smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1ccc(Br)cc1CNC[C@H]1CCC[N@@H+]1CC ZINC000041635172 695764866 /nfs/dbraw/zinc/76/48/66/695764866.db2.gz WSJMXACIHJRHCN-MRXNPFEDSA-N 1 1 351.288 3.035 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCN1CC ZINC000041635172 695764867 /nfs/dbraw/zinc/76/48/67/695764867.db2.gz WSJMXACIHJRHCN-MRXNPFEDSA-N 1 1 351.288 3.035 20 30 FGEDMO Cc1nc(CN2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)cs1 ZINC000123939842 700712352 /nfs/dbraw/zinc/71/23/52/700712352.db2.gz CABZRLQUUCDMNA-OAHLLOKOSA-N 1 1 356.495 3.060 20 30 FGEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1O ZINC000163016430 705307159 /nfs/dbraw/zinc/30/71/59/705307159.db2.gz GHNLNTHLYZAWGD-UHFFFAOYSA-N 1 1 357.841 3.424 20 30 FGEDMO C=CCc1cc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c(O)c(OC)c1 ZINC000189877709 712802910 /nfs/dbraw/zinc/80/29/10/712802910.db2.gz HIXCYZNEMIPRLW-QGZVFWFLSA-N 1 1 359.495 3.153 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c(O)c(OC)c1 ZINC000189877709 712802911 /nfs/dbraw/zinc/80/29/11/712802911.db2.gz HIXCYZNEMIPRLW-QGZVFWFLSA-N 1 1 359.495 3.153 20 30 FGEDMO CN(Cc1cccs1)C(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000192942901 712878324 /nfs/dbraw/zinc/87/83/24/712878324.db2.gz CAZLBRQFFDEIDR-UHFFFAOYSA-N 1 1 361.511 3.212 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247425729 713640593 /nfs/dbraw/zinc/64/05/93/713640593.db2.gz LDBLAMWUFMBKAV-JSGCOSHPSA-N 1 1 372.332 3.339 20 30 FGEDMO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000328856926 713826244 /nfs/dbraw/zinc/82/62/44/713826244.db2.gz XOJRSQQNCGTQFJ-FXUDXRNXSA-N 1 1 355.548 3.011 20 30 FGEDMO C[N@@H+](CCNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C1CCCCC1 ZINC000329162981 713827940 /nfs/dbraw/zinc/82/79/40/713827940.db2.gz FZNOQYZCRFLOGN-KRWDZBQOSA-N 1 1 367.559 3.299 20 30 FGEDMO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nc1 ZINC000522100552 714169976 /nfs/dbraw/zinc/16/99/76/714169976.db2.gz WTSCQTASYRFTAP-GOSISDBHSA-N 1 1 354.841 3.174 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000525615987 714362755 /nfs/dbraw/zinc/36/27/55/714362755.db2.gz SMHIMEIJNMLVCS-OCCSQVGLSA-N 1 1 356.388 3.483 20 30 FGEDMO CC[N@H+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000619666890 714860853 /nfs/dbraw/zinc/86/08/53/714860853.db2.gz ZPDRZMBCJZOGPV-LLVKDONJSA-N 1 1 356.348 3.015 20 30 FGEDMO C[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000619780045 714870483 /nfs/dbraw/zinc/87/04/83/714870483.db2.gz APEZCQZCCDUDHK-CQSZACIVSA-N 1 1 353.853 3.275 20 30 FGEDMO C[C@H](C(=O)NCc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000619780045 714870486 /nfs/dbraw/zinc/87/04/86/714870486.db2.gz APEZCQZCCDUDHK-CQSZACIVSA-N 1 1 353.853 3.275 20 30 FGEDMO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000802652467 724397442 /nfs/dbraw/zinc/39/74/42/724397442.db2.gz GRVIYVODOFBYNR-HNNXBMFYSA-N 1 1 357.479 3.177 20 30 FGEDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000802652467 724397444 /nfs/dbraw/zinc/39/74/44/724397444.db2.gz GRVIYVODOFBYNR-HNNXBMFYSA-N 1 1 357.479 3.177 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000779413058 724412127 /nfs/dbraw/zinc/41/21/27/724412127.db2.gz PIIVBULJZFJVBB-CJNGLKHVSA-N 1 1 367.852 3.370 20 30 FGEDMO C=CCOc1c(Cl)cc(C[NH+]2CCC(CNC(C)=O)CC2)cc1OC ZINC000628153634 716116961 /nfs/dbraw/zinc/11/69/61/716116961.db2.gz YMNGTKPYXWKPJD-UHFFFAOYSA-N 1 1 366.889 3.262 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+](CCOC)[C@H]2CCOC2)cc1OC ZINC000628254101 716130705 /nfs/dbraw/zinc/13/07/05/716130705.db2.gz MQOVHGPLZDZZNT-HNNXBMFYSA-N 1 1 355.862 3.151 20 30 FGEDMO Cc1nc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C#N ZINC001164627241 719079753 /nfs/dbraw/zinc/07/97/53/719079753.db2.gz PZZSBMYMVZHWGP-AEFFLSMTSA-N 1 1 367.884 3.411 20 30 FGEDMO Cc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(C#N)c1 ZINC001164694680 719887174 /nfs/dbraw/zinc/88/71/74/719887174.db2.gz CAXDLRNGLLLLOK-UHFFFAOYSA-N 1 1 368.506 3.195 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccc(Br)cc1 ZINC000662082027 720373426 /nfs/dbraw/zinc/37/34/26/720373426.db2.gz WOZDABGRXGXDSM-OWCLPIDISA-N 1 1 352.272 3.372 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000662086551 720373874 /nfs/dbraw/zinc/37/38/74/720373874.db2.gz VHAHAXJVNRUTPQ-GASCZTMLSA-N 1 1 354.372 3.384 20 30 FGEDMO C=CC[C@]1(C(=O)Nc2cccc(CN3CCSCC3)c2C)CCC[NH2+]1 ZINC000662703386 720453389 /nfs/dbraw/zinc/45/33/89/720453389.db2.gz HGERJNYMOVTMGT-HXUWFJFHSA-N 1 1 359.539 3.181 20 30 FGEDMO C=CCN(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H](C)COC ZINC000663874024 720566000 /nfs/dbraw/zinc/56/60/00/720566000.db2.gz IISYIDGLPPGMNE-IAGOWNOFSA-N 1 1 365.543 3.193 20 30 FGEDMO C=CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@@H](C)COC ZINC000664209227 720608725 /nfs/dbraw/zinc/60/87/25/720608725.db2.gz CKYIYBOLKZFVER-BQFCYCMXSA-N 1 1 365.543 3.364 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(C#N)cc(Cl)n1)[C@H]2C ZINC001164860035 720916125 /nfs/dbraw/zinc/91/61/25/720916125.db2.gz QULRBHVBILWWAW-ZDUSSCGKSA-N 1 1 358.877 3.225 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)CCC3)[C@H]2C ZINC001164864179 721003692 /nfs/dbraw/zinc/00/36/92/721003692.db2.gz YVAUGGGEJZYSGG-HNNXBMFYSA-N 1 1 364.497 3.060 20 30 FGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(C#N)c1F)CC2 ZINC001164792990 721495551 /nfs/dbraw/zinc/49/55/51/721495551.db2.gz XLRHJTXXWDPNDT-UHFFFAOYSA-N 1 1 365.456 3.368 20 30 FGEDMO OC1(c2cccc(F)c2)CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000783857046 724796971 /nfs/dbraw/zinc/79/69/71/724796971.db2.gz RJWOBIUOCULOCA-UHFFFAOYSA-N 1 1 352.207 3.451 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000677176156 721867925 /nfs/dbraw/zinc/86/79/25/721867925.db2.gz CYEIFCYYUICHIN-ZDUSSCGKSA-N 1 1 356.388 3.436 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000677176156 721867928 /nfs/dbraw/zinc/86/79/28/721867928.db2.gz CYEIFCYYUICHIN-ZDUSSCGKSA-N 1 1 356.388 3.436 20 30 FGEDMO N#Cc1c(Cl)cc(Cl)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056192 722019738 /nfs/dbraw/zinc/01/97/38/722019738.db2.gz ZLEDWMBZGUGHFY-UHFFFAOYSA-N 1 1 362.264 3.020 20 30 FGEDMO COc1ccc(NC(=S)NN=Cc2[nH+]c(C)n3ccccc23)cc1F ZINC000727260827 722442732 /nfs/dbraw/zinc/44/27/32/722442732.db2.gz BENTWEITJFCOPN-UHFFFAOYSA-N 1 1 357.414 3.111 20 30 FGEDMO CC(=[NH+]NCCS(C)(=O)=O)c1ccc2c(c1)Nc1ccccc1S2 ZINC000733204069 722493856 /nfs/dbraw/zinc/49/38/56/722493856.db2.gz KDSMSABMBOXPLL-UHFFFAOYSA-N 1 1 361.492 3.253 20 30 FGEDMO CCOCCC[N@H+]1CCC(=NNC(=S)Nc2ccc(C)cc2)[C@@H](C)C1 ZINC000735224434 722513461 /nfs/dbraw/zinc/51/34/61/722513461.db2.gz RIRYPIZAQCUJIQ-INIZCTEOSA-N 1 1 362.543 3.406 20 30 FGEDMO CCCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735308771 722514891 /nfs/dbraw/zinc/51/48/91/722514891.db2.gz RTVWSQBCDDAEPP-UHFFFAOYSA-N 1 1 363.889 3.371 20 30 FGEDMO C#CCNC(=O)C[NH2+][C@H](c1ccc(OCC)cc1)c1cccc(Cl)c1 ZINC000751562148 722813366 /nfs/dbraw/zinc/81/33/66/722813366.db2.gz HPWGXGWOPPVDMN-HXUWFJFHSA-N 1 1 356.853 3.167 20 30 FGEDMO Fc1cc(Br)cc2c1CCC2=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753934654 722919031 /nfs/dbraw/zinc/91/90/31/722919031.db2.gz JLLQOAJCCAWYRX-HUUCEWRRSA-N 1 1 365.250 3.099 20 30 FGEDMO COc1ccc(-c2nc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)cs2)cc1 ZINC000753937397 722919237 /nfs/dbraw/zinc/91/92/37/722919237.db2.gz DHDPCHTTWADPMS-IYBDPMFKSA-N 1 1 355.467 3.013 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754217852 722931482 /nfs/dbraw/zinc/93/14/82/722931482.db2.gz FMPRTPDRKCTCBD-UHFFFAOYSA-N 1 1 358.785 3.104 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754217852 722931483 /nfs/dbraw/zinc/93/14/83/722931483.db2.gz FMPRTPDRKCTCBD-UHFFFAOYSA-N 1 1 358.785 3.104 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000790659166 723164981 /nfs/dbraw/zinc/16/49/81/723164981.db2.gz GSOFOMHMTXSHRK-PBHICJAKSA-N 1 1 352.400 3.388 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785740690 724934527 /nfs/dbraw/zinc/93/45/27/724934527.db2.gz JNDAKIKJRITVCN-OAGGEKHMSA-N 1 1 364.511 3.067 20 30 FGEDMO C[C@@H]1C[N@H+](CCCCNc2cc(Br)cnc2C#N)C[C@H](C)O1 ZINC000787898220 725040319 /nfs/dbraw/zinc/04/03/19/725040319.db2.gz AYLVYPSQPVERRP-BETUJISGSA-N 1 1 367.291 3.017 20 30 FGEDMO C#CCCCS(=O)(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000805099313 725049526 /nfs/dbraw/zinc/04/95/26/725049526.db2.gz SDDOGYBZKVGCEZ-QGZVFWFLSA-N 1 1 356.919 3.056 20 30 FGEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=[NH+]n1cc(Br)cn1 ZINC000811645201 725375649 /nfs/dbraw/zinc/37/56/49/725375649.db2.gz CQONLMGJHHKFKV-SNVBAGLBSA-N 1 1 357.252 3.127 20 30 FGEDMO C#C[C@@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000811865442 725383482 /nfs/dbraw/zinc/38/34/82/725383482.db2.gz CGIFJCSUUYXYBI-QGZVFWFLSA-N 1 1 373.909 3.433 20 30 FGEDMO C#C[C@@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000811865442 725383483 /nfs/dbraw/zinc/38/34/83/725383483.db2.gz CGIFJCSUUYXYBI-QGZVFWFLSA-N 1 1 373.909 3.433 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000811991269 725386863 /nfs/dbraw/zinc/38/68/63/725386863.db2.gz HIUYJFQGVZAAJU-HZPDHXFCSA-N 1 1 363.820 3.349 20 30 FGEDMO CN(CCO)c1ccc(C=[NH+]Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000812461207 725397556 /nfs/dbraw/zinc/39/75/56/725397556.db2.gz KGNNAYPJMPZTQJ-UHFFFAOYSA-N 1 1 353.344 3.460 20 30 FGEDMO C#C[C@@H](NC(=O)NCC[N@H+](CC)CCC(F)(F)F)c1ccc(F)cc1 ZINC000813150718 726844291 /nfs/dbraw/zinc/84/42/91/726844291.db2.gz IIYQJKIKQGRHMH-OAHLLOKOSA-N 1 1 359.367 3.074 20 30 FGEDMO CC(C)(C)OC(=O)NC(=C[NH2+]Nc1ccncc1Cl)CC(F)(F)F ZINC000814869979 727007418 /nfs/dbraw/zinc/00/74/18/727007418.db2.gz HYQKPEOZLUZTQZ-VIFPVBQESA-N 1 1 366.771 3.400 20 30 FGEDMO COCc1nc(Cl)cc(N=NCc2[nH+]c(C(C)C)n3ccccc23)n1 ZINC000814975247 727015204 /nfs/dbraw/zinc/01/52/04/727015204.db2.gz ZCOOMUKRZGVRMF-UHFFFAOYSA-N 1 1 358.833 3.494 20 30 FGEDMO C=CCOCCOC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000815209901 727052727 /nfs/dbraw/zinc/05/27/27/727052727.db2.gz FJJSIJUBBAGISM-QGZVFWFLSA-N 1 1 357.372 3.187 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000818588779 727315346 /nfs/dbraw/zinc/31/53/46/727315346.db2.gz GLMFVPOOAJZDQE-UHFFFAOYSA-N 1 1 361.898 3.077 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)s1 ZINC000819541902 727381717 /nfs/dbraw/zinc/38/17/17/727381717.db2.gz ZTWZVQUQCDDTPY-CHWSQXEVSA-N 1 1 371.959 3.001 20 30 FGEDMO C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1F ZINC000820738400 729023599 /nfs/dbraw/zinc/02/35/99/729023599.db2.gz YDRAGQANFZCGAS-MRRJBJDNSA-N 1 1 351.853 3.278 20 30 FGEDMO C#C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1F ZINC000820755820 729026657 /nfs/dbraw/zinc/02/66/57/729026657.db2.gz RCUFIDWAPCIYEI-WMLDXEAASA-N 1 1 351.853 3.278 20 30 FGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000829788698 729512162 /nfs/dbraw/zinc/51/21/62/729512162.db2.gz DRTWZSZYIDNEIH-CYBMUJFWSA-N 1 1 369.328 3.204 20 30 FGEDMO C#CC1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000830326524 729550412 /nfs/dbraw/zinc/55/04/12/729550412.db2.gz UFUGLLURNBNDPU-UHFFFAOYSA-N 1 1 360.255 3.268 20 30 FGEDMO O=C(N1C[C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2C1)C(F)(F)F ZINC000831571209 729652043 /nfs/dbraw/zinc/65/20/43/729652043.db2.gz KUGFDYLCXFCIJN-HUUCEWRRSA-N 1 1 370.802 3.034 20 30 FGEDMO COC(=O)c1ccc(Cl)c(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844367404 730708603 /nfs/dbraw/zinc/70/86/03/730708603.db2.gz AXTBERPNLYWVTL-SFHVURJKSA-N 1 1 358.825 3.164 20 30 FGEDMO COC(=O)c1ccc(Cl)c(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844367404 730708604 /nfs/dbraw/zinc/70/86/04/730708604.db2.gz AXTBERPNLYWVTL-SFHVURJKSA-N 1 1 358.825 3.164 20 30 FGEDMO C=C(C)CONC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000845605261 730870728 /nfs/dbraw/zinc/87/07/28/730870728.db2.gz IWUNBQYFSLMKQU-IRXDYDNUSA-N 1 1 353.413 3.296 20 30 FGEDMO C=C(C)CONC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000845605261 730870733 /nfs/dbraw/zinc/87/07/33/730870733.db2.gz IWUNBQYFSLMKQU-IRXDYDNUSA-N 1 1 353.413 3.296 20 30 FGEDMO C=C[C@@H](C)ONC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000845633287 730873192 /nfs/dbraw/zinc/87/31/92/730873192.db2.gz OPJVLVBMDCTWMX-IUODEOHRSA-N 1 1 357.376 3.085 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C#Cc3ccccc3)C2)s1 ZINC000846102964 730929154 /nfs/dbraw/zinc/92/91/54/730929154.db2.gz WXFOJHADGYMAPF-LJQANCHMSA-N 1 1 352.503 3.389 20 30 FGEDMO Brc1c(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)oc2ccccc12 ZINC000848406413 731161383 /nfs/dbraw/zinc/16/13/83/731161383.db2.gz DFSYJHCMJHUTRO-VXGBXAGGSA-N 1 1 361.243 3.389 20 30 FGEDMO C#C[C@H]1CCC[N@@H+](CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000848494589 731171135 /nfs/dbraw/zinc/17/11/35/731171135.db2.gz RKFMBTYRMUAGGV-WMLDXEAASA-N 1 1 361.283 3.068 20 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N#CCC1(C[N@@H+]2CCCC[C@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000878921606 736933527 /nfs/dbraw/zinc/93/35/27/736933527.db2.gz VLTWAWUEYXKHME-GJZGRUSLSA-N 1 1 357.420 3.336 20 30 FGEDMO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@@H+](CCOCCC#N)C1 ZINC000879655185 737024250 /nfs/dbraw/zinc/02/42/50/737024250.db2.gz VFMLOEYQOJQRCQ-IBGZPJMESA-N 1 1 353.507 3.180 20 30 FGEDMO N#Cc1ccsc1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882392029 737450384 /nfs/dbraw/zinc/45/03/84/737450384.db2.gz ICMGEGDKRZRPGT-KRWDZBQOSA-N 1 1 352.463 3.156 20 30 FGEDMO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000886759942 739292953 /nfs/dbraw/zinc/29/29/53/739292953.db2.gz UFLSVMVQQMCGFR-ZDUSSCGKSA-N 1 1 354.397 3.018 20 30 FGEDMO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000886771780 739295765 /nfs/dbraw/zinc/29/57/65/739295765.db2.gz NMYKJPJNHXBPMX-CQSZACIVSA-N 1 1 366.889 3.387 20 30 FGEDMO C[C@H]1CN(C(=O)Nc2nc(Cl)c(C#N)s2)CC[N@H+](C2CCC2)C1 ZINC000888422495 739521371 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FGEDMO C[N@@H+](Cc1cncc(C#N)c1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931379428 760846917 /nfs/dbraw/zinc/84/69/17/760846917.db2.gz JCXCNUKJAXHABG-INIZCTEOSA-N 1 1 366.248 3.132 20 30 FGEDMO C[N@H+](Cc1cncc(C#N)c1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000931379428 760846927 /nfs/dbraw/zinc/84/69/27/760846927.db2.gz JCXCNUKJAXHABG-INIZCTEOSA-N 1 1 366.248 3.132 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@H]1C(F)(F)F ZINC000931982240 761026088 /nfs/dbraw/zinc/02/60/88/761026088.db2.gz QNFKCQDOPDFJJY-REWJHTLYSA-N 1 1 361.408 3.456 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@H]1C(F)(F)F ZINC000931982240 761026128 /nfs/dbraw/zinc/02/61/28/761026128.db2.gz QNFKCQDOPDFJJY-REWJHTLYSA-N 1 1 361.408 3.456 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)cc1 ZINC000932193502 761079745 /nfs/dbraw/zinc/07/97/45/761079745.db2.gz HZLUFUKOFWDLKU-FUHWJXTLSA-N 1 1 353.491 3.416 20 30 FGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)c1 ZINC000932816683 761251647 /nfs/dbraw/zinc/25/16/47/761251647.db2.gz YIUGURZMTPPOLZ-SFHVURJKSA-N 1 1 372.266 3.199 20 30 FGEDMO O[C@@H]1CCCC[C@H]1[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932942417 761280526 /nfs/dbraw/zinc/28/05/26/761280526.db2.gz DAYSHDXWEOHYJX-UTINFBMNSA-N 1 1 367.280 3.393 20 30 FGEDMO COC(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@H]([C@H]2CCCO2)C1 ZINC000933180549 761333077 /nfs/dbraw/zinc/33/30/77/761333077.db2.gz NBBLEASPSIQWSP-NZSAHSFTSA-N 1 1 361.869 3.124 20 30 FGEDMO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H]([C@H]2CCCO2)C1 ZINC000933180549 761333091 /nfs/dbraw/zinc/33/30/91/761333091.db2.gz NBBLEASPSIQWSP-NZSAHSFTSA-N 1 1 361.869 3.124 20 30 FGEDMO COc1cc(C#N)ccc1C[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000933241356 761342868 /nfs/dbraw/zinc/34/28/68/761342868.db2.gz KUTIXKVVOMNCEE-MRXNPFEDSA-N 1 1 350.340 3.409 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cncs2)cc1 ZINC000934205107 761560244 /nfs/dbraw/zinc/56/02/44/761560244.db2.gz XULZUDWSVBXIQP-AWEZNQCLSA-N 1 1 358.467 3.139 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1Cl ZINC000960882714 762741643 /nfs/dbraw/zinc/74/16/43/762741643.db2.gz JZWNUAMDNASYFV-SCTDSRPQSA-N 1 1 362.901 3.354 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1Cl ZINC000960882714 762741649 /nfs/dbraw/zinc/74/16/49/762741649.db2.gz JZWNUAMDNASYFV-SCTDSRPQSA-N 1 1 362.901 3.354 20 30 FGEDMO C=C(Cl)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 ZINC000961413595 762748293 /nfs/dbraw/zinc/74/82/93/762748293.db2.gz FERAKSLAEXPGRN-MANSERQUSA-N 1 1 366.933 3.257 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCc1cccs1 ZINC000969037164 762851048 /nfs/dbraw/zinc/85/10/48/762851048.db2.gz AXXGAVVMMSEKHO-UHOSZYNNSA-N 1 1 362.539 3.243 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(Cl)s2)C1 ZINC000972527613 762968480 /nfs/dbraw/zinc/96/84/80/762968480.db2.gz XYTJJNWJRSAYPC-QRTARXTBSA-N 1 1 368.930 3.415 20 30 FGEDMO 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C=CCNC(=O)C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000104079055 495267251 /nfs/dbraw/zinc/26/72/51/495267251.db2.gz KZQCYXPQDALKJC-CYBMUJFWSA-N 1 1 355.301 3.220 20 30 FGEDMO C=CCNc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000129637797 495273209 /nfs/dbraw/zinc/27/32/09/495273209.db2.gz USRUMRQYSADCSC-RDJZCZTQSA-N 1 1 370.522 3.381 20 30 FGEDMO CSCC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nnc2ccccn21 ZINC000119983244 495281784 /nfs/dbraw/zinc/28/17/84/495281784.db2.gz VVWYNSSIMZIURC-MRXNPFEDSA-N 1 1 355.442 3.324 20 30 FGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1ccnc1 ZINC000129746203 495289539 /nfs/dbraw/zinc/28/95/39/495289539.db2.gz UEZBIDCFYQTEPW-KSSFIOAISA-N 1 1 371.872 3.320 20 30 FGEDMO C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccncc1 ZINC000129764046 495291898 /nfs/dbraw/zinc/29/18/98/495291898.db2.gz PCVVAJZRZKQDBH-GOSISDBHSA-N 1 1 362.477 3.181 20 30 FGEDMO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963225 495319357 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351.454 3.073 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCC2CCOCC2)cc1 ZINC000120749204 495449886 /nfs/dbraw/zinc/44/98/86/495449886.db2.gz JBEARLBWKZXCFW-GOSISDBHSA-N 1 1 357.498 3.379 20 30 FGEDMO CCCN(C(=O)c1ccc(C#N)nc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000115052400 495457480 /nfs/dbraw/zinc/45/74/80/495457480.db2.gz KKGGFBGIZZJUOW-NRFANRHFSA-N 1 1 362.477 3.470 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139823924 495483977 /nfs/dbraw/zinc/48/39/77/495483977.db2.gz JTQDLGOYCUBYAS-AEFFLSMTSA-N 1 1 359.539 3.319 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C2Cc3ccccc3C2)c(OC)c1 ZINC000141159559 495503528 /nfs/dbraw/zinc/50/35/28/495503528.db2.gz YDMIRJLXRCMZOP-OAQYLSRUSA-N 1 1 367.489 3.263 20 30 FGEDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000121052334 495513213 /nfs/dbraw/zinc/51/32/13/495513213.db2.gz HQOAPOWVVKVKGI-GOSISDBHSA-N 1 1 374.529 3.464 20 30 FGEDMO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000115535036 495514264 /nfs/dbraw/zinc/51/42/64/495514264.db2.gz CWSFXSRXGHKAFZ-LPHOPBHVSA-N 1 1 360.417 3.105 20 30 FGEDMO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000115535036 495514267 /nfs/dbraw/zinc/51/42/67/495514267.db2.gz CWSFXSRXGHKAFZ-LPHOPBHVSA-N 1 1 360.417 3.105 20 30 FGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)s1 ZINC000106936695 495514825 /nfs/dbraw/zinc/51/48/25/495514825.db2.gz GUSNRSPRMNNJSI-YOEHRIQHSA-N 1 1 359.495 3.259 20 30 FGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131275035 495516160 /nfs/dbraw/zinc/51/61/60/495516160.db2.gz ZVLNZQVYEZBWCJ-SNRMKQJTSA-N 1 1 373.497 3.217 20 30 FGEDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000574512826 505789953 /nfs/dbraw/zinc/78/99/53/505789953.db2.gz XGGNDIYIHLMXDI-LJQANCHMSA-N 1 1 351.450 3.319 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185440222 495577054 /nfs/dbraw/zinc/57/70/54/495577054.db2.gz SFPFXVGQHAETQM-KXBFYZLASA-N 1 1 358.461 3.051 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185440242 495577104 /nfs/dbraw/zinc/57/71/04/495577104.db2.gz SFPFXVGQHAETQM-DNVCBOLYSA-N 1 1 358.461 3.051 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158812817 495594124 /nfs/dbraw/zinc/59/41/24/495594124.db2.gz LCJIDRROAJSZCW-SFHLNBCPSA-N 1 1 368.525 3.046 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185497384 495600367 /nfs/dbraw/zinc/60/03/67/495600367.db2.gz HGKBWOLVBIQPKU-HZPDHXFCSA-N 1 1 368.506 3.326 20 30 FGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000170790290 495605998 /nfs/dbraw/zinc/60/59/98/495605998.db2.gz FPSGGMHPLNFQGF-FQEVSTJZSA-N 1 1 366.440 3.037 20 30 FGEDMO C=C(C)COc1cc(C[NH+]2CCN(c3ccccn3)CC2)ccc1OC ZINC000158906676 495612909 /nfs/dbraw/zinc/61/29/09/495612909.db2.gz VNXJMQRDXXOIDI-UHFFFAOYSA-N 1 1 353.466 3.367 20 30 FGEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179502373 495618855 /nfs/dbraw/zinc/61/88/55/495618855.db2.gz AWBQSSBWQLVTKO-QGZVFWFLSA-N 1 1 351.454 3.202 20 30 FGEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179502373 495618862 /nfs/dbraw/zinc/61/88/62/495618862.db2.gz AWBQSSBWQLVTKO-QGZVFWFLSA-N 1 1 351.454 3.202 20 30 FGEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179502373 495618866 /nfs/dbraw/zinc/61/88/66/495618866.db2.gz AWBQSSBWQLVTKO-QGZVFWFLSA-N 1 1 351.454 3.202 20 30 FGEDMO C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCc2sccc2C1 ZINC000176404873 495639381 /nfs/dbraw/zinc/63/93/81/495639381.db2.gz VCZXFMODYSWQJG-NSHDSACASA-N 1 1 361.417 3.075 20 30 FGEDMO C[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)[N@H+]1CCc2sccc2C1 ZINC000176404873 495639385 /nfs/dbraw/zinc/63/93/85/495639385.db2.gz VCZXFMODYSWQJG-NSHDSACASA-N 1 1 361.417 3.075 20 30 FGEDMO C[C@@H](c1nccs1)N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000185610363 495642967 /nfs/dbraw/zinc/64/29/67/495642967.db2.gz LDUHBJGOKOGUGU-KRWDZBQOSA-N 1 1 369.538 3.372 20 30 FGEDMO C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000154579053 495660825 /nfs/dbraw/zinc/66/08/25/495660825.db2.gz ZBGLOXRQXXSXSW-LBPRGKRZSA-N 1 1 359.882 3.450 20 30 FGEDMO C[C@@H](CNC(=O)c1ccc(C#N)c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000154579053 495660831 /nfs/dbraw/zinc/66/08/31/495660831.db2.gz ZBGLOXRQXXSXSW-LBPRGKRZSA-N 1 1 359.882 3.450 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCCN(c4ccccc4)CC3)C2=O)cc1 ZINC000182681844 495662364 /nfs/dbraw/zinc/66/23/64/495662364.db2.gz KGFRWQQFCLCMSE-JOCHJYFZSA-N 1 1 374.488 3.266 20 30 FGEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000179656987 495678254 /nfs/dbraw/zinc/67/82/54/495678254.db2.gz NMOVTODBSBNPJY-AWEZNQCLSA-N 1 1 367.424 3.206 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC000179669077 495684298 /nfs/dbraw/zinc/68/42/98/495684298.db2.gz PKPCGOLFCFKGOD-UHFFFAOYSA-N 1 1 360.866 3.264 20 30 FGEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000574549189 505799127 /nfs/dbraw/zinc/79/91/27/505799127.db2.gz OXMRBPCCDMBVJB-XLIONFOSSA-N 1 1 354.498 3.355 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173985982 495776996 /nfs/dbraw/zinc/77/69/96/495776996.db2.gz WIVJWEUPXKSJHZ-MJGOQNOKSA-N 1 1 363.461 3.424 20 30 FGEDMO CC(C)[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(C#N)cc1 ZINC000159769110 495804974 /nfs/dbraw/zinc/80/49/74/495804974.db2.gz NVHMODBIPAVSGD-UHFFFAOYSA-N 1 1 367.497 3.438 20 30 FGEDMO CC(C)[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(C#N)cc1 ZINC000159769110 495804978 /nfs/dbraw/zinc/80/49/78/495804978.db2.gz NVHMODBIPAVSGD-UHFFFAOYSA-N 1 1 367.497 3.438 20 30 FGEDMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@H](C)c1ccc(OCC#N)cc1 ZINC000180050341 495837956 /nfs/dbraw/zinc/83/79/56/495837956.db2.gz ZZCHLQYNOIBFDY-OAHLLOKOSA-N 1 1 352.438 3.302 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000571765509 505809961 /nfs/dbraw/zinc/80/99/61/505809961.db2.gz ALNJXXXQMZDWNS-QGZVFWFLSA-N 1 1 364.405 3.317 20 30 FGEDMO CC#CCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000183229087 495888290 /nfs/dbraw/zinc/88/82/90/495888290.db2.gz HJPHUJJHEJLWJV-UHFFFAOYSA-N 1 1 354.281 3.280 20 30 FGEDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)cc1 ZINC000155257907 495894318 /nfs/dbraw/zinc/89/43/18/495894318.db2.gz ZKBNCVYAPPKODO-WMZOPIPTSA-N 1 1 355.482 3.216 20 30 FGEDMO CC(C)(O)C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000180201722 495903185 /nfs/dbraw/zinc/90/31/85/495903185.db2.gz WLUFPOZYVIQJSX-UHFFFAOYSA-N 1 1 357.479 3.221 20 30 FGEDMO C[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000151656766 495908409 /nfs/dbraw/zinc/90/84/09/495908409.db2.gz XXMTUDLDZJMUHY-UWJYYQICSA-N 1 1 363.461 3.027 20 30 FGEDMO C[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000151656766 495908411 /nfs/dbraw/zinc/90/84/11/495908411.db2.gz XXMTUDLDZJMUHY-UWJYYQICSA-N 1 1 363.461 3.027 20 30 FGEDMO CC(C)(O)C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000180225304 495914276 /nfs/dbraw/zinc/91/42/76/495914276.db2.gz ZTALLGWZDCMHQW-UHFFFAOYSA-N 1 1 371.868 3.423 20 30 FGEDMO CC(C)(O)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000180225304 495914282 /nfs/dbraw/zinc/91/42/82/495914282.db2.gz ZTALLGWZDCMHQW-UHFFFAOYSA-N 1 1 371.868 3.423 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000151677838 495916923 /nfs/dbraw/zinc/91/69/23/495916923.db2.gz UGUJQKCNGZNZJN-WBVHZDCISA-N 1 1 373.840 3.331 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000151677838 495916929 /nfs/dbraw/zinc/91/69/29/495916929.db2.gz UGUJQKCNGZNZJN-WBVHZDCISA-N 1 1 373.840 3.331 20 30 FGEDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000155315422 495916976 /nfs/dbraw/zinc/91/69/76/495916976.db2.gz USMUSZLLVWNOIP-IBGZPJMESA-N 1 1 363.461 3.431 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580682020 505812891 /nfs/dbraw/zinc/81/28/91/505812891.db2.gz SLTIEKJMKCJJCT-NJAFHUGGSA-N 1 1 354.853 3.058 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580682020 505812894 /nfs/dbraw/zinc/81/28/94/505812894.db2.gz SLTIEKJMKCJJCT-NJAFHUGGSA-N 1 1 354.853 3.058 20 30 FGEDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000568947559 505814389 /nfs/dbraw/zinc/81/43/89/505814389.db2.gz WOSFPYNOZXQACU-LJQANCHMSA-N 1 1 359.433 3.305 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c(F)cccc1C#N ZINC000571785590 505814829 /nfs/dbraw/zinc/81/48/29/505814829.db2.gz WUBYMOYXROPPDT-IIBYNOLFSA-N 1 1 365.452 3.267 20 30 FGEDMO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1O ZINC000177226929 495985705 /nfs/dbraw/zinc/98/57/05/495985705.db2.gz ZBHVIUFXLNCKFX-TZQQIIETSA-N 1 1 373.497 3.152 20 30 FGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1O ZINC000177226929 495985710 /nfs/dbraw/zinc/98/57/10/495985710.db2.gz ZBHVIUFXLNCKFX-TZQQIIETSA-N 1 1 373.497 3.152 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])C1CC1 ZINC000186416794 495991313 /nfs/dbraw/zinc/99/13/13/495991313.db2.gz FKCDWTIYWMSDSQ-KRWDZBQOSA-N 1 1 351.410 3.184 20 30 FGEDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177257956 495996554 /nfs/dbraw/zinc/99/65/54/495996554.db2.gz ZUPFNKQFIWXXRI-QGZVFWFLSA-N 1 1 364.411 3.295 20 30 FGEDMO N#C[C@H](c1ccccc1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174578478 496018703 /nfs/dbraw/zinc/01/87/03/496018703.db2.gz JIUYXVMXVJWPSP-HXUWFJFHSA-N 1 1 350.422 3.020 20 30 FGEDMO CCCC[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160766523 496038071 /nfs/dbraw/zinc/03/80/71/496038071.db2.gz OUXYTPAVNVDMGG-SFHVURJKSA-N 1 1 364.511 3.158 20 30 FGEDMO CCCC[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160766523 496038074 /nfs/dbraw/zinc/03/80/74/496038074.db2.gz OUXYTPAVNVDMGG-SFHVURJKSA-N 1 1 364.511 3.158 20 30 FGEDMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000160845817 496053077 /nfs/dbraw/zinc/05/30/77/496053077.db2.gz SCPKOLBPMXHPJJ-UHFFFAOYSA-N 1 1 351.425 3.400 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186670127 496100534 /nfs/dbraw/zinc/10/05/34/496100534.db2.gz NQVBGPSGSCUULD-IBGZPJMESA-N 1 1 353.447 3.080 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2c1 ZINC000180798275 496151862 /nfs/dbraw/zinc/15/18/62/496151862.db2.gz LTDYNCOGAQCMEO-CQSZACIVSA-N 1 1 374.370 3.258 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](n4ccc(C(F)(F)F)n4)C3)n2c1 ZINC000180798275 496151864 /nfs/dbraw/zinc/15/18/64/496151864.db2.gz LTDYNCOGAQCMEO-CQSZACIVSA-N 1 1 374.370 3.258 20 30 FGEDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000186811002 496163098 /nfs/dbraw/zinc/16/30/98/496163098.db2.gz VLCUMJZMLHBBLB-UHFFFAOYSA-N 1 1 363.461 3.303 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1C ZINC000152493164 496167413 /nfs/dbraw/zinc/16/74/13/496167413.db2.gz SZOGHJALVSNXIV-QGZVFWFLSA-N 1 1 367.497 3.280 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1C ZINC000152493164 496167419 /nfs/dbraw/zinc/16/74/19/496167419.db2.gz SZOGHJALVSNXIV-QGZVFWFLSA-N 1 1 367.497 3.280 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CC1CCOCC1 ZINC000156144115 496169623 /nfs/dbraw/zinc/16/96/23/496169623.db2.gz BRLUZNKOVNUDQF-HNNXBMFYSA-N 1 1 361.511 3.378 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)nc1 ZINC000177738029 496177902 /nfs/dbraw/zinc/17/79/02/496177902.db2.gz RSRDXNQNVXZSDP-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)nc1 ZINC000177738029 496177907 /nfs/dbraw/zinc/17/79/07/496177907.db2.gz RSRDXNQNVXZSDP-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO Cn1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180906754 496194625 /nfs/dbraw/zinc/19/46/25/496194625.db2.gz ZSRVMSMQKUDLQJ-QFIPXVFZSA-N 1 1 372.472 3.402 20 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496425048 /nfs/dbraw/zinc/42/50/48/496425048.db2.gz GPNMSDHLZMRIKQ-CSODHUTKSA-N 1 1 359.514 3.249 20 30 FGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000153340992 496425526 /nfs/dbraw/zinc/42/55/26/496425526.db2.gz GPNMSDHLZMRIKQ-FIKGOQFSSA-N 1 1 359.514 3.249 20 30 FGEDMO N#Cc1ccc(OCC[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1 ZINC000181533500 496435575 /nfs/dbraw/zinc/43/55/75/496435575.db2.gz ZFQTYKXCSIAILL-UHFFFAOYSA-N 1 1 371.803 3.100 20 30 FGEDMO N#Cc1ccc(SCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000153406679 496445872 /nfs/dbraw/zinc/44/58/72/496445872.db2.gz XLBJDHAZKHZMTD-APWZRJJASA-N 1 1 355.507 3.126 20 30 FGEDMO CC[C@]1(CO)CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000187586670 496500560 /nfs/dbraw/zinc/50/05/60/496500560.db2.gz GDHCXERLICZDSW-NRFANRHFSA-N 1 1 353.466 3.222 20 30 FGEDMO CC[C@]1(CO)CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000187586670 496500566 /nfs/dbraw/zinc/50/05/66/496500566.db2.gz GDHCXERLICZDSW-NRFANRHFSA-N 1 1 353.466 3.222 20 30 FGEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C1COC1 ZINC000569086643 505849561 /nfs/dbraw/zinc/84/95/61/505849561.db2.gz YHUVNCAFWDXZKC-ZDUSSCGKSA-N 1 1 361.511 3.182 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000187673531 496530615 /nfs/dbraw/zinc/53/06/15/496530615.db2.gz GPPMXLHBHOCILC-LBPRGKRZSA-N 1 1 373.254 3.347 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000187673531 496530619 /nfs/dbraw/zinc/53/06/19/496530619.db2.gz GPPMXLHBHOCILC-LBPRGKRZSA-N 1 1 373.254 3.347 20 30 FGEDMO N#Cc1ccc(CSCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000153680411 496543755 /nfs/dbraw/zinc/54/37/55/496543755.db2.gz JFYAAARXHOZOEB-ICSRJNTNSA-N 1 1 369.534 3.267 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175843036 496568567 /nfs/dbraw/zinc/56/85/67/496568567.db2.gz BRFDXCKXFBKVCA-DLBZAZTESA-N 1 1 355.463 3.146 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175843036 496568570 /nfs/dbraw/zinc/56/85/70/496568570.db2.gz BRFDXCKXFBKVCA-DLBZAZTESA-N 1 1 355.463 3.146 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@]4(CCOC4)C3)sc2C1 ZINC000153860725 496604796 /nfs/dbraw/zinc/60/47/96/496604796.db2.gz UGVAKBOFDBTOHI-VLIAUNLRSA-N 1 1 373.522 3.186 20 30 FGEDMO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185076780 496649549 /nfs/dbraw/zinc/64/95/49/496649549.db2.gz BCDVCRZCGSZFFF-YVEFUNNKSA-N 1 1 352.369 3.132 20 30 FGEDMO CC[N@H+]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000158209390 496651152 /nfs/dbraw/zinc/65/11/52/496651152.db2.gz LUOPDUAOOCLFSH-HNNXBMFYSA-N 1 1 374.554 3.243 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000182100789 496670819 /nfs/dbraw/zinc/67/08/19/496670819.db2.gz MOJIRXNOSINLHB-QGZVFWFLSA-N 1 1 367.518 3.428 20 30 FGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000176070488 496671068 /nfs/dbraw/zinc/67/10/68/496671068.db2.gz NJGKQPBWXVAPLN-AWEZNQCLSA-N 1 1 366.412 3.498 20 30 FGEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000176070469 496671263 /nfs/dbraw/zinc/67/12/63/496671263.db2.gz NJGKQPBWXVAPLN-CQSZACIVSA-N 1 1 366.412 3.498 20 30 FGEDMO COC(=O)[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000188106014 496686386 /nfs/dbraw/zinc/68/63/86/496686386.db2.gz HSJJJJQQOUJQSU-LPHOPBHVSA-N 1 1 366.465 3.095 20 30 FGEDMO CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000154140116 496694184 /nfs/dbraw/zinc/69/41/84/496694184.db2.gz ZHIUYLKGIJDQAW-QGZVFWFLSA-N 1 1 355.463 3.256 20 30 FGEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000154140116 496694185 /nfs/dbraw/zinc/69/41/85/496694185.db2.gz ZHIUYLKGIJDQAW-QGZVFWFLSA-N 1 1 355.463 3.256 20 30 FGEDMO CCCn1ccnc1CCC[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000277350299 496745311 /nfs/dbraw/zinc/74/53/11/496745311.db2.gz WQDQLLAPGNTDTE-UHFFFAOYSA-N 1 1 356.470 3.117 20 30 FGEDMO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)NCc1ccc(C#N)cc1)CCC2 ZINC000268634299 496751306 /nfs/dbraw/zinc/75/13/06/496751306.db2.gz CDMYEFIFTAGEBA-KRWDZBQOSA-N 1 1 368.506 3.203 20 30 FGEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)NCc1ccc(C#N)cc1)CCC2 ZINC000268634299 496751310 /nfs/dbraw/zinc/75/13/10/496751310.db2.gz CDMYEFIFTAGEBA-KRWDZBQOSA-N 1 1 368.506 3.203 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(F)c1C#N ZINC000188338604 496756506 /nfs/dbraw/zinc/75/65/06/496756506.db2.gz KYYOEAVHNFUFLV-KRWDZBQOSA-N 1 1 351.425 3.291 20 30 FGEDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191479795 496777566 /nfs/dbraw/zinc/77/75/66/496777566.db2.gz ORMGUBJKCHVULG-MOPGFXCFSA-N 1 1 361.489 3.472 20 30 FGEDMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000191504244 496786912 /nfs/dbraw/zinc/78/69/12/496786912.db2.gz ZNHRIXSXOOUSDX-KRWDZBQOSA-N 1 1 371.506 3.365 20 30 FGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000191504244 496786919 /nfs/dbraw/zinc/78/69/19/496786919.db2.gz ZNHRIXSXOOUSDX-KRWDZBQOSA-N 1 1 371.506 3.365 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)CN1CC[N@H+](C)CC12CCCCC2 ZINC000247174935 496798330 /nfs/dbraw/zinc/79/83/30/496798330.db2.gz VMDMJYBPQDLEBQ-HXUWFJFHSA-N 1 1 358.526 3.105 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(C)CC12CCCCC2 ZINC000247174935 496798336 /nfs/dbraw/zinc/79/83/36/496798336.db2.gz VMDMJYBPQDLEBQ-HXUWFJFHSA-N 1 1 358.526 3.105 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(C)CC12CCCCC2 ZINC000247174935 496798339 /nfs/dbraw/zinc/79/83/39/496798339.db2.gz VMDMJYBPQDLEBQ-HXUWFJFHSA-N 1 1 358.526 3.105 20 30 FGEDMO C=CCC1(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CCC1 ZINC000188488181 496807588 /nfs/dbraw/zinc/80/75/88/496807588.db2.gz QSFVIEGHLMZIBW-FQEVSTJZSA-N 1 1 355.526 3.228 20 30 FGEDMO C=CCC1(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000188488181 496807594 /nfs/dbraw/zinc/80/75/94/496807594.db2.gz QSFVIEGHLMZIBW-FQEVSTJZSA-N 1 1 355.526 3.228 20 30 FGEDMO C=CCC1(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000188488181 496807598 /nfs/dbraw/zinc/80/75/98/496807598.db2.gz QSFVIEGHLMZIBW-FQEVSTJZSA-N 1 1 355.526 3.228 20 30 FGEDMO CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268989594 496843784 /nfs/dbraw/zinc/84/37/84/496843784.db2.gz RMEPBMWUSOGDEM-WBVHZDCISA-N 1 1 366.465 3.412 20 30 FGEDMO CC(C)CC[C@H]1CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268989594 496843787 /nfs/dbraw/zinc/84/37/87/496843787.db2.gz RMEPBMWUSOGDEM-WBVHZDCISA-N 1 1 366.465 3.412 20 30 FGEDMO C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000247563294 496890208 /nfs/dbraw/zinc/89/02/08/496890208.db2.gz VCHLQLAEAVGHDM-MSQSPTIYSA-N 1 1 369.509 3.498 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)[C@@H](c2ccccc2)CO1 ZINC000247710400 496909225 /nfs/dbraw/zinc/90/92/25/496909225.db2.gz ZZXDWXWMTGKXHK-WMLDXEAASA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H](c2ccccc2)CO1 ZINC000247710400 496909229 /nfs/dbraw/zinc/90/92/29/496909229.db2.gz ZZXDWXWMTGKXHK-WMLDXEAASA-N 1 1 355.463 3.410 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000248035854 496945973 /nfs/dbraw/zinc/94/59/73/496945973.db2.gz LGRLKHKYRYNCMC-TZIWHRDSSA-N 1 1 365.502 3.353 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000269440259 496947854 /nfs/dbraw/zinc/94/78/54/496947854.db2.gz NMWAWQSYUMTPRF-BMGDILEWSA-N 1 1 359.470 3.232 20 30 FGEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000264656060 496954731 /nfs/dbraw/zinc/95/47/31/496954731.db2.gz HPXWJUDVENJYBG-IBGZPJMESA-N 1 1 357.498 3.344 20 30 FGEDMO C=C(Br)C[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000269574545 496972699 /nfs/dbraw/zinc/97/26/99/496972699.db2.gz BXUBALCLKZEXIK-UHFFFAOYSA-N 1 1 355.251 3.063 20 30 FGEDMO C#CC[NH+]1CCC(c2nc(Cc3nc4ccccc4n3C(F)F)no2)CC1 ZINC000278138088 497017740 /nfs/dbraw/zinc/01/77/40/497017740.db2.gz QLJHEXJNJJYKID-UHFFFAOYSA-N 1 1 371.391 3.218 20 30 FGEDMO CSCC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nnc2ccccn21 ZINC000192180468 497024647 /nfs/dbraw/zinc/02/46/47/497024647.db2.gz GOHRASLYSZTSKN-MRXNPFEDSA-N 1 1 355.442 3.324 20 30 FGEDMO CC(C)[C@@H]1CCC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000265152196 497058475 /nfs/dbraw/zinc/05/84/75/497058475.db2.gz SYBILCCQXUEDOZ-WBVHZDCISA-N 1 1 366.465 3.270 20 30 FGEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000265152196 497058477 /nfs/dbraw/zinc/05/84/77/497058477.db2.gz SYBILCCQXUEDOZ-WBVHZDCISA-N 1 1 366.465 3.270 20 30 FGEDMO C[N@@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000278280864 497061754 /nfs/dbraw/zinc/06/17/54/497061754.db2.gz ZQVFTOLLDGYNFI-UHFFFAOYSA-N 1 1 372.513 3.114 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000248651671 497073022 /nfs/dbraw/zinc/07/30/22/497073022.db2.gz SUOLMTGNJXKPJA-PZJWPPBQSA-N 1 1 366.461 3.435 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCSC[C@@H](C)C1 ZINC000248999826 497148867 /nfs/dbraw/zinc/14/88/67/497148867.db2.gz IIGDDMPSDQYEID-JKSUJKDBSA-N 1 1 361.511 3.015 20 30 FGEDMO C=CCC[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccccc1 ZINC000249079805 497161916 /nfs/dbraw/zinc/16/19/16/497161916.db2.gz CLBDQXFNUALEGE-IEBWSBKVSA-N 1 1 359.514 3.181 20 30 FGEDMO N#Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccn1 ZINC000192674287 497181632 /nfs/dbraw/zinc/18/16/32/497181632.db2.gz GHUPVNVQLGGXJK-GOSISDBHSA-N 1 1 354.841 3.174 20 30 FGEDMO C[N@H+]1Cc2ccc(NCc3cn(CCC#N)nc3-c3ccncc3)cc2C1 ZINC000278670781 497185575 /nfs/dbraw/zinc/18/55/75/497185575.db2.gz OBKJJJVVFQAQHS-UHFFFAOYSA-N 1 1 358.449 3.416 20 30 FGEDMO C=CC[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000249278657 497185605 /nfs/dbraw/zinc/18/56/05/497185605.db2.gz OCMMQLCUUZCFNJ-IUPYZPJSSA-N 1 1 367.537 3.116 20 30 FGEDMO CC(C)[N@@H+](CCc1nccs1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192706763 497190533 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3.228 20 30 FGEDMO C=CCC1(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC000250744690 497269915 /nfs/dbraw/zinc/26/99/15/497269915.db2.gz QSFVIEGHLMZIBW-HXUWFJFHSA-N 1 1 355.526 3.228 20 30 FGEDMO C=CCC1(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC000250744690 497269920 /nfs/dbraw/zinc/26/99/20/497269920.db2.gz QSFVIEGHLMZIBW-HXUWFJFHSA-N 1 1 355.526 3.228 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000252652750 497315988 /nfs/dbraw/zinc/31/59/88/497315988.db2.gz FEJTWOIJRUQAAF-SCTDSRPQSA-N 1 1 361.555 3.067 20 30 FGEDMO N#CCCn1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(-c2ccccc2)n1 ZINC000252802653 497321295 /nfs/dbraw/zinc/32/12/95/497321295.db2.gz PJYUOVOTWLXMQM-RTBURBONSA-N 1 1 368.506 3.170 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c(-c2ccccc2)n1 ZINC000252802653 497321301 /nfs/dbraw/zinc/32/13/01/497321301.db2.gz PJYUOVOTWLXMQM-RTBURBONSA-N 1 1 368.506 3.170 20 30 FGEDMO COc1cc2c(cc1OC)C[N@@H+](CCCOc1cccc(C#N)c1)CC2 ZINC000193229409 497328373 /nfs/dbraw/zinc/32/83/73/497328373.db2.gz HKZGDGJVTLWALA-UHFFFAOYSA-N 1 1 352.434 3.403 20 30 FGEDMO CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000245441864 497408055 /nfs/dbraw/zinc/40/80/55/497408055.db2.gz VUMDUAWQDZQLGU-WMLDXEAASA-N 1 1 374.554 3.099 20 30 FGEDMO CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000245441864 497408060 /nfs/dbraw/zinc/40/80/60/497408060.db2.gz VUMDUAWQDZQLGU-WMLDXEAASA-N 1 1 374.554 3.099 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(c3ncc[nH]3)CC2)c1C ZINC000266750038 497411806 /nfs/dbraw/zinc/41/18/06/497411806.db2.gz NUJYZBOUCBLXNZ-UHFFFAOYSA-N 1 1 365.481 3.153 20 30 FGEDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279463645 497446114 /nfs/dbraw/zinc/44/61/14/497446114.db2.gz URLMDCYFMBMASB-IBGZPJMESA-N 1 1 353.470 3.106 20 30 FGEDMO CN(C(=O)c1cc(C#N)cs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245687433 497502154 /nfs/dbraw/zinc/50/21/54/497502154.db2.gz ISRRPYKRIMQIRC-ZWKOTPCHSA-N 1 1 374.554 3.029 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000245701402 497508289 /nfs/dbraw/zinc/50/82/89/497508289.db2.gz DDBKAIPJROJPIN-AZUAARDMSA-N 1 1 350.466 3.465 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1F ZINC000190616931 497547938 /nfs/dbraw/zinc/54/79/38/497547938.db2.gz UNECNMPEJLQGGF-DJJJIMSYSA-N 1 1 355.388 3.288 20 30 FGEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCCC[C@H]1O ZINC000245911100 497568280 /nfs/dbraw/zinc/56/82/80/497568280.db2.gz FUPPCICZHNJHOE-AZUAARDMSA-N 1 1 352.482 3.447 20 30 FGEDMO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccccc3C#N)CC2)cs1 ZINC000267661037 497596134 /nfs/dbraw/zinc/59/61/34/497596134.db2.gz CRRGUMXRAAJEBR-INIZCTEOSA-N 1 1 370.522 3.430 20 30 FGEDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](Cc3ccccc3C#N)CC2)cs1 ZINC000267661037 497596138 /nfs/dbraw/zinc/59/61/38/497596138.db2.gz CRRGUMXRAAJEBR-INIZCTEOSA-N 1 1 370.522 3.430 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)o2)c1 ZINC000575085736 505917244 /nfs/dbraw/zinc/91/72/44/505917244.db2.gz HHENZXKGMBWWDK-RCCFBDPRSA-N 1 1 352.438 3.124 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000246108445 497624313 /nfs/dbraw/zinc/62/43/13/497624313.db2.gz XFFMAXMOFOAUQH-RBUKOAKNSA-N 1 1 350.418 3.200 20 30 FGEDMO C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1=CC[N@@H+](C)CC1 ZINC000272664472 497695235 /nfs/dbraw/zinc/69/52/35/497695235.db2.gz IVLRUYZJXFULQI-KRWDZBQOSA-N 1 1 360.461 3.253 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000246342763 497702266 /nfs/dbraw/zinc/70/22/66/497702266.db2.gz JCBPSAJYJKWZPX-FXAWDEMLSA-N 1 1 354.498 3.354 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246408753 497724538 /nfs/dbraw/zinc/72/45/38/497724538.db2.gz BWADYBDWYRDDFL-DLBZAZTESA-N 1 1 356.422 3.127 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)cc1OC ZINC000191175459 497734014 /nfs/dbraw/zinc/73/40/14/497734014.db2.gz GTWNDZCUHCBGBX-IUODEOHRSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C)[C@H]2CO)cc1OC ZINC000191175459 497734018 /nfs/dbraw/zinc/73/40/18/497734018.db2.gz GTWNDZCUHCBGBX-IUODEOHRSA-N 1 1 370.287 3.225 20 30 FGEDMO N#Cc1ccc(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000246509889 497758851 /nfs/dbraw/zinc/75/88/51/497758851.db2.gz IETJMUXCZQZXND-KXBFYZLASA-N 1 1 372.900 3.099 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246521291 497762412 /nfs/dbraw/zinc/76/24/12/497762412.db2.gz PHIGJAMUXWJLKM-KSSFIOAISA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246521291 497762415 /nfs/dbraw/zinc/76/24/15/497762415.db2.gz PHIGJAMUXWJLKM-KSSFIOAISA-N 1 1 355.463 3.410 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCSCc2ccccc2C#N)[C@@H](C)C1 ZINC000246555878 497773221 /nfs/dbraw/zinc/77/32/21/497773221.db2.gz XOPMVXTWVMFFHL-LPHOPBHVSA-N 1 1 374.554 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ZINC000430188107 500206146 /nfs/dbraw/zinc/20/61/46/500206146.db2.gz REEJGWJIWJSCHI-KRWDZBQOSA-N 1 1 359.376 3.250 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)CNc1cccc(C#N)c1)c1ccccc1Cl ZINC000426002129 500224156 /nfs/dbraw/zinc/22/41/56/500224156.db2.gz OABPZDVZBAQWID-SFHVURJKSA-N 1 1 356.857 3.043 20 30 FGEDMO CC1(C)CN(C(=O)NCc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000422209359 500234208 /nfs/dbraw/zinc/23/42/08/500234208.db2.gz AWCMXVPIQZXCSS-UHFFFAOYSA-N 1 1 368.506 3.426 20 30 FGEDMO N#Cc1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000576554859 506185314 /nfs/dbraw/zinc/18/53/14/506185314.db2.gz FHFDLPBYCYUTQP-UHFFFAOYSA-N 1 1 352.413 3.090 20 30 FGEDMO C[C@H]1C[C@@H](CCNC(=O)NCC2(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000430890602 500302637 /nfs/dbraw/zinc/30/26/37/500302637.db2.gz UFLYWSSODUCVJB-PKOBYXMFSA-N 1 1 354.498 3.280 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419396289 500360836 /nfs/dbraw/zinc/36/08/36/500360836.db2.gz CKQRZNYZMITRID-UZLBHIALSA-N 1 1 354.498 3.499 20 30 FGEDMO C=CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000427261598 500375086 /nfs/dbraw/zinc/37/50/86/500375086.db2.gz ZFDGWEHUVDRSHI-JTHBVZDNSA-N 1 1 364.489 3.100 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000431616264 500398807 /nfs/dbraw/zinc/39/88/07/500398807.db2.gz FBOXVDSSPLPLGX-SJLPKXTDSA-N 1 1 371.506 3.200 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000431616264 500398810 /nfs/dbraw/zinc/39/88/10/500398810.db2.gz FBOXVDSSPLPLGX-SJLPKXTDSA-N 1 1 371.506 3.200 20 30 FGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000424188798 500465670 /nfs/dbraw/zinc/46/56/70/500465670.db2.gz CKVSCKSICLVMEC-WCBMZHEXSA-N 1 1 359.065 3.388 20 30 FGEDMO C=CCc1cc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)cc(OC)c1OC ZINC000576609924 506198420 /nfs/dbraw/zinc/19/84/20/506198420.db2.gz ZMFHNTQYIQDJOY-UHFFFAOYSA-N 1 1 372.509 3.380 20 30 FGEDMO CC[C@H](CNC(=O)NCc1ccc(C#N)s1)[N@H+]1CCc2ccccc2C1 ZINC000420792123 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20 30 FGEDMO CSc1ccc(OCC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428783159 500557107 /nfs/dbraw/zinc/55/71/07/500557107.db2.gz MOJQYAQMNSDXFB-KRWDZBQOSA-N 1 1 355.463 3.207 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC(F)(F)[C@H](C)C2)c(OC)c1 ZINC000573487467 506202776 /nfs/dbraw/zinc/20/27/76/506202776.db2.gz AHFLNMOVRKWJTD-GDBMZVCRSA-N 1 1 355.425 3.141 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@]23CCOC3)sc2c1CCCCC2 ZINC000421034273 500560774 /nfs/dbraw/zinc/56/07/74/500560774.db2.gz NWDLEKWSBSEVLR-IBGZPJMESA-N 1 1 359.495 3.082 20 30 FGEDMO C[C@H]1C[N@@H+](CCCNc2c(C#N)cnc3ccc(Cl)cc32)CCCO1 ZINC000432856017 500578671 /nfs/dbraw/zinc/57/86/71/500578671.db2.gz YHWYKEJKBJGGMA-AWEZNQCLSA-N 1 1 358.873 3.095 20 30 FGEDMO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437433758 500643725 /nfs/dbraw/zinc/64/37/25/500643725.db2.gz XXHARFPGMVVPLM-UHFFFAOYSA-N 1 1 365.424 3.240 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000437999547 500726881 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C=CCC[C@@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000434281140 500820888 /nfs/dbraw/zinc/82/08/88/500820888.db2.gz PVZPRCUCUCVQIZ-LJQANCHMSA-N 1 1 359.514 3.446 20 30 FGEDMO COc1ccc(C(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)c(OC)c1 ZINC000444581740 500862322 /nfs/dbraw/zinc/86/23/22/500862322.db2.gz HTRQONCJZJISBQ-UHFFFAOYSA-N 1 1 373.497 3.182 20 30 FGEDMO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000434692555 500880296 /nfs/dbraw/zinc/88/02/96/500880296.db2.gz HCOCBHVRCDMQAJ-GOSISDBHSA-N 1 1 368.525 3.250 20 30 FGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(C#N)c1Br ZINC000448984821 500887200 /nfs/dbraw/zinc/88/72/00/500887200.db2.gz UKCVBQCYAVMDKB-CQSZACIVSA-N 1 1 364.287 3.315 20 30 FGEDMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000598912645 506223048 /nfs/dbraw/zinc/22/30/48/506223048.db2.gz HKIDKMHNPJFGHV-UHFFFAOYSA-N 1 1 350.466 3.402 20 30 FGEDMO CC(C)[N@H+](Cc1cn2ccccc2c1C#N)C[C@@H](O)COc1ccccc1 ZINC000444820999 500907191 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373.378 3.358 20 30 FGEDMO CCO[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000449497469 501018002 /nfs/dbraw/zinc/01/80/02/501018002.db2.gz KLZLGEYWYQZREN-APWZRJJASA-N 1 1 353.470 3.106 20 30 FGEDMO Cc1ccc([C@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435891235 501042133 /nfs/dbraw/zinc/04/21/33/501042133.db2.gz CTEMUJCUIORWQH-OXQOHEQNSA-N 1 1 359.466 3.250 20 30 FGEDMO C=CCC[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000441044702 501078889 /nfs/dbraw/zinc/07/88/89/501078889.db2.gz BBVCHBIJANZFDX-IBGZPJMESA-N 1 1 358.530 3.019 20 30 FGEDMO COc1ccc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)nc1 ZINC000449766774 501080954 /nfs/dbraw/zinc/08/09/54/501080954.db2.gz OLNWVYFFQQMIHY-UHFFFAOYSA-N 1 1 366.465 3.095 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)[nH]c1C ZINC000450380638 501106033 /nfs/dbraw/zinc/10/60/33/501106033.db2.gz RRRHESXQCSRLNI-GOSISDBHSA-N 1 1 366.465 3.027 20 30 FGEDMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450464378 501127901 /nfs/dbraw/zinc/12/79/01/501127901.db2.gz YJEDYUROCYPVNJ-AWEZNQCLSA-N 1 1 371.466 3.190 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000449988782 501146821 /nfs/dbraw/zinc/14/68/21/501146821.db2.gz NIICBLVKLGDALE-ZDUSSCGKSA-N 1 1 364.287 3.125 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000450195613 501207351 /nfs/dbraw/zinc/20/73/51/501207351.db2.gz VGCLBDJGGNFCID-CZGNIMDHSA-N 1 1 371.525 3.040 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000450195613 501207353 /nfs/dbraw/zinc/20/73/53/501207353.db2.gz VGCLBDJGGNFCID-CZGNIMDHSA-N 1 1 371.525 3.040 20 30 FGEDMO COc1cccc2c1ccnc2N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000450219381 501212441 /nfs/dbraw/zinc/21/24/41/501212441.db2.gz CPZRZGQSKIPECZ-UHFFFAOYSA-N 1 1 358.445 3.437 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451002107 501238183 /nfs/dbraw/zinc/23/81/83/501238183.db2.gz 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C=CCC[C@@H](CO)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000457650699 501277399 /nfs/dbraw/zinc/27/73/99/501277399.db2.gz MOGUMPKKCRZQHK-XLIONFOSSA-N 1 1 359.514 3.187 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@H](O)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000451461745 501297839 /nfs/dbraw/zinc/29/78/39/501297839.db2.gz STLUYFJSIZSHSC-UZLBHIALSA-N 1 1 366.461 3.491 20 30 FGEDMO C=CCn1c(Cc2ccsc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453428148 501329876 /nfs/dbraw/zinc/32/98/76/501329876.db2.gz ZNOITUHBXPYZCG-MRXNPFEDSA-N 1 1 371.554 3.427 20 30 FGEDMO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000453451190 501335776 /nfs/dbraw/zinc/33/57/76/501335776.db2.gz INHXAUNAMGIPJQ-UHFFFAOYSA-N 1 1 369.513 3.450 20 30 FGEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453457215 501337141 /nfs/dbraw/zinc/33/71/41/501337141.db2.gz XIIUZSQKLSLERT-ZIFCJYIRSA-N 1 1 373.545 3.262 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000453459945 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C[C@@H]1C[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000467475636 501804151 /nfs/dbraw/zinc/80/41/51/501804151.db2.gz YGFACQKUUCCJEE-RDTXWAMCSA-N 1 1 352.413 3.482 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1=O ZINC000467512397 501813221 /nfs/dbraw/zinc/81/32/21/501813221.db2.gz OKYFLYFSEYMLJZ-INIZCTEOSA-N 1 1 367.276 3.488 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1=O ZINC000467512397 501813225 /nfs/dbraw/zinc/81/32/25/501813225.db2.gz OKYFLYFSEYMLJZ-INIZCTEOSA-N 1 1 367.276 3.488 20 30 FGEDMO C[N@H+](Cc1ccc(CC#N)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470814917 501814223 /nfs/dbraw/zinc/81/42/23/501814223.db2.gz GDQVAIXVVJIVHG-ROUUACIJSA-N 1 1 358.486 3.254 20 30 FGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000481673305 501845400 /nfs/dbraw/zinc/84/54/00/501845400.db2.gz CSXPPOGPFHCOOD-PGRDOPGGSA-N 1 1 353.510 3.416 20 30 FGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000481673305 501845401 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369.383 3.099 20 30 FGEDMO COc1cc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)ccc1C#N ZINC000460603006 501872845 /nfs/dbraw/zinc/87/28/45/501872845.db2.gz YHYHVBHPJXWSSQ-SFHVURJKSA-N 1 1 357.841 3.139 20 30 FGEDMO Cc1ccc([C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c(C)c1 ZINC000470992135 501884691 /nfs/dbraw/zinc/88/46/91/501884691.db2.gz GPFPSKKDVWEGOH-LJQANCHMSA-N 1 1 368.502 3.438 20 30 FGEDMO Cc1ccc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c(C)c1 ZINC000470992135 501884696 /nfs/dbraw/zinc/88/46/96/501884696.db2.gz GPFPSKKDVWEGOH-LJQANCHMSA-N 1 1 368.502 3.438 20 30 FGEDMO CC(C)[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)N1CCN(C)CC1 ZINC000481919524 501918031 /nfs/dbraw/zinc/91/80/31/501918031.db2.gz STZMTTPXABCKMX-FGZHOGPDSA-N 1 1 354.542 3.187 20 30 FGEDMO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1)OCC ZINC000482012446 501947524 /nfs/dbraw/zinc/94/75/24/501947524.db2.gz BMXAFTMYTAXQHO-RZUBCFFCSA-N 1 1 372.509 3.461 20 30 FGEDMO C=C(C)COCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000474797357 501956667 /nfs/dbraw/zinc/95/66/67/501956667.db2.gz ZEFPEPCNJAWMFJ-SFHVURJKSA-N 1 1 359.514 3.310 20 30 FGEDMO C=C(C)Cn1c(COCC)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460929305 501961349 /nfs/dbraw/zinc/96/13/49/501961349.db2.gz DJFIJKZQJLUDCT-UHFFFAOYSA-N 1 1 369.513 3.103 20 30 FGEDMO N#Cc1cccc(C2(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000471291688 501980097 /nfs/dbraw/zinc/98/00/97/501980097.db2.gz HBGFASXIXCSSMY-HXUWFJFHSA-N 1 1 359.473 3.228 20 30 FGEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccnc(C#N)c1 ZINC000474962478 502005109 /nfs/dbraw/zinc/00/51/09/502005109.db2.gz UJPRKHWDQDINQC-HXUWFJFHSA-N 1 1 362.477 3.156 20 30 FGEDMO COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000478591356 502027178 /nfs/dbraw/zinc/02/71/78/502027178.db2.gz VTELLVVDNPTVDZ-DLBZAZTESA-N 1 1 373.497 3.105 20 30 FGEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000486044254 502028532 /nfs/dbraw/zinc/02/85/32/502028532.db2.gz VHNUGUCMDOHJDE-KSSFIOAISA-N 1 1 365.433 3.495 20 30 FGEDMO CCc1nc(C#N)cc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000596168134 506289412 /nfs/dbraw/zinc/28/94/12/506289412.db2.gz LGHTXTCBADBQMT-UYAOXDASSA-N 1 1 361.493 3.402 20 30 FGEDMO C=CCOc1cccc(NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)c1 ZINC000475118858 502065954 /nfs/dbraw/zinc/06/59/54/502065954.db2.gz MIGUXKKTZRFYCP-UHFFFAOYSA-N 1 1 351.410 3.040 20 30 FGEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C#N)C(C)(C)C)C1 ZINC000464715019 502071346 /nfs/dbraw/zinc/07/13/46/502071346.db2.gz WMENTRZXHRRZPY-HXUWFJFHSA-N 1 1 366.509 3.462 20 30 FGEDMO C=CC[N@H+](CCC(=O)NCc1cnc(C)s1)Cc1cccc(C#N)c1 ZINC000602767802 506291961 /nfs/dbraw/zinc/29/19/61/506291961.db2.gz GLGNDFLBMCWRJV-UHFFFAOYSA-N 1 1 354.479 3.018 20 30 FGEDMO C=CCN(CCOC)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000478788084 502085802 /nfs/dbraw/zinc/08/58/02/502085802.db2.gz QWFHPEWACWEKJU-SFHVURJKSA-N 1 1 359.514 3.405 20 30 FGEDMO CC(C)C[C@H](CNc1c(C#N)cnc2ccc(Cl)cc21)[NH+]1CCOCC1 ZINC000461459302 502122419 /nfs/dbraw/zinc/12/24/19/502122419.db2.gz CFFTXYWDEWJXFK-QGZVFWFLSA-N 1 1 372.900 3.341 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000482711830 502160162 /nfs/dbraw/zinc/16/01/62/502160162.db2.gz SIJRTSLOJCFZBG-MOPGFXCFSA-N 1 1 359.518 3.179 20 30 FGEDMO C=CCC1(C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CCC1 ZINC000479175183 502183697 /nfs/dbraw/zinc/18/36/97/502183697.db2.gz LXNJEZSWIRVRKH-UHFFFAOYSA-N 1 1 369.509 3.078 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC000461749810 502190668 /nfs/dbraw/zinc/19/06/68/502190668.db2.gz NWTNCVSWBQSZAX-UHFFFAOYSA-N 1 1 353.466 3.395 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC000461749810 502190674 /nfs/dbraw/zinc/19/06/74/502190674.db2.gz NWTNCVSWBQSZAX-UHFFFAOYSA-N 1 1 353.466 3.395 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000472001259 502196429 /nfs/dbraw/zinc/19/64/29/502196429.db2.gz XHPMNOHACKTYSQ-HXUWFJFHSA-N 1 1 372.557 3.048 20 30 FGEDMO Cc1nc(-c2ccccc2)oc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000602789804 506300419 /nfs/dbraw/zinc/30/04/19/506300419.db2.gz ZGGDBUBNDIFAIM-HNNXBMFYSA-N 1 1 374.448 3.022 20 30 FGEDMO Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000602789804 506300428 /nfs/dbraw/zinc/30/04/28/506300428.db2.gz ZGGDBUBNDIFAIM-HNNXBMFYSA-N 1 1 374.448 3.022 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(Br)cn1 ZINC000482976989 502234282 /nfs/dbraw/zinc/23/42/82/502234282.db2.gz FMDXEYSUNHDZGL-NEPJUHHUSA-N 1 1 373.254 3.394 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)s2)C[C@@H](C)O1 ZINC000486709183 502239119 /nfs/dbraw/zinc/23/91/19/502239119.db2.gz QELZRNWSBLBCTM-HUUCEWRRSA-N 1 1 369.490 3.159 20 30 FGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000461958949 502253260 /nfs/dbraw/zinc/25/32/60/502253260.db2.gz NKULWMUXBJJQAI-HSALFYBXSA-N 1 1 354.498 3.232 20 30 FGEDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)cc1 ZINC000461964527 502254789 /nfs/dbraw/zinc/25/47/89/502254789.db2.gz KKGFNMCCFXBZKC-VQTJNVASSA-N 1 1 354.498 3.329 20 30 FGEDMO Cc1cc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)ccc1C#N ZINC000486788611 502261269 /nfs/dbraw/zinc/26/12/69/502261269.db2.gz NQGQPGDBEDHJHE-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+](CCCO)Cc2ccccc2)cc1Cl ZINC000486793222 502263564 /nfs/dbraw/zinc/26/35/64/502263564.db2.gz YGWULXLIGNRQLM-UHFFFAOYSA-N 1 1 357.841 3.035 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+](CCCO)Cc2ccccc2)cc1Cl ZINC000486793222 502263570 /nfs/dbraw/zinc/26/35/70/502263570.db2.gz YGWULXLIGNRQLM-UHFFFAOYSA-N 1 1 357.841 3.035 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000483088450 502267625 /nfs/dbraw/zinc/26/76/25/502267625.db2.gz WLTDFNJGOMFRPL-NRFANRHFSA-N 1 1 362.477 3.488 20 30 FGEDMO N#Cc1ccccc1OCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000472255276 502286320 /nfs/dbraw/zinc/28/63/20/502286320.db2.gz GLDVTRNGDPIIKH-HXUWFJFHSA-N 1 1 363.461 3.222 20 30 FGEDMO CC[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCOC2)O1 ZINC000483172007 502301398 /nfs/dbraw/zinc/30/13/98/502301398.db2.gz KANJAMRNNUMBOZ-FUHWJXTLSA-N 1 1 369.383 3.207 20 30 FGEDMO CC[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCOC2)O1 ZINC000483172007 502301401 /nfs/dbraw/zinc/30/14/01/502301401.db2.gz KANJAMRNNUMBOZ-FUHWJXTLSA-N 1 1 369.383 3.207 20 30 FGEDMO CC[N@H+](CC(=O)Nc1sccc1C#N)[C@H](COC)Cc1ccccc1 ZINC000472344085 502322287 /nfs/dbraw/zinc/32/22/87/502322287.db2.gz BUQQZDVBLYZHRA-KRWDZBQOSA-N 1 1 357.479 3.138 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@H](COC)Cc1ccccc1 ZINC000472344085 502322293 /nfs/dbraw/zinc/32/22/93/502322293.db2.gz BUQQZDVBLYZHRA-KRWDZBQOSA-N 1 1 357.479 3.138 20 30 FGEDMO Cn1cc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)cc1C#N ZINC000483307507 502345927 /nfs/dbraw/zinc/34/59/27/502345927.db2.gz LKTLAGUWAGQFHS-UHFFFAOYSA-N 1 1 353.466 3.347 20 30 FGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000483422522 502385732 /nfs/dbraw/zinc/38/57/32/502385732.db2.gz RFLNYKFXAUQQSF-CTNGQTDRSA-N 1 1 354.425 3.101 20 30 FGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000483422533 502386301 /nfs/dbraw/zinc/38/63/01/502386301.db2.gz RFLNYKFXAUQQSF-FPOVZHCZSA-N 1 1 354.425 3.101 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000466034231 502461210 /nfs/dbraw/zinc/46/12/10/502461210.db2.gz AWCQYWJKXVOUJP-LPHOPBHVSA-N 1 1 370.497 3.105 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466297691 502529467 /nfs/dbraw/zinc/52/94/67/502529467.db2.gz LAYINWCQUXFCAE-KRWDZBQOSA-N 1 1 356.470 3.343 20 30 FGEDMO COc1cc2c(c(OC)c1OC)CC[N@H+](CC#Cc1ccccc1)CC2 ZINC000483950758 502529730 /nfs/dbraw/zinc/52/97/30/502529730.db2.gz FIEWHVXVMOTYEI-UHFFFAOYSA-N 1 1 351.446 3.165 20 30 FGEDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](CC#Cc1ccccc1)CC2 ZINC000483950758 502529732 /nfs/dbraw/zinc/52/97/32/502529732.db2.gz FIEWHVXVMOTYEI-UHFFFAOYSA-N 1 1 351.446 3.165 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)o3)C2=O)cc1 ZINC000480308749 502533267 /nfs/dbraw/zinc/53/32/67/502533267.db2.gz OBQAICQHDITZNV-OAHLLOKOSA-N 1 1 374.238 3.199 20 30 FGEDMO C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000466378794 502552962 /nfs/dbraw/zinc/55/29/62/502552962.db2.gz SECYROWFURQWST-IHPCNDPISA-N 1 1 364.578 3.320 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469811480 502554314 /nfs/dbraw/zinc/55/43/14/502554314.db2.gz VLZXLMXMDVUNJJ-GDBMZVCRSA-N 1 1 367.287 3.430 20 30 FGEDMO N#Cc1cc2cccnc2nc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000596228228 506320777 /nfs/dbraw/zinc/32/07/77/506320777.db2.gz ZBELVTHZVSIDLK-INIZCTEOSA-N 1 1 358.449 3.418 20 30 FGEDMO C[C@H](c1ccc(NC(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc1)[NH+]1CCOCC1 ZINC000602839302 506322461 /nfs/dbraw/zinc/32/24/61/506322461.db2.gz XVRHGBIEXQNKKK-HHXXYDBFSA-N 1 1 356.470 3.236 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1OC ZINC000462862081 502603362 /nfs/dbraw/zinc/60/33/62/502603362.db2.gz NDAALKBEIBNNPO-OAHLLOKOSA-N 1 1 370.287 3.368 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](O)C2(C)C)cc1OC ZINC000462862081 502603368 /nfs/dbraw/zinc/60/33/68/502603368.db2.gz NDAALKBEIBNNPO-OAHLLOKOSA-N 1 1 370.287 3.368 20 30 FGEDMO N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000596248026 506328256 /nfs/dbraw/zinc/32/82/56/506328256.db2.gz VMDHCPUVTBOFPQ-OAHLLOKOSA-N 1 1 356.857 3.061 20 30 FGEDMO COc1cc(CN2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc(OC)c1 ZINC000488451436 502718842 /nfs/dbraw/zinc/71/88/42/502718842.db2.gz SIZGAHAHBRFTDY-UHFFFAOYSA-N 1 1 365.477 3.202 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000463225003 502725770 /nfs/dbraw/zinc/72/57/70/502725770.db2.gz ZFNDUQPZFGRAPW-KRWDZBQOSA-N 1 1 351.450 3.262 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000463225003 502725774 /nfs/dbraw/zinc/72/57/74/502725774.db2.gz ZFNDUQPZFGRAPW-KRWDZBQOSA-N 1 1 351.450 3.262 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175469 502772934 /nfs/dbraw/zinc/77/29/34/502772934.db2.gz KHANMUJXKYOBMB-ZJOUEHCJSA-N 1 1 357.542 3.300 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175469 502772939 /nfs/dbraw/zinc/77/29/39/502772939.db2.gz KHANMUJXKYOBMB-ZJOUEHCJSA-N 1 1 357.542 3.300 20 30 FGEDMO CC[N@@H+]1[C@H](C)CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1C ZINC000602875131 506334317 /nfs/dbraw/zinc/33/43/17/506334317.db2.gz WCKPIWOQWBYNFE-IYBDPMFKSA-N 1 1 362.905 3.001 20 30 FGEDMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463431260 502799289 /nfs/dbraw/zinc/79/92/89/502799289.db2.gz AENVCNHIVDCIFC-OIISXLGYSA-N 1 1 356.388 3.351 20 30 FGEDMO N#Cc1cc(Br)ccc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596267938 506335262 /nfs/dbraw/zinc/33/52/62/506335262.db2.gz DKVOOUQQPNSORO-UHFFFAOYSA-N 1 1 364.287 3.012 20 30 FGEDMO C=CCSCCNC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509178714 502842011 /nfs/dbraw/zinc/84/20/11/502842011.db2.gz OAZHLBUZPTUPJA-LJQANCHMSA-N 1 1 361.555 3.459 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000495455798 502841967 /nfs/dbraw/zinc/84/19/67/502841967.db2.gz SBLQBIBADBWTMK-ISTRZQFTSA-N 1 1 363.889 3.268 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000495455798 502841971 /nfs/dbraw/zinc/84/19/71/502841971.db2.gz SBLQBIBADBWTMK-ISTRZQFTSA-N 1 1 363.889 3.268 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)Cc1c(F)cccc1C#N)c1ccccc1Cl ZINC000505154553 502860283 /nfs/dbraw/zinc/86/02/83/502860283.db2.gz JBAXINNQXYIQCX-GOSISDBHSA-N 1 1 359.832 3.312 20 30 FGEDMO C=CCn1cccc1C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000489016665 502861580 /nfs/dbraw/zinc/86/15/80/502861580.db2.gz DDPXRSBBMYCJTE-TZIWHRDSSA-N 1 1 367.493 3.084 20 30 FGEDMO C=CCn1cccc1C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000489016665 502861584 /nfs/dbraw/zinc/86/15/84/502861584.db2.gz DDPXRSBBMYCJTE-TZIWHRDSSA-N 1 1 367.493 3.084 20 30 FGEDMO COc1ccccc1CC[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000489224439 502905187 /nfs/dbraw/zinc/90/51/87/502905187.db2.gz MCUPIATWQWTIIX-HXUWFJFHSA-N 1 1 363.461 3.237 20 30 FGEDMO COc1ccccc1CC[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000489224402 502905333 /nfs/dbraw/zinc/90/53/33/502905333.db2.gz MCUPIATWQWTIIX-FQEVSTJZSA-N 1 1 363.461 3.237 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500994575 502908148 /nfs/dbraw/zinc/90/81/48/502908148.db2.gz FRONCCSLPAOCBA-IXDOHACOSA-N 1 1 357.498 3.198 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501089766 502934921 /nfs/dbraw/zinc/93/49/21/502934921.db2.gz QYHTZHAXCQUKKH-XJKSGUPXSA-N 1 1 366.868 3.321 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000509643509 502956431 /nfs/dbraw/zinc/95/64/31/502956431.db2.gz NXGOXISCDZMHIZ-DLBZAZTESA-N 1 1 363.461 3.302 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3ccc(C#N)cc3OC)CC2)c1 ZINC000501203814 502957771 /nfs/dbraw/zinc/95/77/71/502957771.db2.gz IJBOZGPEEVYYBI-KRWDZBQOSA-N 1 1 365.477 3.454 20 30 FGEDMO C[N@@H+](CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)[C@H]1CCSC1 ZINC000501212589 502959965 /nfs/dbraw/zinc/95/99/65/502959965.db2.gz WKJVVIKOLLNMLW-GWCFXTLKSA-N 1 1 358.294 3.112 20 30 FGEDMO CCCC[N@@H+](C)CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000489506139 502974565 /nfs/dbraw/zinc/97/45/65/502974565.db2.gz KBKYVFCNFAZBPN-UHFFFAOYSA-N 1 1 371.510 3.459 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(CNc3ncc(C#N)cc3Cl)cc2)CC1 ZINC000513651508 502990938 /nfs/dbraw/zinc/99/09/38/502990938.db2.gz BBDNMAZWPJIBGZ-UHFFFAOYSA-N 1 1 369.900 3.356 20 30 FGEDMO CC(C)Oc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513671191 502996336 /nfs/dbraw/zinc/99/63/36/502996336.db2.gz GSZPBXFRVOSBCK-HTAPYJJXSA-N 1 1 361.445 3.319 20 30 FGEDMO CC(C)Oc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513671191 502996338 /nfs/dbraw/zinc/99/63/38/502996338.db2.gz GSZPBXFRVOSBCK-HTAPYJJXSA-N 1 1 361.445 3.319 20 30 FGEDMO CCOc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000506101143 503048025 /nfs/dbraw/zinc/04/80/25/503048025.db2.gz NIPUEPNFQLXVLL-UHFFFAOYSA-N 1 1 365.477 3.283 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000514245560 503124807 /nfs/dbraw/zinc/12/48/07/503124807.db2.gz ZMCOPOLHGZPLNG-KRWDZBQOSA-N 1 1 365.477 3.352 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(SC)CC1 ZINC000602920561 506353683 /nfs/dbraw/zinc/35/36/83/506353683.db2.gz PJAJTLQBDMCTPG-OAHLLOKOSA-N 1 1 361.511 3.158 20 30 FGEDMO CCCCOc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1 ZINC000506661044 503151738 /nfs/dbraw/zinc/15/17/38/503151738.db2.gz FJYKXXWQIYTLGI-UHFFFAOYSA-N 1 1 350.466 3.454 20 30 FGEDMO C[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000502274799 503172700 /nfs/dbraw/zinc/17/27/00/503172700.db2.gz HQCUKENWXGNQOH-MSOLQXFVSA-N 1 1 366.509 3.477 20 30 FGEDMO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCCc3ccc(F)cc3)CC2)cc1 ZINC000502504657 503212738 /nfs/dbraw/zinc/21/27/38/503212738.db2.gz BTOLCXOZKCOUOB-UHFFFAOYSA-N 1 1 363.436 3.145 20 30 FGEDMO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCCc3ccc(F)cc3)CC2)cc1 ZINC000502504657 503212742 /nfs/dbraw/zinc/21/27/42/503212742.db2.gz BTOLCXOZKCOUOB-UHFFFAOYSA-N 1 1 363.436 3.145 20 30 FGEDMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)cc1 ZINC000514896840 503221596 /nfs/dbraw/zinc/22/15/96/503221596.db2.gz LXSITEFLKKTEGA-LJQANCHMSA-N 1 1 369.509 3.292 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c(Cl)c1 ZINC000511103253 503255589 /nfs/dbraw/zinc/25/55/89/503255589.db2.gz BWZHKQRNKNDSBZ-ZDUSSCGKSA-N 1 1 373.806 3.492 20 30 FGEDMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000502712239 503256347 /nfs/dbraw/zinc/25/63/47/503256347.db2.gz LGRNANAXZIVOCO-HNNXBMFYSA-N 1 1 369.918 3.145 20 30 FGEDMO C[C@H]1CCC[N@H+](Cc2ccc(CNCc3cnc4c(C#N)cnn4c3)cc2)C1 ZINC000515074316 503265928 /nfs/dbraw/zinc/26/59/28/503265928.db2.gz GMPRTSZSVFZHBW-KRWDZBQOSA-N 1 1 374.492 3.123 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3cnc4c(C#N)cnn4c3)cc2)C1 ZINC000515074316 503265930 /nfs/dbraw/zinc/26/59/30/503265930.db2.gz GMPRTSZSVFZHBW-KRWDZBQOSA-N 1 1 374.492 3.123 20 30 FGEDMO Cc1cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000502947842 503312912 /nfs/dbraw/zinc/31/29/12/503312912.db2.gz HFXBNBVRMFPJBX-NVXWUHKLSA-N 1 1 365.481 3.045 20 30 FGEDMO Cc1cc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)nn1-c1cccc(C#N)c1 ZINC000503002366 503321853 /nfs/dbraw/zinc/32/18/53/503321853.db2.gz TWAGAZJLSIYDOH-UHFFFAOYSA-N 1 1 356.389 3.261 20 30 FGEDMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000511730887 503377126 /nfs/dbraw/zinc/37/71/26/503377126.db2.gz LDCJMUXQKVGAIQ-FQEVSTJZSA-N 1 1 362.477 3.292 20 30 FGEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1ccccc1C#N ZINC000503261649 503378893 /nfs/dbraw/zinc/37/88/93/503378893.db2.gz ITSTUVVYNDMVDK-QGZVFWFLSA-N 1 1 351.450 3.088 20 30 FGEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1ccccc1C#N ZINC000503261649 503378895 /nfs/dbraw/zinc/37/88/95/503378895.db2.gz ITSTUVVYNDMVDK-QGZVFWFLSA-N 1 1 351.450 3.088 20 30 FGEDMO CC(C)COc1ccccc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000515719170 503390156 /nfs/dbraw/zinc/39/01/56/503390156.db2.gz XLIGDMZGGCZGSY-UHFFFAOYSA-N 1 1 350.466 3.310 20 30 FGEDMO C=CC[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccc(OC)cc1 ZINC000515780106 503400527 /nfs/dbraw/zinc/40/05/27/503400527.db2.gz IXIJBYKIZMILDF-UHFFFAOYSA-N 1 1 364.445 3.370 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](CCCO)C(c2ccccc2)c2ccccc2)C1=O ZINC000499530162 503425568 /nfs/dbraw/zinc/42/55/68/503425568.db2.gz IBSIQBNOHSMKCQ-NRFANRHFSA-N 1 1 364.489 3.247 20 30 FGEDMO C=CCN1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)C1=O ZINC000499545386 503428985 /nfs/dbraw/zinc/42/89/85/503428985.db2.gz OYVKSXFZDAULDB-PMACEKPBSA-N 1 1 354.425 3.300 20 30 FGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000499706253 503462451 /nfs/dbraw/zinc/46/24/51/503462451.db2.gz CSTNUWQAIGBDJY-QUCCMNQESA-N 1 1 357.498 3.342 20 30 FGEDMO CCN(C(=O)Cc1noc(C)c1C#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000499773733 503479339 /nfs/dbraw/zinc/47/93/39/503479339.db2.gz ANOCTMFNUYZEQH-YJBOKZPZSA-N 1 1 366.465 3.081 20 30 FGEDMO C[C@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000516297865 503490417 /nfs/dbraw/zinc/49/04/17/503490417.db2.gz QZHRBQKIQWRXQY-QGZVFWFLSA-N 1 1 364.449 3.420 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cnc(-c4ccccc4)[nH]3)C2=O)cc1 ZINC000503937894 503494074 /nfs/dbraw/zinc/49/40/74/503494074.db2.gz VZJBQIOUXHHHQB-HXUWFJFHSA-N 1 1 371.444 3.234 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]c(-c4ccccc4)n3)C2=O)cc1 ZINC000503937894 503494080 /nfs/dbraw/zinc/49/40/80/503494080.db2.gz VZJBQIOUXHHHQB-HXUWFJFHSA-N 1 1 371.444 3.234 20 30 FGEDMO CCCc1csc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000494181477 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3.442 20 30 FGEDMO Cc1oc(C#N)cc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000529701377 503665169 /nfs/dbraw/zinc/66/51/69/503665169.db2.gz FOXYBXQJMIPOOV-HXUWFJFHSA-N 1 1 351.450 3.442 20 30 FGEDMO N#Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000527072918 503669328 /nfs/dbraw/zinc/66/93/28/503669328.db2.gz IILHUTJKBWKYTR-INIZCTEOSA-N 1 1 353.853 3.464 20 30 FGEDMO COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532967274 503679366 /nfs/dbraw/zinc/67/93/66/503679366.db2.gz QBAGPQLCJFZEAG-KBPBESRZSA-N 1 1 361.511 3.184 20 30 FGEDMO COC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532967274 503679371 /nfs/dbraw/zinc/67/93/71/503679371.db2.gz QBAGPQLCJFZEAG-KBPBESRZSA-N 1 1 361.511 3.184 20 30 FGEDMO N#Cc1ccc(CNc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000532987224 503689537 /nfs/dbraw/zinc/68/95/37/503689537.db2.gz DKHOZLKMIMFSRM-SFHVURJKSA-N 1 1 366.440 3.007 20 30 FGEDMO COc1ccc(C[N@@H+](CCC(=O)N(C)CCC#N)Cc2ccccc2)cc1 ZINC000536740169 503705413 /nfs/dbraw/zinc/70/54/13/503705413.db2.gz FUCUABDEBOXVNT-UHFFFAOYSA-N 1 1 365.477 3.460 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000517909034 503864311 /nfs/dbraw/zinc/86/43/11/503864311.db2.gz XUIWNOAUMUNLCZ-XMSQKQJNSA-N 1 1 370.541 3.026 20 30 FGEDMO Cn1c2ccc(NC[C@H](O)COc3ccccc3C#N)cc2[nH+]c1C1CC1 ZINC000530237293 503886692 /nfs/dbraw/zinc/88/66/92/503886692.db2.gz DFMLNBTWYGKOSV-KRWDZBQOSA-N 1 1 362.433 3.174 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000537369235 503891624 /nfs/dbraw/zinc/89/16/24/503891624.db2.gz UJOWYEMQJIGUPZ-VXKWHMMOSA-N 1 1 367.489 3.098 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000537369235 503891627 /nfs/dbraw/zinc/89/16/27/503891627.db2.gz UJOWYEMQJIGUPZ-VXKWHMMOSA-N 1 1 367.489 3.098 20 30 FGEDMO C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000540886437 503925698 /nfs/dbraw/zinc/92/56/98/503925698.db2.gz OTYUIVAWEWBXLR-CQSZACIVSA-N 1 1 353.853 3.388 20 30 FGEDMO CCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533762699 503945772 /nfs/dbraw/zinc/94/57/72/503945772.db2.gz XUTWPHSWIGVGAJ-QXAKKESOSA-N 1 1 356.466 3.370 20 30 FGEDMO Cc1nn(C)c(N2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)c1C#N ZINC000530412381 503956320 /nfs/dbraw/zinc/95/63/20/503956320.db2.gz ZAAAKJWQTLYQTI-UHFFFAOYSA-N 1 1 366.856 3.128 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000527845000 503970614 /nfs/dbraw/zinc/97/06/14/503970614.db2.gz HGKNGYOCWHTUNH-LJQANCHMSA-N 1 1 353.853 3.492 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000527845000 503970618 /nfs/dbraw/zinc/97/06/18/503970618.db2.gz HGKNGYOCWHTUNH-LJQANCHMSA-N 1 1 353.853 3.492 20 30 FGEDMO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C#N)s3)CC[N@@H+]2C2CC2)c1 ZINC000537605536 503971399 /nfs/dbraw/zinc/97/13/99/503971399.db2.gz RLXSEXMNXKXNFJ-HKUYNNGSSA-N 1 1 367.474 3.336 20 30 FGEDMO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C#N)s3)CC[N@H+]2C2CC2)c1 ZINC000537605536 503971403 /nfs/dbraw/zinc/97/14/03/503971403.db2.gz RLXSEXMNXKXNFJ-HKUYNNGSSA-N 1 1 367.474 3.336 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)cc1OC ZINC000537697974 504009751 /nfs/dbraw/zinc/00/97/51/504009751.db2.gz RMXGITLKDNTOFL-ZFWWWQNUSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)[C@@H](CC)C2)cc1OC ZINC000537697974 504009753 /nfs/dbraw/zinc/00/97/53/504009753.db2.gz RMXGITLKDNTOFL-ZFWWWQNUSA-N 1 1 370.287 3.225 20 30 FGEDMO CC(C)(C)OC(=O)CC[N@@H+](CC#Cc1ccc(F)cc1)C1CCOCC1 ZINC000518526057 504008941 /nfs/dbraw/zinc/00/89/41/504008941.db2.gz DPPJFDOSDSRPGY-UHFFFAOYSA-N 1 1 361.457 3.390 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000530676128 504050139 /nfs/dbraw/zinc/05/01/39/504050139.db2.gz YLSRGDFZRPGHQG-YLJYHZDGSA-N 1 1 353.491 3.362 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCc1ccccc1O ZINC000541390464 504115554 /nfs/dbraw/zinc/11/55/54/504115554.db2.gz RISGICNGWXWPRM-MRXNPFEDSA-N 1 1 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ZINC000528487767 504244025 /nfs/dbraw/zinc/24/40/25/504244025.db2.gz LDLVVFHFAVVIOX-WBVHZDCISA-N 1 1 368.399 3.352 20 30 FGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)cc1F ZINC000528552186 504270335 /nfs/dbraw/zinc/27/03/35/504270335.db2.gz HIPAYYARWDZGOV-HKUYNNGSSA-N 1 1 370.424 3.283 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000541895671 504294379 /nfs/dbraw/zinc/29/43/79/504294379.db2.gz HNRRYTGJROMCHI-BEFAXECRSA-N 1 1 359.433 3.182 20 30 FGEDMO COc1cccc([C@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2(C)C)c1 ZINC000528624276 504300076 /nfs/dbraw/zinc/30/00/76/504300076.db2.gz LYYVZKUHGSKRMD-WOJBJXKFSA-N 1 1 363.461 3.219 20 30 FGEDMO CC[N@@H+](C)C[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000519681567 504300765 /nfs/dbraw/zinc/30/07/65/504300765.db2.gz ACNXOKQOBYSANS-OAQYLSRUSA-N 1 1 355.457 3.012 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)N2CCC(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000541921498 504302099 /nfs/dbraw/zinc/30/20/99/504302099.db2.gz 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C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000531644812 504374796 /nfs/dbraw/zinc/37/47/96/504374796.db2.gz XYADSPOMWVORMH-UYAOXDASSA-N 1 1 368.525 3.107 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1)Cc1ccccc1C ZINC000519904613 504379183 /nfs/dbraw/zinc/37/91/83/504379183.db2.gz TYXSQHLRLJTKNN-UHFFFAOYSA-N 1 1 351.450 3.009 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C ZINC000519904613 504379185 /nfs/dbraw/zinc/37/91/85/504379185.db2.gz TYXSQHLRLJTKNN-UHFFFAOYSA-N 1 1 351.450 3.009 20 30 FGEDMO CC(C)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1F ZINC000519906417 504380353 /nfs/dbraw/zinc/38/03/53/504380353.db2.gz BPARTWBADBSTAJ-UHFFFAOYSA-N 1 1 353.441 3.472 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1F ZINC000519906417 504380354 /nfs/dbraw/zinc/38/03/54/504380354.db2.gz BPARTWBADBSTAJ-UHFFFAOYSA-N 1 1 353.441 3.472 20 30 FGEDMO CC(C)(C)[N@H+]1CCCN(C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000519923386 504383745 /nfs/dbraw/zinc/38/37/45/504383745.db2.gz 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COC(=O)c1ccccc1OCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542316927 504448431 /nfs/dbraw/zinc/44/84/31/504448431.db2.gz JSXMFFSPLPWDGX-UHFFFAOYSA-N 1 1 350.418 3.388 20 30 FGEDMO C=CCN(C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000539037213 504453916 /nfs/dbraw/zinc/45/39/16/504453916.db2.gz HOSNDIQAVRHEFZ-PMACEKPBSA-N 1 1 357.498 3.026 20 30 FGEDMO C=CCN(C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CC1 ZINC000539037213 504453919 /nfs/dbraw/zinc/45/39/19/504453919.db2.gz HOSNDIQAVRHEFZ-PMACEKPBSA-N 1 1 357.498 3.026 20 30 FGEDMO N#Cc1ccc(CN2CCN(c3cc[nH+]cc3Br)CC2)cc1 ZINC000548479939 504460407 /nfs/dbraw/zinc/46/04/07/504460407.db2.gz VGCMFBUOGASIFW-UHFFFAOYSA-N 1 1 357.255 3.038 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(CC#N)ccn3)cc2)C[C@@H](C)O1 ZINC000531925201 504475535 /nfs/dbraw/zinc/47/55/35/504475535.db2.gz JVNJUFPQOFPOIP-HZPDHXFCSA-N 1 1 364.449 3.009 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[NH+]2CC(c3nc4ccccc4s3)C2)cc1 ZINC000539143079 504486715 /nfs/dbraw/zinc/48/67/15/504486715.db2.gz XBINIFDWSVFYFS-MRXNPFEDSA-N 1 1 365.458 3.007 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c(OC(F)F)c1 ZINC000539239155 504508126 /nfs/dbraw/zinc/50/81/26/504508126.db2.gz QWUOJNNXJBTARR-OAHLLOKOSA-N 1 1 373.407 3.466 20 30 FGEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000520590283 504535973 /nfs/dbraw/zinc/53/59/73/504535973.db2.gz XXCXRWPYSVBYTB-UHFFFAOYSA-N 1 1 366.421 3.190 20 30 FGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000520590283 504535977 /nfs/dbraw/zinc/53/59/77/504535977.db2.gz XXCXRWPYSVBYTB-UHFFFAOYSA-N 1 1 366.421 3.190 20 30 FGEDMO COCc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1C#N ZINC000529212485 504586904 /nfs/dbraw/zinc/58/69/04/504586904.db2.gz JDGXDEBYMRRNGG-MRXNPFEDSA-N 1 1 358.486 3.194 20 30 FGEDMO COCc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000529219425 504589859 /nfs/dbraw/zinc/58/98/59/504589859.db2.gz XEHRKOVYVNGIDU-HXUWFJFHSA-N 1 1 364.449 3.225 20 30 FGEDMO COCc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000529219425 504589865 /nfs/dbraw/zinc/58/98/65/504589865.db2.gz XEHRKOVYVNGIDU-HXUWFJFHSA-N 1 1 364.449 3.225 20 30 FGEDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccccc3C#N)CC2)c1 ZINC000532344117 504617583 /nfs/dbraw/zinc/61/75/83/504617583.db2.gz YUMUSIRBOAARPV-UHFFFAOYSA-N 1 1 351.450 3.288 20 30 FGEDMO CC[C@H](C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CC ZINC000549075640 504675709 /nfs/dbraw/zinc/67/57/09/504675709.db2.gz IAAYUWPFXUPEPQ-INIZCTEOSA-N 1 1 352.486 3.005 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(CCO)CC2)c1C#N ZINC000532552481 504690006 /nfs/dbraw/zinc/69/00/06/504690006.db2.gz QPBCQEOWYUHVSV-UHFFFAOYSA-N 1 1 372.513 3.125 20 30 FGEDMO C=CC[N@H+](Cc1cnc(CC)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831444 504707790 /nfs/dbraw/zinc/70/77/90/504707790.db2.gz DVSPZJZKLAURBG-AWEZNQCLSA-N 1 1 354.483 3.430 20 30 FGEDMO C=CC[N@@H+](Cc1cnn(C(C)(C)C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832201 504709279 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C[N@H+]1CCC[C@H]2CN(c3c(C#N)cnc4c(F)c(F)c(F)cc43)CC[C@H]21 ZINC000553147780 504838535 /nfs/dbraw/zinc/83/85/35/504838535.db2.gz RSJUKUWWJFXFIT-XHDPSFHLSA-N 1 1 360.383 3.444 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(-c2ccc(Br)s2)no1 ZINC000556329976 504846439 /nfs/dbraw/zinc/84/64/39/504846439.db2.gz ZVQPMVCJNYCPBY-ZJUUUORDSA-N 1 1 370.272 3.384 20 30 FGEDMO C=CCOc1ccc(CNc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000549680306 504872217 /nfs/dbraw/zinc/87/22/17/504872217.db2.gz AEYUMHQUPCPHMT-UHFFFAOYSA-N 1 1 365.477 3.251 20 30 FGEDMO N#Cc1cccc(NC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1 ZINC000562628156 504885701 /nfs/dbraw/zinc/88/57/01/504885701.db2.gz JYZLXAXMSXTNLG-IBGZPJMESA-N 1 1 366.490 3.297 20 30 FGEDMO N#Cc1cccc(NC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000562628156 504885705 /nfs/dbraw/zinc/88/57/05/504885705.db2.gz JYZLXAXMSXTNLG-IBGZPJMESA-N 1 1 366.490 3.297 20 30 FGEDMO C[N@H+]1CC[C@@]2(CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C2)C1 ZINC000565515852 504909282 /nfs/dbraw/zinc/90/92/82/504909282.db2.gz WUYKFXOBMGZGAL-LJQANCHMSA-N 1 1 358.392 3.240 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(F)c(C#N)c1 ZINC000560106060 504993012 /nfs/dbraw/zinc/99/30/12/504993012.db2.gz UFNNYNDMKUKOLA-HZPDHXFCSA-N 1 1 351.425 3.432 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(F)c(C#N)c1 ZINC000560106060 504993017 /nfs/dbraw/zinc/99/30/17/504993017.db2.gz UFNNYNDMKUKOLA-HZPDHXFCSA-N 1 1 351.425 3.432 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550393919 505033155 /nfs/dbraw/zinc/03/31/55/505033155.db2.gz PZGWTGKOQQGNGY-LJHODMEESA-N 1 1 363.889 3.236 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550393919 505033157 /nfs/dbraw/zinc/03/31/57/505033157.db2.gz PZGWTGKOQQGNGY-LJHODMEESA-N 1 1 363.889 3.236 20 30 FGEDMO C[C@H](C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)CO)c1ccccc1 ZINC000553935845 505047265 /nfs/dbraw/zinc/04/72/65/505047265.db2.gz 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CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000553986564 505061432 /nfs/dbraw/zinc/06/14/32/505061432.db2.gz BZZGQBXXAHDUJG-IBGZPJMESA-N 1 1 351.450 3.266 20 30 FGEDMO CN(C(=O)NCc1ccc(C#N)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566085010 505075286 /nfs/dbraw/zinc/07/52/86/505075286.db2.gz BROAPLLJNYUQOW-INIZCTEOSA-N 1 1 354.479 3.036 20 30 FGEDMO C=CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000557219336 505094698 /nfs/dbraw/zinc/09/46/98/505094698.db2.gz RCUSCOXENWPMJK-ZDUSSCGKSA-N 1 1 360.679 3.493 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1C#N ZINC000560484785 505099590 /nfs/dbraw/zinc/09/95/90/505099590.db2.gz QLTHYDJGNRKQOE-CQSZACIVSA-N 1 1 358.511 3.107 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000566176954 505105229 /nfs/dbraw/zinc/10/52/29/505105229.db2.gz KZPOROMRPYLFHQ-ULRHQZHYSA-N 1 1 354.498 3.190 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000563366400 505121502 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Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000566669342 505238562 /nfs/dbraw/zinc/23/85/62/505238562.db2.gz CBLIBTFPOXRMRK-LJQANCHMSA-N 1 1 362.477 3.294 20 30 FGEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCc1cn2c([nH+]1)CCCC2 ZINC000561141582 505261777 /nfs/dbraw/zinc/26/17/77/505261777.db2.gz NSSBKBGFDWWUIR-UHFFFAOYSA-N 1 1 371.366 3.133 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000566769519 505266832 /nfs/dbraw/zinc/26/68/32/505266832.db2.gz GKORVIPZRSSIKA-INIZCTEOSA-N 1 1 354.372 3.347 20 30 FGEDMO N#Cc1ccncc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000563991603 505297507 /nfs/dbraw/zinc/29/75/07/505297507.db2.gz YKXOEQXZOYYFRF-GOSISDBHSA-N 1 1 354.841 3.174 20 30 FGEDMO COc1cc(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)ccc1C#N ZINC000555000341 505324491 /nfs/dbraw/zinc/32/44/91/505324491.db2.gz OSYPZZCIMFMAGZ-FQEVSTJZSA-N 1 1 350.397 3.319 20 30 FGEDMO C[C@H]1C[N@@H+](CCCNc2cccc(Br)c2C#N)CCCO1 ZINC000558608310 505438031 /nfs/dbraw/zinc/43/80/31/505438031.db2.gz 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C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000612148868 506462518 /nfs/dbraw/zinc/46/25/18/506462518.db2.gz IIHMUMVOPWJXFN-SCTDSRPQSA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000612148868 506462521 /nfs/dbraw/zinc/46/25/21/506462521.db2.gz IIHMUMVOPWJXFN-SCTDSRPQSA-N 1 1 360.889 3.420 20 30 FGEDMO COc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(C)c1OC ZINC000589159764 506462947 /nfs/dbraw/zinc/46/29/47/506462947.db2.gz RDFDVMYUIILKCM-UHFFFAOYSA-N 1 1 369.440 3.345 20 30 FGEDMO COCc1cc(C#N)ccc1NCc1ccccc1C[NH+]1CCOCC1 ZINC000603268629 506472205 /nfs/dbraw/zinc/47/22/05/506472205.db2.gz IURQZOCGXMJOQW-UHFFFAOYSA-N 1 1 351.450 3.149 20 30 FGEDMO Cc1cc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)[C@H](C)[C@H]2C)ncc1C#N ZINC000593224704 506479629 /nfs/dbraw/zinc/47/96/29/506479629.db2.gz KNUFAIDVCPYFLL-RCCFBDPRSA-N 1 1 362.477 3.385 20 30 FGEDMO N#Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncc1Br ZINC000603317080 506483521 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FGEDMO COc1ccc([C@@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000603464268 506521929 /nfs/dbraw/zinc/52/19/29/506521929.db2.gz SQYNKLCFVPCMKA-VQIMIIECSA-N 1 1 354.450 3.194 20 30 FGEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000612325978 506527882 /nfs/dbraw/zinc/52/78/82/506527882.db2.gz ZAPUAIUGKIOWKD-HXUWFJFHSA-N 1 1 359.514 3.131 20 30 FGEDMO CCOCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000599626653 506539161 /nfs/dbraw/zinc/53/91/61/506539161.db2.gz YATVNAFDZWZOHC-FXAWDEMLSA-N 1 1 357.498 3.021 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)cc1 ZINC000583023423 506547506 /nfs/dbraw/zinc/54/75/06/506547506.db2.gz OWFGTDVSAWIEAJ-NVXWUHKLSA-N 1 1 355.829 3.174 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)n2)[C@H]1c1ccc(Cl)cc1 ZINC000583023423 506547513 /nfs/dbraw/zinc/54/75/13/506547513.db2.gz OWFGTDVSAWIEAJ-NVXWUHKLSA-N 1 1 355.829 3.174 20 30 FGEDMO N#CC1(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000593331301 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/nfs/dbraw/zinc/45/25/80/507452580.db2.gz YSGWNSLSZTXKPK-CTNGQTDRSA-N 1 1 368.525 3.011 20 30 FGEDMO N#CCn1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2ccccc21 ZINC000610951105 507453372 /nfs/dbraw/zinc/45/33/72/507453372.db2.gz FJWJZDLUKSMKNI-PXNSSMCTSA-N 1 1 362.477 3.254 20 30 FGEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1C#N ZINC000610992054 507471053 /nfs/dbraw/zinc/47/10/53/507471053.db2.gz UUGXACCHJLBSPG-UHFFFAOYSA-N 1 1 355.482 3.181 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1C#N ZINC000610992054 507471062 /nfs/dbraw/zinc/47/10/62/507471062.db2.gz UUGXACCHJLBSPG-UHFFFAOYSA-N 1 1 355.482 3.181 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000584728685 507473447 /nfs/dbraw/zinc/47/34/47/507473447.db2.gz TZWKDGGZRRMYNJ-WUZYXKQASA-N 1 1 366.509 3.490 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000584728685 507473448 /nfs/dbraw/zinc/47/34/48/507473448.db2.gz TZWKDGGZRRMYNJ-WUZYXKQASA-N 1 1 366.509 3.490 20 30 FGEDMO N#Cc1cccc(-c2nnc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000610995347 507473440 /nfs/dbraw/zinc/47/34/40/507473440.db2.gz WGLZBFPXVYNGJZ-MJGOQNOKSA-N 1 1 363.465 3.057 20 30 FGEDMO CN(CCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccccc1 ZINC000592074355 507475861 /nfs/dbraw/zinc/47/58/61/507475861.db2.gz ZQSIRLFCBVMNRL-UHFFFAOYSA-N 1 1 365.481 3.072 20 30 FGEDMO N#Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)ccn1 ZINC000592133550 507497789 /nfs/dbraw/zinc/49/77/89/507497789.db2.gz XRYRBFXJZZRONF-WGSAOQKQSA-N 1 1 366.421 3.167 20 30 FGEDMO N#Cc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)ccn1 ZINC000592133550 507497797 /nfs/dbraw/zinc/49/77/97/507497797.db2.gz XRYRBFXJZZRONF-WGSAOQKQSA-N 1 1 366.421 3.167 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000614402440 507498296 /nfs/dbraw/zinc/49/82/96/507498296.db2.gz YCMPIJZUDQWMFS-KRWDZBQOSA-N 1 1 367.415 3.490 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000592141187 507502848 /nfs/dbraw/zinc/50/28/48/507502848.db2.gz IHZUCBKUYKZKIH-UXLLHSPISA-N 1 1 359.495 3.130 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000592141187 507502852 /nfs/dbraw/zinc/50/28/52/507502852.db2.gz IHZUCBKUYKZKIH-UXLLHSPISA-N 1 1 359.495 3.130 20 30 FGEDMO CC[C@@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](O)CC(C)(C)C#N ZINC000598595968 507511174 /nfs/dbraw/zinc/51/11/74/507511174.db2.gz MRCRYNCGKLNGCI-CABCVRRESA-N 1 1 356.470 3.237 20 30 FGEDMO N#CCCCOc1cccc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000601967718 507532063 /nfs/dbraw/zinc/53/20/63/507532063.db2.gz XJJSRDUTGPVBEQ-JOCHJYFZSA-N 1 1 365.477 3.418 20 30 FGEDMO C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)(C)C ZINC000584836507 507532528 /nfs/dbraw/zinc/53/25/28/507532528.db2.gz LVWOMQBAMUJLDE-HNNXBMFYSA-N 1 1 372.513 3.086 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(F)F)C2)ccc1Cl ZINC000611179954 507549881 /nfs/dbraw/zinc/54/98/81/507549881.db2.gz OIYCVWUUVUTCPJ-ZDUSSCGKSA-N 1 1 355.816 3.482 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(F)F)C2)ccc1Cl ZINC000611179954 507549891 /nfs/dbraw/zinc/54/98/91/507549891.db2.gz OIYCVWUUVUTCPJ-ZDUSSCGKSA-N 1 1 355.816 3.482 20 30 FGEDMO CCCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592258210 507566552 /nfs/dbraw/zinc/56/65/52/507566552.db2.gz OBVZULSJDUABFR-CQSZACIVSA-N 1 1 370.375 3.405 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)c1C ZINC000595671400 507620118 /nfs/dbraw/zinc/62/01/18/507620118.db2.gz FUFDLUXZDJEMGE-IEBWSBKVSA-N 1 1 357.498 3.033 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000595692281 507631291 /nfs/dbraw/zinc/63/12/91/507631291.db2.gz MZDPMRVQDDJRDX-OTWHNJEPSA-N 1 1 354.498 3.341 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(C#N)c1C ZINC000611350810 507636936 /nfs/dbraw/zinc/63/69/36/507636936.db2.gz STPDLCVXNYMALV-HZPDHXFCSA-N 1 1 361.511 3.314 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(C#N)c1C ZINC000611350810 507636941 /nfs/dbraw/zinc/63/69/41/507636941.db2.gz STPDLCVXNYMALV-HZPDHXFCSA-N 1 1 361.511 3.314 20 30 FGEDMO C=CCN(Cc1ccccc1F)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607300504 507683845 /nfs/dbraw/zinc/68/38/45/507683845.db2.gz FDYLQTCHGBLTJF-OAQYLSRUSA-N 1 1 368.452 3.241 20 30 FGEDMO C=CCN(Cc1ccccc1F)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607300504 507683849 /nfs/dbraw/zinc/68/38/49/507683849.db2.gz FDYLQTCHGBLTJF-OAQYLSRUSA-N 1 1 368.452 3.241 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)o2)cc1 ZINC000595790419 507687055 /nfs/dbraw/zinc/68/70/55/507687055.db2.gz PVLFMHSYAPYCBB-MSOLQXFVSA-N 1 1 352.438 3.389 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H]3C[C@@H]3C2)c1C#N ZINC000595806746 507695620 /nfs/dbraw/zinc/69/56/20/507695620.db2.gz FXNDLOKQKPZRFK-IAGOWNOFSA-N 1 1 366.465 3.288 20 30 FGEDMO N#Cc1ccc(NCC(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000586875408 507701436 /nfs/dbraw/zinc/70/14/36/507701436.db2.gz KQJGAGZSWIJJOA-FQEVSTJZSA-N 1 1 374.444 3.210 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)s1 ZINC000595915461 507743280 /nfs/dbraw/zinc/74/32/80/507743280.db2.gz ZQMWPTWEUQMDAJ-INIZCTEOSA-N 1 1 355.463 3.375 20 30 FGEDMO C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736722805 600598895 /nfs/dbraw/zinc/59/88/95/600598895.db2.gz DUPNGASCEWHUCR-IIBYNOLFSA-N 1 1 363.461 3.499 20 30 FGEDMO C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722683 601321834 /nfs/dbraw/zinc/32/18/34/601321834.db2.gz HOGUENOZTQDXRD-PZJWPPBQSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722683 601321835 /nfs/dbraw/zinc/32/18/35/601321835.db2.gz HOGUENOZTQDXRD-PZJWPPBQSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722683 601321838 /nfs/dbraw/zinc/32/18/38/601321838.db2.gz HOGUENOZTQDXRD-PZJWPPBQSA-N 1 1 363.461 3.138 20 30 FGEDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(OCCCC#N)c1 ZINC000825962388 608524359 /nfs/dbraw/zinc/52/43/59/608524359.db2.gz YRJAUTUXLWFGLR-UHFFFAOYSA-N 1 1 362.437 3.181 20 30 FGEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ncccc1C(F)(F)F ZINC000823915111 608632055 /nfs/dbraw/zinc/63/20/55/608632055.db2.gz SFQODSAHJULLGT-UHFFFAOYSA-N 1 1 374.370 3.469 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ncccc1C(F)(F)F ZINC000823915111 608632058 /nfs/dbraw/zinc/63/20/58/608632058.db2.gz SFQODSAHJULLGT-UHFFFAOYSA-N 1 1 374.370 3.469 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000826330617 608880570 /nfs/dbraw/zinc/88/05/70/608880570.db2.gz AWHQKFKAWLACSS-OQFOIZHKSA-N 1 1 374.379 3.396 20 30 FGEDMO C[C@@H](CNC(=O)/C=C/c1ccccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000032429125 695744740 /nfs/dbraw/zinc/74/47/40/695744740.db2.gz NVYCHGAKDZNZDG-LFAOLKIESA-N 1 1 351.475 3.196 20 30 FGEDMO C=C(Br)CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000069243897 695948504 /nfs/dbraw/zinc/94/85/04/695948504.db2.gz RKOMZXOPLDZYIO-UHFFFAOYSA-N 1 1 358.324 3.193 20 30 FGEDMO C[C@@H](O[NH+]=C(N)C1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000112087426 700554072 /nfs/dbraw/zinc/55/40/72/700554072.db2.gz PZVYIEHCSRLFJM-SECBINFHSA-N 1 1 360.241 3.036 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000132205262 700825087 /nfs/dbraw/zinc/82/50/87/700825087.db2.gz NCSQCMGMUWXVDV-LBPRGKRZSA-N 1 1 363.849 3.053 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000136805189 704864720 /nfs/dbraw/zinc/86/47/20/704864720.db2.gz KVRWMJSQCGGYHN-GFCCVEGCSA-N 1 1 362.271 3.213 20 30 FGEDMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1csc(C2CC2)n1 ZINC000153277996 704991576 /nfs/dbraw/zinc/99/15/76/704991576.db2.gz OIDPKHPUOPKDJL-LLVKDONJSA-N 1 1 368.503 3.312 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000171199108 705378292 /nfs/dbraw/zinc/37/82/92/705378292.db2.gz HOMHRASOMSLYOP-CYBMUJFWSA-N 1 1 372.332 3.168 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@H+]2CC[C@@H](COCCOC)C2)c1=S ZINC000173395205 705457218 /nfs/dbraw/zinc/45/72/18/705457218.db2.gz VVWMXKOUQGABQB-MRXNPFEDSA-N 1 1 361.511 3.301 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@@H](COCCOC)C2)c1=S ZINC000173395205 705457219 /nfs/dbraw/zinc/45/72/19/705457219.db2.gz VVWMXKOUQGABQB-MRXNPFEDSA-N 1 1 361.511 3.301 20 30 FGEDMO C=C(Cl)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000309514509 713795956 /nfs/dbraw/zinc/79/59/56/713795956.db2.gz QXYSAUHUWLZXEP-UHFFFAOYSA-N 1 1 352.559 3.042 20 30 FGEDMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000523911244 714258353 /nfs/dbraw/zinc/25/83/53/714258353.db2.gz ZDZYNLUBSWQXLT-HNNXBMFYSA-N 1 1 369.918 3.145 20 30 FGEDMO CC1CC(C#N)(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000526055259 714400766 /nfs/dbraw/zinc/40/07/66/714400766.db2.gz VUOWLKKPWQKGSC-UHFFFAOYSA-N 1 1 350.260 3.389 20 30 FGEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C#N)cn2)cc1Br ZINC000527035694 714422717 /nfs/dbraw/zinc/42/27/17/714422717.db2.gz CSBAMJMFPDSSFS-UHFFFAOYSA-N 1 1 359.227 3.030 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1)C1CC1 ZINC000579546488 714493922 /nfs/dbraw/zinc/49/39/22/714493922.db2.gz LZYSHJBOXJCESR-AEFFLSMTSA-N 1 1 363.914 3.315 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1)C1CC1 ZINC000579546488 714493923 /nfs/dbraw/zinc/49/39/23/714493923.db2.gz LZYSHJBOXJCESR-AEFFLSMTSA-N 1 1 363.914 3.315 20 30 FGEDMO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748794 714865905 /nfs/dbraw/zinc/86/59/05/714865905.db2.gz VKOSHYMBUKXMAX-UHFFFAOYSA-N 1 1 372.778 3.485 20 30 FGEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619827139 714873883 /nfs/dbraw/zinc/87/38/83/714873883.db2.gz ULKYHSOPVDFBHT-UHFFFAOYSA-N 1 1 362.905 3.473 20 30 FGEDMO COc1cc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)ccc1C#N ZINC000619846194 714875011 /nfs/dbraw/zinc/87/50/11/714875011.db2.gz XHJUIIDAPLBXQD-UHFFFAOYSA-N 1 1 357.479 3.075 20 30 FGEDMO COc1cc(C[N@@H+](CCNC(C)=O)Cc2ccc(C)s2)ccc1C#N ZINC000619846194 714875013 /nfs/dbraw/zinc/87/50/13/714875013.db2.gz XHJUIIDAPLBXQD-UHFFFAOYSA-N 1 1 357.479 3.075 20 30 FGEDMO C=CCOc1c(Cl)cc(CNC[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC000623439426 715336500 /nfs/dbraw/zinc/33/65/00/715336500.db2.gz IXRYBFPOGHVDFS-SFHVURJKSA-N 1 1 370.946 3.440 20 30 FGEDMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000625699676 715775183 /nfs/dbraw/zinc/77/51/83/715775183.db2.gz CJVUZRRBSOAJQI-LBPRGKRZSA-N 1 1 357.317 3.367 20 30 FGEDMO C=CCN1CCC([NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638524100 717454101 /nfs/dbraw/zinc/45/41/01/717454101.db2.gz LMXWXHVPGVPQHF-UHFFFAOYSA-N 1 1 350.260 3.330 20 30 FGEDMO C=CC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000639045163 717508314 /nfs/dbraw/zinc/50/83/14/717508314.db2.gz UDFXJPDQUPKKER-CYBMUJFWSA-N 1 1 367.421 3.133 20 30 FGEDMO CCC[NH+]1CCN(c2ccccc2C=[NH+][N-]c2ncncc2Cl)CC1 ZINC000780279312 724456487 /nfs/dbraw/zinc/45/64/87/724456487.db2.gz BFSQZFDTHWORHW-UHFFFAOYSA-N 1 1 358.877 3.108 20 30 FGEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000651076698 718764542 /nfs/dbraw/zinc/76/45/42/718764542.db2.gz PUFNIYHYORQRRE-IEBWSBKVSA-N 1 1 351.535 3.312 20 30 FGEDMO C#C[C@H](NC(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(Cl)cc1F ZINC000804950068 724568507 /nfs/dbraw/zinc/56/85/07/724568507.db2.gz MJRLSSPDSZTRRN-GUYCJALGSA-N 1 1 351.853 3.185 20 30 FGEDMO C[C@@H]1CN(c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)[C@@H](C)C[N@H+]1C ZINC001164638030 719204520 /nfs/dbraw/zinc/20/45/20/719204520.db2.gz MYNLADMPOFZHKA-NEPJUHHUSA-N 1 1 359.836 3.337 20 30 FGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(C)c1C#N)C2 ZINC001164810367 720075919 /nfs/dbraw/zinc/07/59/19/720075919.db2.gz LGRRCXSGJUKQMK-OXQOHEQNSA-N 1 1 374.916 3.100 20 30 FGEDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc(C#N)cn4)CC3)C2)cc1 ZINC001164938383 721919823 /nfs/dbraw/zinc/91/98/23/721919823.db2.gz MSFBJTWDLYKRCY-UHFFFAOYSA-N 1 1 362.477 3.133 20 30 FGEDMO N#Cc1cc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164953858 722012329 /nfs/dbraw/zinc/01/23/29/722012329.db2.gz HGGOIUFXLRRGMU-UHFFFAOYSA-N 1 1 367.884 3.494 20 30 FGEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)/C=C\c3ccccc3C#N)sc2C1 ZINC000784144666 724825233 /nfs/dbraw/zinc/82/52/33/724825233.db2.gz UVIJGOAYJAJZRZ-FPLPWBNLSA-N 1 1 352.463 3.433 20 30 FGEDMO CC(C)[N@H+]1CCc2nc(NC(=O)/C=C\c3ccccc3C#N)sc2C1 ZINC000784144666 724825237 /nfs/dbraw/zinc/82/52/37/724825237.db2.gz UVIJGOAYJAJZRZ-FPLPWBNLSA-N 1 1 352.463 3.433 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000729811874 722462833 /nfs/dbraw/zinc/46/28/33/722462833.db2.gz FELKOWGMWGKSBI-HNNXBMFYSA-N 1 1 355.356 3.159 20 30 FGEDMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000733254116 722494546 /nfs/dbraw/zinc/49/45/46/722494546.db2.gz SEWFJJBEWWFSQG-HNNXBMFYSA-N 1 1 361.243 3.115 20 30 FGEDMO CC(C)CNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735307081 722514720 /nfs/dbraw/zinc/51/47/20/722514720.db2.gz ZMUXSAASIUYUEP-UHFFFAOYSA-N 1 1 363.889 3.227 20 30 FGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000735673638 722518264 /nfs/dbraw/zinc/51/82/64/722518264.db2.gz FGOFUEGXGGIGFY-IPYPFGDCSA-N 1 1 352.463 3.049 20 30 FGEDMO CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000746144857 722593671 /nfs/dbraw/zinc/59/36/71/722593671.db2.gz NYCPARUPVGAXQO-QGZVFWFLSA-N 1 1 353.388 3.336 20 30 FGEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000746144857 722593672 /nfs/dbraw/zinc/59/36/72/722593672.db2.gz NYCPARUPVGAXQO-QGZVFWFLSA-N 1 1 353.388 3.336 20 30 FGEDMO C#CC[N@H+](CCC(C)(C)O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000749791091 722740896 /nfs/dbraw/zinc/74/08/96/722740896.db2.gz UHJJPJFJAWJIPG-OAHLLOKOSA-N 1 1 352.272 3.369 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000749810601 722742758 /nfs/dbraw/zinc/74/27/58/722742758.db2.gz NHGCCVUEMGLWTG-CYBMUJFWSA-N 1 1 350.846 3.406 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000749810601 722742762 /nfs/dbraw/zinc/74/27/62/722742762.db2.gz NHGCCVUEMGLWTG-CYBMUJFWSA-N 1 1 350.846 3.406 20 30 FGEDMO C#C[C@@H](CC)Nc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000752924668 722878014 /nfs/dbraw/zinc/87/80/14/722878014.db2.gz HYDDJWUAIMUUDU-LBPRGKRZSA-N 1 1 360.483 3.062 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000759177530 723000924 /nfs/dbraw/zinc/00/09/24/723000924.db2.gz ZDMFOHLICZLKJG-UHFFFAOYSA-N 1 1 351.277 3.193 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792907594 723380631 /nfs/dbraw/zinc/38/06/31/723380631.db2.gz TWUMBZYJGWPFGR-NFAWXSAZSA-N 1 1 358.313 3.233 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792907594 723380632 /nfs/dbraw/zinc/38/06/32/723380632.db2.gz TWUMBZYJGWPFGR-NFAWXSAZSA-N 1 1 358.313 3.233 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCN(C)CC2)cc1 ZINC000764841052 723452128 /nfs/dbraw/zinc/45/21/28/723452128.db2.gz QMXOZMTXNFKSBG-KRWDZBQOSA-N 1 1 365.949 3.495 20 30 FGEDMO C#C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1F ZINC000796597837 723645699 /nfs/dbraw/zinc/64/56/99/723645699.db2.gz AJQOZEQDQSFQNP-CXAGYDPISA-N 1 1 351.853 3.327 20 30 FGEDMO CNC(=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000796611637 723646543 /nfs/dbraw/zinc/64/65/43/723646543.db2.gz LJTSASUCBSIBJY-QGZVFWFLSA-N 1 1 357.841 3.209 20 30 FGEDMO C#CC[NH+]1CCC(c2nc(CCc3ccccc3Br)no2)CC1 ZINC000770891044 723722932 /nfs/dbraw/zinc/72/29/32/723722932.db2.gz MASMXIGNOFNFIT-UHFFFAOYSA-N 1 1 374.282 3.430 20 30 FGEDMO C=CCCC(=O)Nc1ccc(COC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000774585699 723908819 /nfs/dbraw/zinc/90/88/19/723908819.db2.gz QZSAFCQPYWTUMS-KRWDZBQOSA-N 1 1 362.495 3.072 20 30 FGEDMO C=CCCC(=O)Nc1ccc(COC(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000774585699 723908823 /nfs/dbraw/zinc/90/88/23/723908823.db2.gz QZSAFCQPYWTUMS-KRWDZBQOSA-N 1 1 362.495 3.072 20 30 FGEDMO Clc1ccc(Cl)c(C=NNCCC[NH+]2CCOCC2)c1Cl ZINC000799486651 724034338 /nfs/dbraw/zinc/03/43/38/724034338.db2.gz JUTCUJLWMIDNNU-UHFFFAOYSA-N 1 1 350.677 3.293 20 30 FGEDMO C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000775795825 724062597 /nfs/dbraw/zinc/06/25/97/724062597.db2.gz ZUAPKJGETKDCAO-VZJVUDMVSA-N 1 1 374.790 3.456 20 30 FGEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000801925654 724346743 /nfs/dbraw/zinc/34/67/43/724346743.db2.gz PQSZSUDMEVBMCP-DOMZBBRYSA-N 1 1 370.234 3.357 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000801925654 724346746 /nfs/dbraw/zinc/34/67/46/724346746.db2.gz PQSZSUDMEVBMCP-DOMZBBRYSA-N 1 1 370.234 3.357 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1F ZINC000805778489 725094769 /nfs/dbraw/zinc/09/47/69/725094769.db2.gz CLXXPYKKSHYRLW-CXAGYDPISA-N 1 1 351.853 3.185 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000809697335 725259737 /nfs/dbraw/zinc/25/97/37/725259737.db2.gz DYBRCBPEQRHEEN-WBVHZDCISA-N 1 1 355.404 3.029 20 30 FGEDMO C[NH+]1CCN(N=Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000811628669 725375194 /nfs/dbraw/zinc/37/51/94/725375194.db2.gz HYKOUKIJHYADLX-UHFFFAOYSA-N 1 1 350.182 3.049 20 30 FGEDMO CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)o1 ZINC000814658481 726990417 /nfs/dbraw/zinc/99/04/17/726990417.db2.gz FCBVGSQUKBZTTB-KRWDZBQOSA-N 1 1 361.467 3.055 20 30 FGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814673883 726992095 /nfs/dbraw/zinc/99/20/95/726992095.db2.gz QWDQLOQIDITLLY-BZSNNMDCSA-N 1 1 352.519 3.283 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccnc(Br)c3)CC2)cc1 ZINC000815012650 727019368 /nfs/dbraw/zinc/01/93/68/727019368.db2.gz FYRHTESWBANUEY-UHFFFAOYSA-N 1 1 371.282 3.034 20 30 FGEDMO CN(C)C(=O)OC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000815189163 727050096 /nfs/dbraw/zinc/05/00/96/727050096.db2.gz KTWSJWXQRWUYHR-UHFFFAOYSA-N 1 1 354.372 3.220 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(CSc2nc(C)cs2)cc1 ZINC000818593361 727315775 /nfs/dbraw/zinc/31/57/75/727315775.db2.gz VVPWQXOUTLJILP-UHFFFAOYSA-N 1 1 373.547 3.429 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)CCSc1ccccc1Br ZINC000818602889 727316536 /nfs/dbraw/zinc/31/65/36/727316536.db2.gz IXPOULAEOXPCAX-UHFFFAOYSA-N 1 1 369.328 3.003 20 30 FGEDMO COc1ccc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)cc1Br ZINC000821031769 729051937 /nfs/dbraw/zinc/05/19/37/729051937.db2.gz NGZFIFNPYSKHPM-SREVYHEPSA-N 1 1 364.243 3.153 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)c(F)cc2Br)CC1 ZINC000822934771 729233699 /nfs/dbraw/zinc/23/36/99/729233699.db2.gz HYQXHBHOADROCS-UHFFFAOYSA-N 1 1 373.653 3.023 20 30 FGEDMO C#CCOc1ccc(C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)cc1 ZINC000824926881 729365400 /nfs/dbraw/zinc/36/54/00/729365400.db2.gz WMSOKHCIRKGEOX-UHFFFAOYSA-N 1 1 357.763 3.394 20 30 FGEDMO C#CC[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000825820992 729396354 /nfs/dbraw/zinc/39/63/54/729396354.db2.gz CLKRZLGYAMJNPK-ROUUACIJSA-N 1 1 359.539 3.405 20 30 FGEDMO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827912947 729436997 /nfs/dbraw/zinc/43/69/97/729436997.db2.gz OJBVDUHNVDOKSD-JEBQAFNWSA-N 1 1 366.864 3.157 20 30 FGEDMO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000827912947 729436998 /nfs/dbraw/zinc/43/69/98/729436998.db2.gz OJBVDUHNVDOKSD-JEBQAFNWSA-N 1 1 366.864 3.157 20 30 FGEDMO C#CCO[C@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000828260005 729441717 /nfs/dbraw/zinc/44/17/17/729441717.db2.gz VHEVTXHZZGISKM-CYBMUJFWSA-N 1 1 369.292 3.112 20 30 FGEDMO C[N@@H+](Cc1cc2c(cc1Cl)OCCO2)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372415 730708857 /nfs/dbraw/zinc/70/88/57/730708857.db2.gz YIZYWSRGZVWGMP-QGZVFWFLSA-N 1 1 358.825 3.148 20 30 FGEDMO C[N@H+](Cc1cc2c(cc1Cl)OCCO2)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372415 730708859 /nfs/dbraw/zinc/70/88/59/730708859.db2.gz YIZYWSRGZVWGMP-QGZVFWFLSA-N 1 1 358.825 3.148 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844435432 730717661 /nfs/dbraw/zinc/71/76/61/730717661.db2.gz DDQKUBVGMMGKHH-HILOLKJVSA-N 1 1 353.457 3.427 20 30 FGEDMO N#CCSCC(=O)Oc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000845717048 730886916 /nfs/dbraw/zinc/88/69/16/730886916.db2.gz YTPUSAZLPALHNZ-UHFFFAOYSA-N 1 1 352.459 3.407 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1F ZINC000858448885 732216025 /nfs/dbraw/zinc/21/60/25/732216025.db2.gz SZWRAWVSYLVYRJ-GUYCJALGSA-N 1 1 351.853 3.185 20 30 FGEDMO C[N@@H+]1CCC(=NN[C@H]2CCCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000863108190 732915107 /nfs/dbraw/zinc/91/51/07/732915107.db2.gz IMIYJKHEYWTBHT-DLBZAZTESA-N 1 1 366.303 3.340 20 30 FGEDMO C[N@H+]1CCC(=NN[C@H]2CCCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000863108190 732915110 /nfs/dbraw/zinc/91/51/10/732915110.db2.gz IMIYJKHEYWTBHT-DLBZAZTESA-N 1 1 366.303 3.340 20 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CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000026662871 494833508 /nfs/dbraw/zinc/83/35/08/494833508.db2.gz WNEITAWOLZUSCF-GOSISDBHSA-N 1 1 365.433 3.049 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000026662871 494833512 /nfs/dbraw/zinc/83/35/12/494833512.db2.gz WNEITAWOLZUSCF-GOSISDBHSA-N 1 1 365.433 3.049 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000121693220 494839375 /nfs/dbraw/zinc/83/93/75/494839375.db2.gz LNBVCIXJXIJBHZ-CALCHBBNSA-N 1 1 359.489 3.409 20 30 FGEDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000121693220 494839380 /nfs/dbraw/zinc/83/93/80/494839380.db2.gz LNBVCIXJXIJBHZ-CALCHBBNSA-N 1 1 359.489 3.409 20 30 FGEDMO C=CC[N@@H+](CC(=O)NCc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000027775574 494884896 /nfs/dbraw/zinc/88/48/96/494884896.db2.gz SNGLFOPPSBVKOP-UHFFFAOYSA-N 1 1 354.450 3.008 20 30 FGEDMO C=CC[N@H+](CC(=O)NCc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000027775574 494884900 /nfs/dbraw/zinc/88/49/00/494884900.db2.gz SNGLFOPPSBVKOP-UHFFFAOYSA-N 1 1 354.450 3.008 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)NC3(C#N)CCCCC3)cc2)C[C@H](C)O1 ZINC000117387695 494916033 /nfs/dbraw/zinc/91/60/33/494916033.db2.gz ALVCUMAEDVGNLV-IRXDYDNUSA-N 1 1 355.482 3.252 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)c1 ZINC000109797418 494919334 /nfs/dbraw/zinc/91/93/34/494919334.db2.gz UQBIYKPZNLJOKO-UHFFFAOYSA-N 1 1 355.445 3.337 20 30 FGEDMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000117442436 494920084 /nfs/dbraw/zinc/92/00/84/494920084.db2.gz ZCNRLQRKJRZBAL-MRXNPFEDSA-N 1 1 358.486 3.062 20 30 FGEDMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000117442436 494920087 /nfs/dbraw/zinc/92/00/87/494920087.db2.gz ZCNRLQRKJRZBAL-MRXNPFEDSA-N 1 1 358.486 3.062 20 30 FGEDMO C[N@H+](CC(=O)N[C@@H](C#N)c1cccc(Br)c1)Cc1ccccc1 ZINC000127635589 494973930 /nfs/dbraw/zinc/97/39/30/494973930.db2.gz JQIBBLPVPCYDHK-KRWDZBQOSA-N 1 1 372.266 3.262 20 30 FGEDMO C[N@@H+](CC(=O)N[C@@H](C#N)c1cccc(Br)c1)Cc1ccccc1 ZINC000127635589 494973932 /nfs/dbraw/zinc/97/39/32/494973932.db2.gz JQIBBLPVPCYDHK-KRWDZBQOSA-N 1 1 372.266 3.262 20 30 FGEDMO CCOCC[NH+]1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000110920138 495020792 /nfs/dbraw/zinc/02/07/92/495020792.db2.gz WAMKSTDLKITKTR-UHFFFAOYSA-N 1 1 363.461 3.020 20 30 FGEDMO C=CC1CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000111257262 495055367 /nfs/dbraw/zinc/05/53/67/495055367.db2.gz JLZCXXPLDMPTCK-UHFFFAOYSA-N 1 1 358.301 3.121 20 30 FGEDMO C[C@H](C#N)Oc1ccc(CNCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000111403628 495070961 /nfs/dbraw/zinc/07/09/61/495070961.db2.gz WTTLOTJSDJOPSP-GOSISDBHSA-N 1 1 357.498 3.102 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128289624 495074254 /nfs/dbraw/zinc/07/42/54/495074254.db2.gz QXGDTSFIPFEURB-INIZCTEOSA-N 1 1 357.376 3.071 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128289624 495074256 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ZINC000249547549 497219645 /nfs/dbraw/zinc/21/96/45/497219645.db2.gz GQMWFMYLSUPSDR-DENIHFKCSA-N 1 1 371.525 3.423 20 30 FGEDMO COc1cc(C#N)ccc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275052917 497228334 /nfs/dbraw/zinc/22/83/34/497228334.db2.gz MDCJOBSFOOEDCQ-UHFFFAOYSA-N 1 1 358.829 3.054 20 30 FGEDMO COc1ccc(C[NH+]2CCC(Oc3cncc(Cl)n3)CC2)cc1C#N ZINC000275061440 497230361 /nfs/dbraw/zinc/23/03/61/497230361.db2.gz PXKVPGFAVBPAKO-UHFFFAOYSA-N 1 1 358.829 3.054 20 30 FGEDMO CC(=O)N1CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000193039553 497284157 /nfs/dbraw/zinc/28/41/57/497284157.db2.gz WOLVTIZPHCKCAJ-UHFFFAOYSA-N 1 1 361.489 3.441 20 30 FGEDMO CC(C)(O)C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000189952540 497304319 /nfs/dbraw/zinc/30/43/19/497304319.db2.gz HXQXNIGFXPLOFX-UHFFFAOYSA-N 1 1 361.511 3.062 20 30 FGEDMO CC(C)(O)C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000189952540 497304320 /nfs/dbraw/zinc/30/43/20/497304320.db2.gz HXQXNIGFXPLOFX-UHFFFAOYSA-N 1 1 361.511 3.062 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1OCCCC#N ZINC000271275059 497309743 /nfs/dbraw/zinc/30/97/43/497309743.db2.gz KPYAFRVEQPEQBW-KRWDZBQOSA-N 1 1 369.469 3.184 20 30 FGEDMO COc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OCCCC#N ZINC000271275059 497309745 /nfs/dbraw/zinc/30/97/45/497309745.db2.gz KPYAFRVEQPEQBW-KRWDZBQOSA-N 1 1 369.469 3.184 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1OCCCC#N ZINC000271275059 497309751 /nfs/dbraw/zinc/30/97/51/497309751.db2.gz KPYAFRVEQPEQBW-KRWDZBQOSA-N 1 1 369.469 3.184 20 30 FGEDMO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)cc1OCCCC#N ZINC000271275059 497309756 /nfs/dbraw/zinc/30/97/56/497309756.db2.gz KPYAFRVEQPEQBW-KRWDZBQOSA-N 1 1 369.469 3.184 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)cc1OCCCC#N ZINC000271275059 497309759 /nfs/dbraw/zinc/30/97/59/497309759.db2.gz KPYAFRVEQPEQBW-KRWDZBQOSA-N 1 1 369.469 3.184 20 30 FGEDMO C#CCn1ccc(CN(CC)C(=O)c2ccc(C[N@H+](CC)CCC)cc2)n1 ZINC000279095137 497330891 /nfs/dbraw/zinc/33/08/91/497330891.db2.gz IWMJDXOSIHWOJJ-UHFFFAOYSA-N 1 1 366.509 3.411 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC000193328288 497351993 /nfs/dbraw/zinc/35/19/93/497351993.db2.gz YXDUZLJYOLECNH-CABCVRRESA-N 1 1 369.494 3.045 20 30 FGEDMO CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245414299 497394445 /nfs/dbraw/zinc/39/44/45/497394445.db2.gz CESJQWQWRMTMAZ-KBXCAEBGSA-N 1 1 362.905 3.202 20 30 FGEDMO CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245414299 497394447 /nfs/dbraw/zinc/39/44/47/497394447.db2.gz CESJQWQWRMTMAZ-KBXCAEBGSA-N 1 1 362.905 3.202 20 30 FGEDMO COCC[N@H+](Cc1ccco1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279338334 497410764 /nfs/dbraw/zinc/41/07/64/497410764.db2.gz DOGNCRHBEYBSFO-UHFFFAOYSA-N 1 1 365.437 3.100 20 30 FGEDMO COCC[N@@H+](Cc1ccco1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279338334 497410767 /nfs/dbraw/zinc/41/07/67/497410767.db2.gz DOGNCRHBEYBSFO-UHFFFAOYSA-N 1 1 365.437 3.100 20 30 FGEDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000193607599 497425488 /nfs/dbraw/zinc/42/54/88/497425488.db2.gz GOAOXSVPNIDCNY-UHFFFAOYSA-N 1 1 352.413 3.356 20 30 FGEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)N(CCC#N)c1ccccc1)CC2 ZINC000245499918 497430997 /nfs/dbraw/zinc/43/09/97/497430997.db2.gz ZCMOZAGYXIPFEC-TYPHKJRUSA-N 1 1 368.525 3.269 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c2ccccc21 ZINC000266917178 497445001 /nfs/dbraw/zinc/44/50/01/497445001.db2.gz LAWSDPUDVAZOAF-INIZCTEOSA-N 1 1 361.449 3.340 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c2ccccc21 ZINC000266917178 497445006 /nfs/dbraw/zinc/44/50/06/497445006.db2.gz LAWSDPUDVAZOAF-INIZCTEOSA-N 1 1 361.449 3.340 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cccn2C)c(OC)c1 ZINC000193737125 497463255 /nfs/dbraw/zinc/46/32/55/497463255.db2.gz SRXRUVVZWLYICW-ICSRJNTNSA-N 1 1 370.493 3.339 20 30 FGEDMO N#Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000193757797 497470506 /nfs/dbraw/zinc/47/05/06/497470506.db2.gz HMLBSCCHUXREJC-INIZCTEOSA-N 1 1 352.413 3.341 20 30 FGEDMO COc1ccc(CCC[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000193787470 497482020 /nfs/dbraw/zinc/48/20/20/497482020.db2.gz ZKTMQLKXQZOIBV-UHFFFAOYSA-N 1 1 351.450 3.460 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000245742170 497524315 /nfs/dbraw/zinc/52/43/15/497524315.db2.gz FEVGBOWZGKDWEP-PBHICJAKSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000245742170 497524314 /nfs/dbraw/zinc/52/43/14/497524314.db2.gz FEVGBOWZGKDWEP-PBHICJAKSA-N 1 1 361.511 3.112 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1OCC ZINC000193955060 497532284 /nfs/dbraw/zinc/53/22/84/497532284.db2.gz JSOJIKCVUPJGAD-UHFFFAOYSA-N 1 1 366.465 3.073 20 30 FGEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000267379781 497539175 /nfs/dbraw/zinc/53/91/75/497539175.db2.gz ZNSRONYMRLUULK-IBGZPJMESA-N 1 1 362.477 3.287 20 30 FGEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC2(CCOCC2)O1 ZINC000279844712 497561155 /nfs/dbraw/zinc/56/11/55/497561155.db2.gz RTEWELIMLIRODS-OAHLLOKOSA-N 1 1 369.383 3.207 20 30 FGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC2(CCOCC2)O1 ZINC000279844712 497561158 /nfs/dbraw/zinc/56/11/58/497561158.db2.gz RTEWELIMLIRODS-OAHLLOKOSA-N 1 1 369.383 3.207 20 30 FGEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000245929178 497575099 /nfs/dbraw/zinc/57/50/99/497575099.db2.gz ISWBIPRIUNDWOL-ZHALLVOQSA-N 1 1 372.513 3.218 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272425148 497624443 /nfs/dbraw/zinc/62/44/43/497624443.db2.gz DTQWFXFZQRYNHG-PKOBYXMFSA-N 1 1 354.498 3.375 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[C@H]2O)c1 ZINC000246183888 497651443 /nfs/dbraw/zinc/65/14/43/497651443.db2.gz DFAOQBQRPXGABQ-CMKODMSKSA-N 1 1 357.498 3.031 20 30 FGEDMO C[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(Br)cc1 ZINC000272555216 497661680 /nfs/dbraw/zinc/66/16/80/497661680.db2.gz LENBBOGPQARQLO-CYBMUJFWSA-N 1 1 364.287 3.252 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)Nc2sccc2C#N)C1 ZINC000246265309 497677790 /nfs/dbraw/zinc/67/77/90/497677790.db2.gz AEQFZEFSUHCQSS-HOTGVXAUSA-N 1 1 360.527 3.145 20 30 FGEDMO C=CCC(CC=C)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000268179076 497694026 /nfs/dbraw/zinc/69/40/26/497694026.db2.gz IIRAQHVNGIQZJM-UHFFFAOYSA-N 1 1 357.498 3.020 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246367402 497709633 /nfs/dbraw/zinc/70/96/33/497709633.db2.gz LJQDQCDSFITOQC-FHWLQOOXSA-N 1 1 369.509 3.439 20 30 FGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000194619443 497721106 /nfs/dbraw/zinc/72/11/06/497721106.db2.gz OYVAZCIGHMLVQV-UHFFFAOYSA-N 1 1 363.465 3.462 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C#N)c1C ZINC000246516302 497760165 /nfs/dbraw/zinc/76/01/65/497760165.db2.gz IOQLYZZURZTBFH-QOKNQOGYSA-N 1 1 370.497 3.044 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C2CC2)O1 ZINC000280476735 497765831 /nfs/dbraw/zinc/76/58/31/497765831.db2.gz DDGLVVUEBXKATK-OXQOHEQNSA-N 1 1 350.466 3.463 20 30 FGEDMO N#Cc1cccc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191301480 497773545 /nfs/dbraw/zinc/77/35/45/497773545.db2.gz BUURKVVPFUCKQU-UHFFFAOYSA-N 1 1 367.400 3.141 20 30 FGEDMO N#Cc1cccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191301480 497773552 /nfs/dbraw/zinc/77/35/52/497773552.db2.gz BUURKVVPFUCKQU-UHFFFAOYSA-N 1 1 367.400 3.141 20 30 FGEDMO CN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268539904 497776695 /nfs/dbraw/zinc/77/66/95/497776695.db2.gz KFMWBAOIFPAULZ-FQEVSTJZSA-N 1 1 373.460 3.315 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246587168 497782516 /nfs/dbraw/zinc/78/25/16/497782516.db2.gz CMDLDMHRRMHGKH-LAPQFRIASA-N 1 1 373.522 3.062 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246587168 497782518 /nfs/dbraw/zinc/78/25/18/497782518.db2.gz CMDLDMHRRMHGKH-LAPQFRIASA-N 1 1 373.522 3.062 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1=O ZINC000246608832 497788530 /nfs/dbraw/zinc/78/85/30/497788530.db2.gz XZMPFLYRJPJAGY-QAPCUYQASA-N 1 1 369.465 3.429 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1=O ZINC000246608832 497788532 /nfs/dbraw/zinc/78/85/32/497788532.db2.gz XZMPFLYRJPJAGY-QAPCUYQASA-N 1 1 369.465 3.429 20 30 FGEDMO Cc1sc(NC(=O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2)c(C#N)c1C ZINC000273130498 497802242 /nfs/dbraw/zinc/80/22/42/497802242.db2.gz RJQSTDPVZLZGKT-HNNXBMFYSA-N 1 1 363.870 3.152 20 30 FGEDMO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@H]1CCCO1 ZINC000329539358 497824373 /nfs/dbraw/zinc/82/43/73/497824373.db2.gz WADPIEQDLMONPA-JWMYSTGGSA-N 1 1 363.502 3.325 20 30 FGEDMO C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000329542301 497825695 /nfs/dbraw/zinc/82/56/95/497825695.db2.gz DUSHEKUVIDVSCS-QZTJIDSGSA-N 1 1 352.519 3.431 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cn(C)nc2-c2ccccc2)C[C@@H]1C ZINC000329567405 497831592 /nfs/dbraw/zinc/83/15/92/497831592.db2.gz TVGUQJJOPCNPNB-RDJZCZTQSA-N 1 1 355.486 3.437 20 30 FGEDMO Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C3CC[NH+](CC4CCCC4)CC3)C2)c1 ZINC000329627244 497850579 /nfs/dbraw/zinc/85/05/79/497850579.db2.gz UFKZTUCKGHOQAA-LJQANCHMSA-N 1 1 359.518 3.007 20 30 FGEDMO C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000329635898 497852407 /nfs/dbraw/zinc/85/24/07/497852407.db2.gz UTXMPWVFKQFPRN-KDOFPFPSSA-N 1 1 355.486 3.203 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000575170670 505936502 /nfs/dbraw/zinc/93/65/02/505936502.db2.gz UIPJCWBIMOYBQZ-JKSUJKDBSA-N 1 1 374.428 3.365 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000575170670 505936505 /nfs/dbraw/zinc/93/65/05/505936505.db2.gz UIPJCWBIMOYBQZ-JKSUJKDBSA-N 1 1 374.428 3.365 20 30 FGEDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1(C2CC2)CCOCC1 ZINC000329640451 497853627 /nfs/dbraw/zinc/85/36/27/497853627.db2.gz XCNHCQWWXOEVDC-UHFFFAOYSA-N 1 1 350.503 3.185 20 30 FGEDMO C[C@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCN1C(=O)c1ccccc1 ZINC000329664770 497861331 /nfs/dbraw/zinc/86/13/31/497861331.db2.gz QMLZOSPTKAKDHD-HRAATJIYSA-N 1 1 355.482 3.122 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000581229443 505938107 /nfs/dbraw/zinc/93/81/07/505938107.db2.gz JBMGGEQRPZHLJE-UHFFFAOYSA-N 1 1 351.878 3.003 20 30 FGEDMO Cc1cccc(NC(=O)NC(=O)CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1C ZINC000329678215 497866309 /nfs/dbraw/zinc/86/63/09/497866309.db2.gz WXKKCCYRYSKZLS-DOTOQJQBSA-N 1 1 358.486 3.364 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC3(C2)Oc2ccccc2O3)C1 ZINC000329684067 497869403 /nfs/dbraw/zinc/86/94/03/497869403.db2.gz XXYXWAAPYVNAKW-KRWDZBQOSA-N 1 1 373.497 3.142 20 30 FGEDMO C[C@H](NC(=O)N1CCC[C@H]1c1cccc2c1OCCO2)C1=CC[N@@H+](C)CC1 ZINC000329700645 497874971 /nfs/dbraw/zinc/87/49/71/497874971.db2.gz GVBMWHSPRAKIRW-YJBOKZPZSA-N 1 1 371.481 3.159 20 30 FGEDMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000329721132 497880164 /nfs/dbraw/zinc/88/01/64/497880164.db2.gz ARCBKKHQZWROMP-SJLPKXTDSA-N 1 1 367.497 3.150 20 30 FGEDMO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)sc1C ZINC000329760466 497892162 /nfs/dbraw/zinc/89/21/62/497892162.db2.gz QELODXYTWNXJFE-DZGCQCFKSA-N 1 1 364.515 3.071 20 30 FGEDMO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)sc1C ZINC000329760466 497892167 /nfs/dbraw/zinc/89/21/67/497892167.db2.gz QELODXYTWNXJFE-DZGCQCFKSA-N 1 1 364.515 3.071 20 30 FGEDMO N#Cc1cnccc1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000364316912 497894919 /nfs/dbraw/zinc/89/49/19/497894919.db2.gz UUEVYGCTUMIDCP-UHFFFAOYSA-N 1 1 359.433 3.107 20 30 FGEDMO COCC[C@@H]1CCCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329812102 497910963 /nfs/dbraw/zinc/91/09/63/497910963.db2.gz CENKWVQOLXRHII-ICSRJNTNSA-N 1 1 355.482 3.192 20 30 FGEDMO Cc1nc2cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccc2o1 ZINC000280824054 497911716 /nfs/dbraw/zinc/91/17/16/497911716.db2.gz NPLPYMIOEMLAAG-UHFFFAOYSA-N 1 1 374.444 3.356 20 30 FGEDMO Cc1nc2cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)ccc2o1 ZINC000280824054 497911724 /nfs/dbraw/zinc/91/17/24/497911724.db2.gz NPLPYMIOEMLAAG-UHFFFAOYSA-N 1 1 374.444 3.356 20 30 FGEDMO COc1ccc2c(c1)[C@@H](NC(=O)N1CCC[N@H+](C3CCCC3)CC1)CCO2 ZINC000329826160 497915973 /nfs/dbraw/zinc/91/59/73/497915973.db2.gz CFHDDLSYAIAOQO-IBGZPJMESA-N 1 1 373.497 3.383 20 30 FGEDMO Cc1cc(F)cc(-n2cc(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)nn2)c1 ZINC000329840242 497922177 /nfs/dbraw/zinc/92/21/77/497922177.db2.gz JMYSNBCVHYRRBB-HNNXBMFYSA-N 1 1 357.433 3.036 20 30 FGEDMO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000329847294 497925477 /nfs/dbraw/zinc/92/54/77/497925477.db2.gz YMRZCXWVZXCSES-DJJJIMSYSA-N 1 1 361.442 3.392 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000329855130 497928440 /nfs/dbraw/zinc/92/84/40/497928440.db2.gz XBPUIUNFAYWPCC-NMWPEEMBSA-N 1 1 366.531 3.213 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000329855130 497928448 /nfs/dbraw/zinc/92/84/48/497928448.db2.gz XBPUIUNFAYWPCC-NMWPEEMBSA-N 1 1 366.531 3.213 20 30 FGEDMO C=CCN1CC[C@@H]([NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)C1=O ZINC000296227027 497963836 /nfs/dbraw/zinc/96/38/36/497963836.db2.gz KKGLPIMTRONCML-GFCCVEGCSA-N 1 1 359.417 3.128 20 30 FGEDMO CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccc(F)c(C#N)c2)CC1 ZINC000292366285 497987761 /nfs/dbraw/zinc/98/77/61/497987761.db2.gz IOQDTJKVNJDXIY-UHFFFAOYSA-N 1 1 372.469 3.167 20 30 FGEDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(F)c(C#N)c2)CC1 ZINC000292366285 497987767 /nfs/dbraw/zinc/98/77/67/497987767.db2.gz IOQDTJKVNJDXIY-UHFFFAOYSA-N 1 1 372.469 3.167 20 30 FGEDMO C=CC[C@H]1[N@H+](Cc2nnc3n2c2ccccc2c(=O)n3C)CCCC1(C)C ZINC000569551756 505961911 /nfs/dbraw/zinc/96/19/11/505961911.db2.gz CMCUAVIDBUTXNF-QGZVFWFLSA-N 1 1 365.481 3.148 20 30 FGEDMO C=CC[C@H]1[N@@H+](Cc2nnc3n2c2ccccc2c(=O)n3C)CCCC1(C)C ZINC000569551756 505961916 /nfs/dbraw/zinc/96/19/16/505961916.db2.gz CMCUAVIDBUTXNF-QGZVFWFLSA-N 1 1 365.481 3.148 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000330085541 498016190 /nfs/dbraw/zinc/01/61/90/498016190.db2.gz CXEDLDLSQFZIHD-CXAGYDPISA-N 1 1 359.861 3.097 20 30 FGEDMO CC(C)(CNC(=O)N[C@@H]1CCOC2(CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000330222359 498067272 /nfs/dbraw/zinc/06/72/72/498067272.db2.gz RTHWHTLKJRQLIM-LJQANCHMSA-N 1 1 371.525 3.429 20 30 FGEDMO O=C(NCc1ccccc1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330227185 498068619 /nfs/dbraw/zinc/06/86/19/498068619.db2.gz UVGRSLVOPDXNRY-IBGZPJMESA-N 1 1 355.482 3.009 20 30 FGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)C[C@H]1C ZINC000330251677 498078678 /nfs/dbraw/zinc/07/86/78/498078678.db2.gz HWFNGUOQCYDHKZ-MBNYWOFBSA-N 1 1 371.934 3.080 20 30 FGEDMO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000330254697 498080821 /nfs/dbraw/zinc/08/08/21/498080821.db2.gz AYHDDNVUZXGLPT-CQSZACIVSA-N 1 1 359.474 3.012 20 30 FGEDMO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330260744 498084083 /nfs/dbraw/zinc/08/40/83/498084083.db2.gz SVVURMVLRFTAFX-HNNXBMFYSA-N 1 1 368.437 3.465 20 30 FGEDMO CC[C@]1(CO)CCCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000330268283 498086975 /nfs/dbraw/zinc/08/69/75/498086975.db2.gz INXYUEVWUZRYMX-VXKWHMMOSA-N 1 1 373.541 3.440 20 30 FGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)[C@@H](C)C1 ZINC000330269924 498087881 /nfs/dbraw/zinc/08/78/81/498087881.db2.gz SPLWBRNUSQPLSV-SGMGOOAPSA-N 1 1 371.934 3.080 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)CC#Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000364708893 498105089 /nfs/dbraw/zinc/10/50/89/498105089.db2.gz UCNSYWYOAYAPRO-SIKLNZKXSA-N 1 1 368.500 3.316 20 30 FGEDMO CCN1CCC[C@@H](C[N@H+](C)CC#Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000364708893 498105099 /nfs/dbraw/zinc/10/50/99/498105099.db2.gz UCNSYWYOAYAPRO-SIKLNZKXSA-N 1 1 368.500 3.316 20 30 FGEDMO CCN1CCC[C@@H](C[N@@H+](C)CC#Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000364708893 498105104 /nfs/dbraw/zinc/10/51/04/498105104.db2.gz UCNSYWYOAYAPRO-SIKLNZKXSA-N 1 1 368.500 3.316 20 30 FGEDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000330385161 498122376 /nfs/dbraw/zinc/12/23/76/498122376.db2.gz SJCAYFYTRGCBRV-UHFFFAOYSA-N 1 1 374.529 3.470 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000330537507 498150016 /nfs/dbraw/zinc/15/00/16/498150016.db2.gz KMHOKAUOQVYDRG-ZOWXZIJZSA-N 1 1 350.260 3.003 20 30 FGEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)[C@@H](C)C1 ZINC000330588909 498155776 /nfs/dbraw/zinc/15/57/76/498155776.db2.gz XTOFFFQFAKIEKR-UWVGGRQHSA-N 1 1 364.248 3.065 20 30 FGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)[C@@H](C)C1 ZINC000330588909 498155780 /nfs/dbraw/zinc/15/57/80/498155780.db2.gz XTOFFFQFAKIEKR-UWVGGRQHSA-N 1 1 364.248 3.065 20 30 FGEDMO C[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@H+](C2CC2)C1 ZINC000296730019 498172364 /nfs/dbraw/zinc/17/23/64/498172364.db2.gz NXNUBELTXDSSSS-KRWDZBQOSA-N 1 1 364.493 3.154 20 30 FGEDMO C=CCNC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000301600760 498181954 /nfs/dbraw/zinc/18/19/54/498181954.db2.gz VCRSMACBVSMBFT-FXAWDEMLSA-N 1 1 364.493 3.320 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1C ZINC000330847187 498205075 /nfs/dbraw/zinc/20/50/75/498205075.db2.gz KKBCTNHSSRLVBA-ICSRJNTNSA-N 1 1 371.525 3.279 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1C ZINC000330847187 498205082 /nfs/dbraw/zinc/20/50/82/498205082.db2.gz KKBCTNHSSRLVBA-ICSRJNTNSA-N 1 1 371.525 3.279 20 30 FGEDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1Br ZINC000330892800 498212621 /nfs/dbraw/zinc/21/26/21/498212621.db2.gz DHRCRWCLKOWGLU-CMPLNLGQSA-N 1 1 371.275 3.254 20 30 FGEDMO N#Cc1cc(C(F)(F)F)ccc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000301665723 498212934 /nfs/dbraw/zinc/21/29/34/498212934.db2.gz ZZDHXFWJLCKENN-UHFFFAOYSA-N 1 1 353.388 3.268 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000285832694 498213573 /nfs/dbraw/zinc/21/35/73/498213573.db2.gz HGWQOIXRBMWSDI-NJYVYQBISA-N 1 1 361.445 3.001 20 30 FGEDMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1NC(=O)NC(C)(C)C ZINC000330901635 498213754 /nfs/dbraw/zinc/21/37/54/498213754.db2.gz KRFJWCIRVQKOMX-QAPCUYQASA-N 1 1 374.529 3.341 20 30 FGEDMO CC(C)[C@H](CNC(=O)Nc1cc(Cl)c(Cl)cn1)[NH+]1CCOCC1 ZINC000330989162 498231362 /nfs/dbraw/zinc/23/13/62/498231362.db2.gz RVMIVCDCPVASJI-ZDUSSCGKSA-N 1 1 361.273 3.071 20 30 FGEDMO Cc1ccc(C)c(OCCC[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000578713737 506002694 /nfs/dbraw/zinc/00/26/94/506002694.db2.gz YJTKYELEKDMAFR-UHFFFAOYSA-N 1 1 350.466 3.161 20 30 FGEDMO CCNC(=O)N(C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000331178025 498268341 /nfs/dbraw/zinc/26/83/41/498268341.db2.gz GBHKFSPQOMNCGM-RHSMWYFYSA-N 1 1 361.490 3.017 20 30 FGEDMO N#CC1CCC(CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000281785478 498269361 /nfs/dbraw/zinc/26/93/61/498269361.db2.gz JLCMNDTYWLPEJV-UHFFFAOYSA-N 1 1 354.498 3.064 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000331179929 498270835 /nfs/dbraw/zinc/27/08/35/498270835.db2.gz MMJKRWIVJOJQHL-KOLCDFICSA-N 1 1 356.220 3.145 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)OC)c(F)cc2F)C[C@@H]1C ZINC000331274676 498290835 /nfs/dbraw/zinc/29/08/35/498290835.db2.gz HZBCPSBMZUDKJO-NWDGAFQWSA-N 1 1 369.412 3.102 20 30 FGEDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000331284787 498293429 /nfs/dbraw/zinc/29/34/29/498293429.db2.gz HNSRLYMTNRTIBP-KBPBESRZSA-N 1 1 364.446 3.344 20 30 FGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1c(F)cccc1F ZINC000281888868 498306302 /nfs/dbraw/zinc/30/63/02/498306302.db2.gz DRXQEDIYXDPWSS-UHFFFAOYSA-N 1 1 365.424 3.326 20 30 FGEDMO N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000331410075 498322001 /nfs/dbraw/zinc/32/20/01/498322001.db2.gz JEMYJJVHUDTUQI-XYJFISCASA-N 1 1 365.399 3.249 20 30 FGEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000301937296 498336721 /nfs/dbraw/zinc/33/67/21/498336721.db2.gz QXIDSOKBIRIEAT-AWEZNQCLSA-N 1 1 354.385 3.489 20 30 FGEDMO Cn1cc(Br)cc1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281964147 498336891 /nfs/dbraw/zinc/33/68/91/498336891.db2.gz KRERBOOEULNNBG-UHFFFAOYSA-N 1 1 354.292 3.320 20 30 FGEDMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2Br)n1 ZINC000365188676 498342311 /nfs/dbraw/zinc/34/23/11/498342311.db2.gz DYAOUIUQSCOWSO-INIZCTEOSA-N 1 1 374.286 3.194 20 30 FGEDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2Br)n1 ZINC000365188676 498342319 /nfs/dbraw/zinc/34/23/19/498342319.db2.gz DYAOUIUQSCOWSO-INIZCTEOSA-N 1 1 374.286 3.194 20 30 FGEDMO CCC[C@@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000302003146 498364268 /nfs/dbraw/zinc/36/42/68/498364268.db2.gz JQXCDMSXLPYAOB-GOSISDBHSA-N 1 1 365.437 3.352 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@]3(CCC[C@H]3NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000365234611 498365665 /nfs/dbraw/zinc/36/56/65/498365665.db2.gz OPWXPEQSJSPXGA-YLJYHZDGSA-N 1 1 358.486 3.166 20 30 FGEDMO C=CCN(C(=O)c1snnc1CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000365257970 498377254 /nfs/dbraw/zinc/37/72/54/498377254.db2.gz LIKJUWBQUDTCKO-INIZCTEOSA-N 1 1 356.495 3.003 20 30 FGEDMO C=CCN(C(=O)c1snnc1CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365257970 498377260 /nfs/dbraw/zinc/37/72/60/498377260.db2.gz LIKJUWBQUDTCKO-INIZCTEOSA-N 1 1 356.495 3.003 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)C2)nc1 ZINC000572673335 506026351 /nfs/dbraw/zinc/02/63/51/506026351.db2.gz FIUVYTDDBYZUDQ-RQJZOYDLSA-N 1 1 365.477 3.192 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)C34CC5CC(CC(C5)C3)C4)C2)nc1 ZINC000572673335 506026353 /nfs/dbraw/zinc/02/63/53/506026353.db2.gz FIUVYTDDBYZUDQ-RQJZOYDLSA-N 1 1 365.477 3.192 20 30 FGEDMO N#C[C@@H]1CC[C@@H](N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C1 ZINC000293525292 498403466 /nfs/dbraw/zinc/40/34/66/498403466.db2.gz PABVDYSWOVGIFD-HZPDHXFCSA-N 1 1 371.510 3.041 20 30 FGEDMO COc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)ccc1C#N ZINC000282169320 498409367 /nfs/dbraw/zinc/40/93/67/498409367.db2.gz DYIJDXCWYWRECK-UHFFFAOYSA-N 1 1 351.450 3.035 20 30 FGEDMO Cc1ccc2ncc(C#N)c(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)c2c1 ZINC000569878935 506036966 /nfs/dbraw/zinc/03/69/66/506036966.db2.gz MPWFQBGQCIMRMP-FQEVSTJZSA-N 1 1 372.472 3.016 20 30 FGEDMO CCc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)s1 ZINC000572726533 506037831 /nfs/dbraw/zinc/03/78/31/506037831.db2.gz ZIRINHASIDDVOC-UHFFFAOYSA-N 1 1 370.478 3.408 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(CC#N)cc3)[C@H](C)C2)s1 ZINC000362167438 498471606 /nfs/dbraw/zinc/47/16/06/498471606.db2.gz VJAJLKJYGDMTRP-AUUYWEPGSA-N 1 1 368.506 3.158 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(F)c(C#N)c1Cl ZINC000365476979 498487247 /nfs/dbraw/zinc/48/72/47/498487247.db2.gz NJARFHPSOOBRHX-SIIHOXLZSA-N 1 1 365.880 3.330 20 30 FGEDMO C[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1ccc(C#N)cc1 ZINC000286812797 498516999 /nfs/dbraw/zinc/51/69/99/498516999.db2.gz ZUAGBKZYBXZOMZ-INIZCTEOSA-N 1 1 354.454 3.376 20 30 FGEDMO Cc1nc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000365537081 498520288 /nfs/dbraw/zinc/52/02/88/498520288.db2.gz OOPPZZORQVZOSK-YJBOKZPZSA-N 1 1 354.479 3.136 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)COc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000365541976 498523320 /nfs/dbraw/zinc/52/33/20/498523320.db2.gz YDCWBRUULXKXHJ-JXFKEZNVSA-N 1 1 369.490 3.198 20 30 FGEDMO CC[C@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000331994730 498525935 /nfs/dbraw/zinc/52/59/35/498525935.db2.gz VIQCLKBMEOWNOQ-KGLIPLIRSA-N 1 1 361.511 3.184 20 30 FGEDMO CC[C@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000331994730 498525938 /nfs/dbraw/zinc/52/59/38/498525938.db2.gz VIQCLKBMEOWNOQ-KGLIPLIRSA-N 1 1 361.511 3.184 20 30 FGEDMO Cn1cc[nH+]c1[C@@H]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000362742067 498548176 /nfs/dbraw/zinc/54/81/76/498548176.db2.gz QXOXODQRZFRMJG-GFCCVEGCSA-N 1 1 369.375 3.435 20 30 FGEDMO C=CCn1c(C(C)C)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000572803241 506055195 /nfs/dbraw/zinc/05/51/95/506055195.db2.gz GTGWKIRQOBUVEE-KDURUIRLSA-N 1 1 351.498 3.156 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCC(C)(C#N)CC3)cc2)C[C@H](C)O1 ZINC000332128922 498571678 /nfs/dbraw/zinc/57/16/78/498571678.db2.gz NTMJJWUAEOAVQE-IRXDYDNUSA-N 1 1 355.482 3.062 20 30 FGEDMO C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000363008077 498601352 /nfs/dbraw/zinc/60/13/52/498601352.db2.gz SYCVSKYZRXQUBY-IIMRFPQDSA-N 1 1 356.466 3.016 20 30 FGEDMO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287039206 498603119 /nfs/dbraw/zinc/60/31/19/498603119.db2.gz STBFLWCBXQYGFF-KSSFIOAISA-N 1 1 360.889 3.099 20 30 FGEDMO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287039206 498603125 /nfs/dbraw/zinc/60/31/25/498603125.db2.gz STBFLWCBXQYGFF-KSSFIOAISA-N 1 1 360.889 3.099 20 30 FGEDMO N#Cc1ccc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nc1 ZINC000363103615 498650985 /nfs/dbraw/zinc/65/09/85/498650985.db2.gz JIMWPJCLSFZERF-UHFFFAOYSA-N 1 1 359.433 3.107 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000303792956 498715969 /nfs/dbraw/zinc/71/59/69/498715969.db2.gz KEKAPUPDBPCVFI-AWEZNQCLSA-N 1 1 356.388 3.484 20 30 FGEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000572905100 506079718 /nfs/dbraw/zinc/07/97/18/506079718.db2.gz SSHGBAPZWKJVDG-KRWDZBQOSA-N 1 1 371.481 3.331 20 30 FGEDMO CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363259016 498731472 /nfs/dbraw/zinc/73/14/72/498731472.db2.gz KXAABIMOHUDLQQ-SNRMKQJTSA-N 1 1 352.482 3.436 20 30 FGEDMO Cc1cc(CNC(=O)N(C)Cc2cccc(C#N)c2)cc(N2CCCC2)[nH+]1 ZINC000290949663 498732775 /nfs/dbraw/zinc/73/27/75/498732775.db2.gz PUBOKGDFWJJPPU-UHFFFAOYSA-N 1 1 363.465 3.204 20 30 FGEDMO N#Cc1cccc(OCCN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000312940282 498763581 /nfs/dbraw/zinc/76/35/81/498763581.db2.gz PMQWZWFBWZPFIO-FGZHOGPDSA-N 1 1 361.489 3.391 20 30 FGEDMO N#Cc1cccc(OCCN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000312940282 498763586 /nfs/dbraw/zinc/76/35/86/498763586.db2.gz PMQWZWFBWZPFIO-FGZHOGPDSA-N 1 1 361.489 3.391 20 30 FGEDMO N#Cc1cccc(OCC[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000312940282 498763595 /nfs/dbraw/zinc/76/35/95/498763595.db2.gz PMQWZWFBWZPFIO-FGZHOGPDSA-N 1 1 361.489 3.391 20 30 FGEDMO N#Cc1cccc(OCC[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000312940282 498763605 /nfs/dbraw/zinc/76/36/05/498763605.db2.gz PMQWZWFBWZPFIO-FGZHOGPDSA-N 1 1 361.489 3.391 20 30 FGEDMO C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000287487570 498774399 /nfs/dbraw/zinc/77/43/99/498774399.db2.gz XOTBAURPLQRMPB-GJZGRUSLSA-N 1 1 355.413 3.358 20 30 FGEDMO CC1CCC([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000298699324 498853246 /nfs/dbraw/zinc/85/32/46/498853246.db2.gz GQZQEZROFQUPPQ-XUJLQICISA-N 1 1 352.438 3.022 20 30 FGEDMO CC1CCC([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000298699324 498853250 /nfs/dbraw/zinc/85/32/50/498853250.db2.gz GQZQEZROFQUPPQ-XUJLQICISA-N 1 1 352.438 3.022 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000287765613 498858486 /nfs/dbraw/zinc/85/84/86/498858486.db2.gz MNUDJEBBRYZDCG-UHFFFAOYSA-N 1 1 367.424 3.317 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000366348772 498886145 /nfs/dbraw/zinc/88/61/45/498886145.db2.gz ZBXYGILQSKIQQC-UHFFFAOYSA-N 1 1 351.450 3.429 20 30 FGEDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC000328675051 498898060 /nfs/dbraw/zinc/89/80/60/498898060.db2.gz KJDGEEVNTXDJQE-DZGCQCFKSA-N 1 1 358.442 3.388 20 30 FGEDMO COc1cc(OC)c2ncc(C#N)c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000287913691 498901130 /nfs/dbraw/zinc/90/11/30/498901130.db2.gz OPILMPFWHWBOBN-CYBMUJFWSA-N 1 1 363.421 3.231 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000333112190 498902321 /nfs/dbraw/zinc/90/23/21/498902321.db2.gz XTMMRJQWQCULSZ-CKVGWXAMSA-N 1 1 354.498 3.136 20 30 FGEDMO COc1nccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000328735595 498920441 /nfs/dbraw/zinc/92/04/41/498920441.db2.gz JCOGTBHUQQDXQR-HNNXBMFYSA-N 1 1 361.490 3.007 20 30 FGEDMO Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1C ZINC000328753203 498926706 /nfs/dbraw/zinc/92/67/06/498926706.db2.gz SECQIJYBCBGPLZ-INIZCTEOSA-N 1 1 369.469 3.405 20 30 FGEDMO Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1C ZINC000328753203 498926710 /nfs/dbraw/zinc/92/67/10/498926710.db2.gz SECQIJYBCBGPLZ-INIZCTEOSA-N 1 1 369.469 3.405 20 30 FGEDMO Cc1cc(N2CCC(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)CC2)nc(C)n1 ZINC000328753438 498926832 /nfs/dbraw/zinc/92/68/32/498926832.db2.gz DIBHCDKFZGEMQQ-INIZCTEOSA-N 1 1 359.518 3.283 20 30 FGEDMO Cc1ccc(C(=O)Nc2ccc3nc(N4CCOCC4)[nH]c3c2)c(C)n1 ZINC000328836743 498955102 /nfs/dbraw/zinc/95/51/02/498955102.db2.gz MVAKHXUVMJTSKR-UHFFFAOYSA-N 1 1 351.410 3.048 20 30 FGEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000366520700 498963007 /nfs/dbraw/zinc/96/30/07/498963007.db2.gz KVXIBMYNJCNEDT-GOSISDBHSA-N 1 1 363.465 3.295 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2cccs2)n1 ZINC000366546157 498973657 /nfs/dbraw/zinc/97/36/57/498973657.db2.gz SPFGHVDTTIJNBM-MRXNPFEDSA-N 1 1 365.462 3.069 20 30 FGEDMO N#Cc1cn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc2c1=O ZINC000283764362 498977459 /nfs/dbraw/zinc/97/74/59/498977459.db2.gz BBAPLWFBPFSTKQ-FQEVSTJZSA-N 1 1 373.456 3.164 20 30 FGEDMO CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)C1 ZINC000328928238 498988743 /nfs/dbraw/zinc/98/87/43/498988743.db2.gz XTCABNHNRZWDBJ-GJZGRUSLSA-N 1 1 361.511 3.202 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C1 ZINC000328936138 498992214 /nfs/dbraw/zinc/99/22/14/498992214.db2.gz JJXHREQFGAWTGZ-NXWXRZEISA-N 1 1 368.481 3.290 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCn2cncc2C1 ZINC000328965331 499001051 /nfs/dbraw/zinc/00/10/51/499001051.db2.gz SBZFVWMBZBUYAM-KPFFTGBYSA-N 1 1 352.482 3.313 20 30 FGEDMO CCN(CC#CC[N@H+](CC)CCc1nccs1)CCc1nccs1 ZINC000283929282 499014451 /nfs/dbraw/zinc/01/44/51/499014451.db2.gz COPRXOIHMUSWRO-UHFFFAOYSA-N 1 1 362.568 3.032 20 30 FGEDMO CCN(CC#CC[N@@H+](CC)CCc1nccs1)CCc1nccs1 ZINC000283929282 499014457 /nfs/dbraw/zinc/01/44/57/499014457.db2.gz COPRXOIHMUSWRO-UHFFFAOYSA-N 1 1 362.568 3.032 20 30 FGEDMO COc1ccc([C@H](C[NH+](C)C)NCc2ccc(N(C)CCC#N)cc2)cc1 ZINC000283994851 499026564 /nfs/dbraw/zinc/02/65/64/499026564.db2.gz MENCMXFYQPAEAP-QFIPXVFZSA-N 1 1 366.509 3.438 20 30 FGEDMO Cc1noc([C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000329069853 499032326 /nfs/dbraw/zinc/03/23/26/499032326.db2.gz YIEGVRREFQWYAX-GFCCVEGCSA-N 1 1 371.466 3.268 20 30 FGEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000329074875 499034421 /nfs/dbraw/zinc/03/44/21/499034421.db2.gz BORDZBGNOBYWPJ-WDSOQIARSA-N 1 1 363.477 3.281 20 30 FGEDMO O=C(C[NH2+][C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)NC1CCCCCC1 ZINC000329149688 499056530 /nfs/dbraw/zinc/05/65/30/499056530.db2.gz ZATXQWVIMXSXHR-NQIIRXRSSA-N 1 1 370.497 3.155 20 30 FGEDMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329184962 499065324 /nfs/dbraw/zinc/06/53/24/499065324.db2.gz PZQZUVBVFVPDOL-NQIIRXRSSA-N 1 1 369.509 3.496 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000333726959 499065537 /nfs/dbraw/zinc/06/55/37/499065537.db2.gz OXCTZSNYRBGXFG-UHFFFAOYSA-N 1 1 363.465 3.339 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCC2(CCCC2)C1 ZINC000333726959 499065541 /nfs/dbraw/zinc/06/55/41/499065541.db2.gz OXCTZSNYRBGXFG-UHFFFAOYSA-N 1 1 363.465 3.339 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(C#N)c1C ZINC000333732086 499066975 /nfs/dbraw/zinc/06/69/75/499066975.db2.gz LCLYEAXZOZWACD-SFHVURJKSA-N 1 1 373.522 3.456 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(C#N)c1C ZINC000333732086 499066980 /nfs/dbraw/zinc/06/69/80/499066980.db2.gz LCLYEAXZOZWACD-SFHVURJKSA-N 1 1 373.522 3.456 20 30 FGEDMO C[C@@H]1C(=O)CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1(C)C ZINC000329197682 499069805 /nfs/dbraw/zinc/06/98/05/499069805.db2.gz UJMNXKXTRCDUJG-PASDCYSWSA-N 1 1 374.529 3.401 20 30 FGEDMO C[C@@H]1C(=O)CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1(C)C ZINC000329197682 499069810 /nfs/dbraw/zinc/06/98/10/499069810.db2.gz UJMNXKXTRCDUJG-PASDCYSWSA-N 1 1 374.529 3.401 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366803863 499079367 /nfs/dbraw/zinc/07/93/67/499079367.db2.gz DOMKYGIILYGVID-UXHICEINSA-N 1 1 366.440 3.284 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366803863 499079371 /nfs/dbraw/zinc/07/93/71/499079371.db2.gz DOMKYGIILYGVID-UXHICEINSA-N 1 1 366.440 3.284 20 30 FGEDMO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000329251950 499083977 /nfs/dbraw/zinc/08/39/77/499083977.db2.gz VEIAWXUZUCILFZ-LLVKDONJSA-N 1 1 358.408 3.384 20 30 FGEDMO C[C@H](NC(=O)NCC1(O)CCC(C(C)(C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000329281889 499091055 /nfs/dbraw/zinc/09/10/55/499091055.db2.gz FEMOYHCXESXGLX-FVWXCPNNSA-N 1 1 351.535 3.108 20 30 FGEDMO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[C@@H]2CCCC[C@H]21 ZINC000329341519 499103268 /nfs/dbraw/zinc/10/32/68/499103268.db2.gz PAHYUXHLPFXRBD-ZMIKWESLSA-N 1 1 373.545 3.228 20 30 FGEDMO Cc1cc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)cnc1N1CCCC[C@@H]1C ZINC000329369455 499110535 /nfs/dbraw/zinc/11/05/35/499110535.db2.gz IHJPXMDVVCIJIL-WMZOPIPTSA-N 1 1 357.502 3.094 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(OCc4cscn4)c3)[C@@H]2C1 ZINC000329461716 499124655 /nfs/dbraw/zinc/12/46/55/499124655.db2.gz SUUNQMUKQXNPOZ-RDTXWAMCSA-N 1 1 372.494 3.294 20 30 FGEDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@]3(C)CCCOC3)C2)cc(OC)c1 ZINC000329524192 499129032 /nfs/dbraw/zinc/12/90/32/499129032.db2.gz SBNFBGYMKOMFGQ-OXJNMPFZSA-N 1 1 362.470 3.051 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@]3(C)CCCOC3)C2)cc(OC)c1 ZINC000329524192 499129033 /nfs/dbraw/zinc/12/90/33/499129033.db2.gz SBNFBGYMKOMFGQ-OXJNMPFZSA-N 1 1 362.470 3.051 20 30 FGEDMO O=C(C[NH+]1CCC(OC2CCCC2)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000329523593 499129105 /nfs/dbraw/zinc/12/91/05/499129105.db2.gz RTOVRFMMFOIXSJ-IBGZPJMESA-N 1 1 358.482 3.370 20 30 FGEDMO N#Cc1cc(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)ccc1OC(F)(F)F ZINC000367012182 499133741 /nfs/dbraw/zinc/13/37/41/499133741.db2.gz XEZCRWCKCLRNPR-AWEZNQCLSA-N 1 1 368.359 3.159 20 30 FGEDMO C=CCN(C(=O)c1ccc(C#N)c(C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372597298 499151533 /nfs/dbraw/zinc/15/15/33/499151533.db2.gz ABYWGFFTAQNPJA-FQEVSTJZSA-N 1 1 360.461 3.164 20 30 FGEDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000372687909 499161098 /nfs/dbraw/zinc/16/10/98/499161098.db2.gz YLARIFAHZWHBFX-MRXNPFEDSA-N 1 1 371.485 3.245 20 30 FGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(CC#N)CC1 ZINC000367208767 499162075 /nfs/dbraw/zinc/16/20/75/499162075.db2.gz XYULEAVJLOWEKI-SFHVURJKSA-N 1 1 354.498 3.280 20 30 FGEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000573169093 506133936 /nfs/dbraw/zinc/13/39/36/506133936.db2.gz UAZOUEWPCDFOAU-VQIMIIECSA-N 1 1 364.497 3.169 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000370215468 499198390 /nfs/dbraw/zinc/19/83/90/499198390.db2.gz LXKWRAANRGTYGV-SFHVURJKSA-N 1 1 368.506 3.155 20 30 FGEDMO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000370215468 499198391 /nfs/dbraw/zinc/19/83/91/499198391.db2.gz LXKWRAANRGTYGV-SFHVURJKSA-N 1 1 368.506 3.155 20 30 FGEDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000370215468 499198393 /nfs/dbraw/zinc/19/83/93/499198393.db2.gz LXKWRAANRGTYGV-SFHVURJKSA-N 1 1 368.506 3.155 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(Cc3cccnc3)CC2)C1=O ZINC000367521701 499208754 /nfs/dbraw/zinc/20/87/54/499208754.db2.gz YLICZHZCCHGSKC-GOSISDBHSA-N 1 1 366.490 3.075 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc(C#N)ccc1Cl ZINC000367551998 499211596 /nfs/dbraw/zinc/21/15/96/499211596.db2.gz LYIWOGVJRSBAQI-IFXJQAMLSA-N 1 1 368.868 3.247 20 30 FGEDMO COc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc(OC)c1OC ZINC000370532844 499229376 /nfs/dbraw/zinc/22/93/76/499229376.db2.gz FTHBWRHCAUKJID-UHFFFAOYSA-N 1 1 367.449 3.165 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[C@@H](C2CC[NH+](C[C@H](C#N)CCC#N)CC2)C1 ZINC000368075927 499261862 /nfs/dbraw/zinc/26/18/62/499261862.db2.gz SGXNERYMLKVXQE-FUHWJXTLSA-N 1 1 360.502 3.399 20 30 FGEDMO C[C@@H]1C[C@H](c2cccs2)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000371102663 499288585 /nfs/dbraw/zinc/28/85/85/499288585.db2.gz XQGGHOYWIPFYKK-ZBFHGGJFSA-N 1 1 360.504 3.271 20 30 FGEDMO C[C@@H]1C[C@H](c2cccs2)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000371102663 499288587 /nfs/dbraw/zinc/28/85/87/499288587.db2.gz XQGGHOYWIPFYKK-ZBFHGGJFSA-N 1 1 360.504 3.271 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2CC)cc1OC ZINC000371132725 499291856 /nfs/dbraw/zinc/29/18/56/499291856.db2.gz WTAHPEVLKISKKL-QGZVFWFLSA-N 1 1 369.465 3.324 20 30 FGEDMO C=CCN(C(=O)NCc1cscn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368393327 499291859 /nfs/dbraw/zinc/29/18/59/499291859.db2.gz JLHUGIGCTNJDOV-SFHVURJKSA-N 1 1 356.495 3.115 20 30 FGEDMO N#CC1CCC(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1 ZINC000368523114 499304487 /nfs/dbraw/zinc/30/44/87/499304487.db2.gz SOSQMVGPUZNEBW-FAFZWHIHSA-N 1 1 357.473 3.484 20 30 FGEDMO C=CCOc1ccc(C[N@@H+](C)C2CCN(c3cccnn3)CC2)cc1OC ZINC000371325276 499310082 /nfs/dbraw/zinc/31/00/82/499310082.db2.gz CXNUCMJNAFEIIR-UHFFFAOYSA-N 1 1 368.481 3.151 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000368763013 499329560 /nfs/dbraw/zinc/32/95/60/499329560.db2.gz BDNAUXVYFIYGIT-SFHVURJKSA-N 1 1 353.422 3.133 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000368763013 499329562 /nfs/dbraw/zinc/32/95/62/499329562.db2.gz BDNAUXVYFIYGIT-SFHVURJKSA-N 1 1 353.422 3.133 20 30 FGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000368782508 499332223 /nfs/dbraw/zinc/33/22/23/499332223.db2.gz BPYGUNYDOHQGBV-SFHVURJKSA-N 1 1 353.422 3.133 20 30 FGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000368782508 499332225 /nfs/dbraw/zinc/33/22/25/499332225.db2.gz BPYGUNYDOHQGBV-SFHVURJKSA-N 1 1 353.422 3.133 20 30 FGEDMO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000368833447 499337553 /nfs/dbraw/zinc/33/75/53/499337553.db2.gz HZFYHXLIZOZPPS-QGZVFWFLSA-N 1 1 350.422 3.207 20 30 FGEDMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000368833447 499337554 /nfs/dbraw/zinc/33/75/54/499337554.db2.gz HZFYHXLIZOZPPS-QGZVFWFLSA-N 1 1 350.422 3.207 20 30 FGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000579313931 506143770 /nfs/dbraw/zinc/14/37/70/506143770.db2.gz UAHXNOPRPJZQLH-MRXNPFEDSA-N 1 1 353.388 3.324 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)c1C ZINC000369225985 499379630 /nfs/dbraw/zinc/37/96/30/499379630.db2.gz KYHYBFSBWYOLRP-UHFFFAOYSA-N 1 1 365.481 3.153 20 30 FGEDMO C#CCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000371930383 499381210 /nfs/dbraw/zinc/38/12/10/499381210.db2.gz BUQHMGRYSRLCNF-IBGZPJMESA-N 1 1 365.477 3.473 20 30 FGEDMO Cc1cnn(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000369275307 499386612 /nfs/dbraw/zinc/38/66/12/499386612.db2.gz XCWAJBDIWXRINY-AWEZNQCLSA-N 1 1 371.872 3.381 20 30 FGEDMO N#Cc1ccccc1N1CCC(C[NH2+][C@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000369325787 499391612 /nfs/dbraw/zinc/39/16/12/499391612.db2.gz ACNWJOKKGGVXCR-NRFANRHFSA-N 1 1 372.476 3.272 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369646641 499430917 /nfs/dbraw/zinc/43/09/17/499430917.db2.gz IHZUCBKUYKZKIH-YQQAZPJKSA-N 1 1 359.495 3.130 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369646641 499430918 /nfs/dbraw/zinc/43/09/18/499430918.db2.gz IHZUCBKUYKZKIH-YQQAZPJKSA-N 1 1 359.495 3.130 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1cccs1 ZINC000373299244 499462179 /nfs/dbraw/zinc/46/21/79/499462179.db2.gz DMGLKUMCTAFXEM-WBVHZDCISA-N 1 1 360.527 3.466 20 30 FGEDMO N#Cc1c(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)cn2ccccc12 ZINC000378388860 499510878 /nfs/dbraw/zinc/51/08/78/499510878.db2.gz PNAXYXNHECSNCQ-IBGZPJMESA-N 1 1 362.477 3.035 20 30 FGEDMO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000375406692 499515101 /nfs/dbraw/zinc/51/51/01/499515101.db2.gz UWDIBQVEEPWMJO-HKBOAZHASA-N 1 1 358.482 3.121 20 30 FGEDMO C[C@@H]1C[C@H](Nc2ncc(C#N)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379681666 499542779 /nfs/dbraw/zinc/54/27/79/499542779.db2.gz SIUIHIYFTCBXNK-RHSMWYFYSA-N 1 1 351.410 3.326 20 30 FGEDMO C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000379681665 499542863 /nfs/dbraw/zinc/54/28/63/499542863.db2.gz SIUIHIYFTCBXNK-PBHICJAKSA-N 1 1 351.410 3.326 20 30 FGEDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000379679490 499542871 /nfs/dbraw/zinc/54/28/71/499542871.db2.gz JAGKXNFUDZFNJY-YOEHRIQHSA-N 1 1 351.410 3.326 20 30 FGEDMO N#Cc1ccc(OCCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380636610 499543704 /nfs/dbraw/zinc/54/37/04/499543704.db2.gz JMCFDBSAAXIVCD-FCHUYYIVSA-N 1 1 361.489 3.391 20 30 FGEDMO N#Cc1ccc(OCCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380636610 499543705 /nfs/dbraw/zinc/54/37/05/499543705.db2.gz JMCFDBSAAXIVCD-FCHUYYIVSA-N 1 1 361.489 3.391 20 30 FGEDMO N#Cc1ccc(OCC[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380636610 499543708 /nfs/dbraw/zinc/54/37/08/499543708.db2.gz JMCFDBSAAXIVCD-FCHUYYIVSA-N 1 1 361.489 3.391 20 30 FGEDMO N#Cc1ccc(OCC[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380636610 499543709 /nfs/dbraw/zinc/54/37/09/499543709.db2.gz JMCFDBSAAXIVCD-FCHUYYIVSA-N 1 1 361.489 3.391 20 30 FGEDMO C[C@@]1(CNc2ncc(C#N)cc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000397894497 499564992 /nfs/dbraw/zinc/56/49/92/499564992.db2.gz UBANHJUUCHMTAK-IBGZPJMESA-N 1 1 351.410 3.328 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)COc1ccc(C#N)cc1 ZINC000398194366 499567166 /nfs/dbraw/zinc/56/71/66/499567166.db2.gz YMSVBPMBTCYHOW-OAQYLSRUSA-N 1 1 365.477 3.210 20 30 FGEDMO CCn1nccc1C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000375920894 499568729 /nfs/dbraw/zinc/56/87/29/499568729.db2.gz PHJPEVDHDWVBRL-UHFFFAOYSA-N 1 1 365.481 3.029 20 30 FGEDMO N#Cc1ccc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1F ZINC000404061646 499569797 /nfs/dbraw/zinc/56/97/97/499569797.db2.gz IHPRQDZURBWULY-YADHBBJMSA-N 1 1 365.452 3.173 20 30 FGEDMO N#CCc1ccc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000404200557 499569947 /nfs/dbraw/zinc/56/99/47/499569947.db2.gz PSRTUDLNBDOXLT-GOTSBHOMSA-N 1 1 361.489 3.228 20 30 FGEDMO Cc1c(Cl)cnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000408183951 499579397 /nfs/dbraw/zinc/57/93/97/499579397.db2.gz VOZSPFMGTUEPPS-OKILXGFUSA-N 1 1 362.905 3.241 20 30 FGEDMO CC[N@@H+]([C@@H](C)c1ccc(C#N)cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000409449894 499597347 /nfs/dbraw/zinc/59/73/47/499597347.db2.gz AABMBAIZMWCYKD-BBRMVZONSA-N 1 1 353.388 3.494 20 30 FGEDMO C=C(CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000376702697 499630331 /nfs/dbraw/zinc/63/03/31/499630331.db2.gz XNWYYGORVOOKOA-GHTZIAJQSA-N 1 1 364.493 3.305 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000410411296 499661169 /nfs/dbraw/zinc/66/11/69/499661169.db2.gz NELSHQKTBQMTKE-XJKSGUPXSA-N 1 1 355.265 3.233 20 30 FGEDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCc1cccc(C#N)c1 ZINC000377230855 499672376 /nfs/dbraw/zinc/67/23/76/499672376.db2.gz GJKZVPGTCFTUML-IBGZPJMESA-N 1 1 365.481 3.295 20 30 FGEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1CC ZINC000377295491 499677531 /nfs/dbraw/zinc/67/75/31/499677531.db2.gz PUAGYKSLWLCHOQ-PMACEKPBSA-N 1 1 364.493 3.254 20 30 FGEDMO C[C@@H](NCc1cnc2ccc(C#N)cn12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377407935 499687876 /nfs/dbraw/zinc/68/78/76/499687876.db2.gz CTDMVUCMINCBHD-YLJYHZDGSA-N 1 1 359.477 3.206 20 30 FGEDMO C[C@@H](NCc1cnc2ccc(C#N)cn12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377407935 499687877 /nfs/dbraw/zinc/68/78/77/499687877.db2.gz CTDMVUCMINCBHD-YLJYHZDGSA-N 1 1 359.477 3.206 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000411175847 499707009 /nfs/dbraw/zinc/70/70/09/499707009.db2.gz FDDQQJWIGPWBSS-QGZVFWFLSA-N 1 1 368.477 3.397 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000411175847 499707011 /nfs/dbraw/zinc/70/70/11/499707011.db2.gz FDDQQJWIGPWBSS-QGZVFWFLSA-N 1 1 368.477 3.397 20 30 FGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000411191852 499709038 /nfs/dbraw/zinc/70/90/38/499709038.db2.gz KPLCOPSCEGQEFK-KRWDZBQOSA-N 1 1 350.466 3.277 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000411191852 499709040 /nfs/dbraw/zinc/70/90/40/499709040.db2.gz KPLCOPSCEGQEFK-KRWDZBQOSA-N 1 1 350.466 3.277 20 30 FGEDMO C=CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000576434967 506156834 /nfs/dbraw/zinc/15/68/34/506156834.db2.gz QMBBUYFNSRZBRT-HZPDHXFCSA-N 1 1 373.476 3.101 20 30 FGEDMO COc1cc(C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C2CC2)ccc1O ZINC000411413225 499736987 /nfs/dbraw/zinc/73/69/87/499736987.db2.gz CTDBNZMUMWXVKI-UHFFFAOYSA-N 1 1 365.433 3.266 20 30 FGEDMO C[C@@H](CCC#N)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 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N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000433225216 500650446 /nfs/dbraw/zinc/65/04/46/500650446.db2.gz ALBLBSLKPHLKHZ-JOCHJYFZSA-N 1 1 361.489 3.493 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437658006 500677138 /nfs/dbraw/zinc/67/71/38/500677138.db2.gz WVHMUOIOGCMNLM-CQSZACIVSA-N 1 1 352.381 3.323 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437658006 500677140 /nfs/dbraw/zinc/67/71/40/500677140.db2.gz WVHMUOIOGCMNLM-CQSZACIVSA-N 1 1 352.381 3.323 20 30 FGEDMO CCC[C@]1(COC)CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447880597 500684274 /nfs/dbraw/zinc/68/42/74/500684274.db2.gz VPXSFVGRSVBUNS-TZIWHRDSSA-N 1 1 355.482 3.335 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000437791533 500696207 /nfs/dbraw/zinc/69/62/07/500696207.db2.gz FIDYHDJDIBQSQK-HBMCJLEFSA-N 1 1 373.541 3.423 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000438052130 500731629 /nfs/dbraw/zinc/73/16/29/500731629.db2.gz DCNHWXFCSJJBPO-ACRUOGEOSA-N 1 1 371.525 3.274 20 30 FGEDMO C=CCCCCNC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000570703695 506214512 /nfs/dbraw/zinc/21/45/12/506214512.db2.gz KQDPCLDLJKGBSC-SFHVURJKSA-N 1 1 371.525 3.150 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1OC ZINC000448368371 500754057 /nfs/dbraw/zinc/75/40/57/500754057.db2.gz UTGPQLHUECJYOU-OAHLLOKOSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1OC ZINC000448368371 500754059 /nfs/dbraw/zinc/75/40/59/500754059.db2.gz UTGPQLHUECJYOU-OAHLLOKOSA-N 1 1 370.287 3.225 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438451073 500786945 /nfs/dbraw/zinc/78/69/45/500786945.db2.gz GSJDEKWJXFMUSI-HBMCJLEFSA-N 1 1 371.525 3.274 20 30 FGEDMO C[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)CC1(O)CCOCC1 ZINC000438544686 500799313 /nfs/dbraw/zinc/79/93/13/500799313.db2.gz GIEHZJYAFKIKTR-UHFFFAOYSA-N 1 1 366.461 3.111 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000444167266 500812377 /nfs/dbraw/zinc/81/23/77/500812377.db2.gz LHJZRISPMPNZIK-KYBDOYODSA-N 1 1 362.562 3.112 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(Br)cc1C ZINC000444690264 500879293 /nfs/dbraw/zinc/87/92/93/500879293.db2.gz JIXSLSSLTHAPHJ-CYBMUJFWSA-N 1 1 366.303 3.198 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(Br)cc1C ZINC000444690264 500879297 /nfs/dbraw/zinc/87/92/97/500879297.db2.gz JIXSLSSLTHAPHJ-CYBMUJFWSA-N 1 1 366.303 3.198 20 30 FGEDMO Cc1ccccc1OCCC[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434800825 500897379 /nfs/dbraw/zinc/89/73/79/500897379.db2.gz CIAKQNUPRYBWOC-QGZVFWFLSA-N 1 1 369.490 3.434 20 30 FGEDMO Cc1ccccc1OCCC[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000434800825 500897381 /nfs/dbraw/zinc/89/73/81/500897381.db2.gz CIAKQNUPRYBWOC-QGZVFWFLSA-N 1 1 369.490 3.434 20 30 FGEDMO C=CC[C@H]1[N@@H+](C[C@H](O)COc2ccc(NC(C)=O)cc2)CCCC1(C)C ZINC000444787975 500901207 /nfs/dbraw/zinc/90/12/07/500901207.db2.gz ZIYDHIZSDXRJON-AZUAARDMSA-N 1 1 360.498 3.451 20 30 FGEDMO O=C(C[N@H+]1CCCC12CCC2)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444790822 500902211 /nfs/dbraw/zinc/90/22/11/500902211.db2.gz KPENWNNFOMEPAH-UHFFFAOYSA-N 1 1 350.384 3.192 20 30 FGEDMO COCC[C@H]1CCCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000434981798 500919060 /nfs/dbraw/zinc/91/90/60/500919060.db2.gz INWMREVXGJJNBW-GOSISDBHSA-N 1 1 367.497 3.497 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC3(CCC3)[C@@H]2c2ccncc2)cc1 ZINC000596040777 506224206 /nfs/dbraw/zinc/22/42/06/506224206.db2.gz ZIUVGGGRIXUCNE-CTNGQTDRSA-N 1 1 363.461 3.115 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccncc2)cc1 ZINC000596040777 506224210 /nfs/dbraw/zinc/22/42/10/506224210.db2.gz ZIUVGGGRIXUCNE-CTNGQTDRSA-N 1 1 363.461 3.115 20 30 FGEDMO N#Cc1cccc(C2(C(=O)N3CC[NH+](CCc4cccs4)CC3)CC2)c1 ZINC000435009832 500922025 /nfs/dbraw/zinc/92/20/25/500922025.db2.gz VQOQSMXGYMPJKP-UHFFFAOYSA-N 1 1 365.502 3.038 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCc3ccc(O)cc3C2)c(-c2ccncc2)n1 ZINC000435126084 500936781 /nfs/dbraw/zinc/93/67/81/500936781.db2.gz IXSBVKVAUWTPSI-UHFFFAOYSA-N 1 1 359.433 3.123 20 30 FGEDMO N#CCCn1cc(C[N@@H+]2CCc3ccc(O)cc3C2)c(-c2ccncc2)n1 ZINC000435126084 500936783 /nfs/dbraw/zinc/93/67/83/500936783.db2.gz IXSBVKVAUWTPSI-UHFFFAOYSA-N 1 1 359.433 3.123 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449577296 501036525 /nfs/dbraw/zinc/03/65/25/501036525.db2.gz WEBIFRXGOZQBDD-MRXNPFEDSA-N 1 1 360.351 3.044 20 30 FGEDMO N#Cc1cnc2c(Br)cccc2c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000440673508 501037703 /nfs/dbraw/zinc/03/77/03/501037703.db2.gz RKPZMLIXBZCBEZ-GFCCVEGCSA-N 1 1 368.238 3.492 20 30 FGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C12CCC2 ZINC000449636850 501047422 /nfs/dbraw/zinc/04/74/22/501047422.db2.gz XIEWGYJUWROYHC-RBUKOAKNSA-N 1 1 350.466 3.348 20 30 FGEDMO CCOC(=O)[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)Cc2ccccc21 ZINC000441125775 501091022 /nfs/dbraw/zinc/09/10/22/501091022.db2.gz MXKWDGBRADXDOA-FQEVSTJZSA-N 1 1 350.418 3.100 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441275027 501112302 /nfs/dbraw/zinc/11/23/02/501112302.db2.gz IGYUBJXSHPXRKH-KSZLIROESA-N 1 1 362.539 3.400 20 30 FGEDMO COCC[N@H+](CCc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441294704 501115981 /nfs/dbraw/zinc/11/59/81/501115981.db2.gz ZFXLSMCVJKBXQF-UHFFFAOYSA-N 1 1 362.433 3.299 20 30 FGEDMO COCC[N@@H+](CCc1ccccc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441294704 501115982 /nfs/dbraw/zinc/11/59/82/501115982.db2.gz ZFXLSMCVJKBXQF-UHFFFAOYSA-N 1 1 362.433 3.299 20 30 FGEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000441321302 501119719 /nfs/dbraw/zinc/11/97/19/501119719.db2.gz CAKGKIZGODTVHK-YWZLYKJASA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000441321302 501119722 /nfs/dbraw/zinc/11/97/22/501119722.db2.gz CAKGKIZGODTVHK-YWZLYKJASA-N 1 1 351.425 3.397 20 30 FGEDMO N#Cc1cccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000450434764 501120739 /nfs/dbraw/zinc/12/07/39/501120739.db2.gz NKGHCXFXPHKZOO-GOSISDBHSA-N 1 1 366.421 3.035 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000449905307 501122730 /nfs/dbraw/zinc/12/27/30/501122730.db2.gz SSNUUQOGFCFSDF-KBPBESRZSA-N 1 1 352.438 3.056 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450488739 501134660 /nfs/dbraw/zinc/13/46/60/501134660.db2.gz PBQKKXXWDYPRSK-GRGSLBFTSA-N 1 1 364.436 3.196 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450488739 501134664 /nfs/dbraw/zinc/13/46/64/501134664.db2.gz PBQKKXXWDYPRSK-GRGSLBFTSA-N 1 1 364.436 3.196 20 30 FGEDMO C=CCOc1ccc(CC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000450043591 501162905 /nfs/dbraw/zinc/16/29/05/501162905.db2.gz MEWLFJJXPUJVAM-UHFFFAOYSA-N 1 1 356.441 3.181 20 30 FGEDMO N#Cc1ccc(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)o1 ZINC000447083452 501203311 /nfs/dbraw/zinc/20/33/11/501203311.db2.gz AZNZECWMTAXJTD-UHFFFAOYSA-N 1 1 357.211 3.389 20 30 FGEDMO Cc1cc(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)ncc1C#N ZINC000457602767 501266298 /nfs/dbraw/zinc/26/62/98/501266298.db2.gz WKYZOCQGZIDNNH-HOTGVXAUSA-N 1 1 364.449 3.123 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(C#N)c1C ZINC000451336173 501268858 /nfs/dbraw/zinc/26/88/58/501268858.db2.gz DZLCAWIQQYLYKY-PAYONLEZSA-N 1 1 359.470 3.111 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451416075 501287291 /nfs/dbraw/zinc/28/72/91/501287291.db2.gz GASDQNSQGVGLIS-AITUJVMLSA-N 1 1 362.539 3.277 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451416079 501287739 /nfs/dbraw/zinc/28/77/39/501287739.db2.gz GASDQNSQGVGLIS-JCHJZTRSSA-N 1 1 362.539 3.277 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455418446 501297049 /nfs/dbraw/zinc/29/70/49/501297049.db2.gz FZTBCHSZTBDCCO-HBMCJLEFSA-N 1 1 371.525 3.274 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000451538396 501316591 /nfs/dbraw/zinc/31/65/91/501316591.db2.gz JFNZVVBWFUODKL-BQFCYCMXSA-N 1 1 350.528 3.398 20 30 FGEDMO CCO[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000451552512 501321466 /nfs/dbraw/zinc/32/14/66/501321466.db2.gz YTSXDYDHHOFVAY-YLJYHZDGSA-N 1 1 357.498 3.297 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000453460976 501338066 /nfs/dbraw/zinc/33/80/66/501338066.db2.gz FJRPDTAACLHIGL-SQNIBIBYSA-N 1 1 361.534 3.405 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000453460975 501338275 /nfs/dbraw/zinc/33/82/75/501338275.db2.gz FJRPDTAACLHIGL-KURKYZTESA-N 1 1 361.534 3.405 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453461639 501338818 /nfs/dbraw/zinc/33/88/18/501338818.db2.gz GRGRAWGWQJCEMF-MJGOQNOKSA-N 1 1 373.545 3.406 20 30 FGEDMO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000453471472 501341327 /nfs/dbraw/zinc/34/13/27/501341327.db2.gz USXSAXFFZQBAHA-GOSISDBHSA-N 1 1 359.518 3.160 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451695683 501352859 /nfs/dbraw/zinc/35/28/59/501352859.db2.gz NVXPKEBTIPKBTH-MHORFTMASA-N 1 1 362.539 3.134 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000451717556 501358834 /nfs/dbraw/zinc/35/88/34/501358834.db2.gz VOMDXUVBLYWLKC-UHFFFAOYSA-N 1 1 364.453 3.263 20 30 FGEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000453610161 501361181 /nfs/dbraw/zinc/36/11/81/501361181.db2.gz IQYXTBPDRCZCEC-UHFFFAOYSA-N 1 1 362.481 3.350 20 30 FGEDMO C=CCOc1ccc(CC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC000451838635 501383419 /nfs/dbraw/zinc/38/34/19/501383419.db2.gz QSGMEEOHTMDJBP-UHFFFAOYSA-N 1 1 365.477 3.414 20 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/nfs/dbraw/zinc/25/22/33/506252233.db2.gz LGMWIOKOFBMWNP-INIZCTEOSA-N 1 1 373.460 3.334 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3nc4ncccc4cc3C#N)c2)CCO1 ZINC000596090030 506252244 /nfs/dbraw/zinc/25/22/44/506252244.db2.gz LGMWIOKOFBMWNP-INIZCTEOSA-N 1 1 373.460 3.334 20 30 FGEDMO COc1ccccc1[C@@H](CNC(=O)Nc1cc(C)cc(C#N)c1)[NH+](C)C ZINC000455981149 501431007 /nfs/dbraw/zinc/43/10/07/501431007.db2.gz GZGLUMNUEPXMHQ-GOSISDBHSA-N 1 1 352.438 3.300 20 30 FGEDMO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000452100233 501434971 /nfs/dbraw/zinc/43/49/71/501434971.db2.gz HXEVEILBMXBCNO-KBPBESRZSA-N 1 1 361.511 3.184 20 30 FGEDMO COC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000452100233 501434972 /nfs/dbraw/zinc/43/49/72/501434972.db2.gz HXEVEILBMXBCNO-KBPBESRZSA-N 1 1 361.511 3.184 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000452127353 501441915 /nfs/dbraw/zinc/44/19/15/501441915.db2.gz ZYGVNRQRVXIMAR-GOSISDBHSA-N 1 1 362.905 3.001 20 30 FGEDMO C[N@H+]1CCC[C@@H](CCNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000458513858 501463241 /nfs/dbraw/zinc/46/32/41/501463241.db2.gz XAFXIOMAPJEQKM-INIZCTEOSA-N 1 1 367.415 3.088 20 30 FGEDMO C[C@@H]1CN(C(=O)NCC#Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454251401 501492265 /nfs/dbraw/zinc/49/22/65/501492265.db2.gz YTFAJLRWJLKCHK-FQEVSTJZSA-N 1 1 361.489 3.202 20 30 FGEDMO C=C(CC)CNC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000454486885 501557940 /nfs/dbraw/zinc/55/79/40/501557940.db2.gz OQURPJDVSLLUND-UHFFFAOYSA-N 1 1 350.532 3.183 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000459034730 501580590 /nfs/dbraw/zinc/58/05/90/501580590.db2.gz SKAWDFXTBKCXIT-MDNKFWRPSA-N 1 1 357.498 3.024 20 30 FGEDMO C[C@H](CCNC(=O)NCc1ccc(C#N)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000454611536 501591868 /nfs/dbraw/zinc/59/18/68/501591868.db2.gz STGMSFPRFHERHR-MRXNPFEDSA-N 1 1 368.456 3.407 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000459103077 501594932 /nfs/dbraw/zinc/59/49/32/501594932.db2.gz BDHLDJMYSOHFGP-SJLPKXTDSA-N 1 1 372.488 3.493 20 30 FGEDMO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000459468135 501658994 /nfs/dbraw/zinc/65/89/94/501658994.db2.gz QXVVKUQFXUKTAH-TZIWHRDSSA-N 1 1 363.461 3.164 20 30 FGEDMO CCOc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(Cl)c1O ZINC000459559101 501676605 /nfs/dbraw/zinc/67/66/05/501676605.db2.gz OZYUIXJYIBGQNN-OAHLLOKOSA-N 1 1 373.840 3.364 20 30 FGEDMO CCOc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(Cl)c1O ZINC000459559101 501676608 /nfs/dbraw/zinc/67/66/08/501676608.db2.gz OZYUIXJYIBGQNN-OAHLLOKOSA-N 1 1 373.840 3.364 20 30 FGEDMO Cc1nsc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000459577555 501680166 /nfs/dbraw/zinc/68/01/66/501680166.db2.gz GWEPEWKXBIZVNK-XJKSGUPXSA-N 1 1 369.494 3.498 20 30 FGEDMO Cc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)ncc1C#N ZINC000457434545 501697205 /nfs/dbraw/zinc/69/72/05/501697205.db2.gz DYJZEFRWADNCFQ-IBGZPJMESA-N 1 1 368.868 3.482 20 30 FGEDMO CCOC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000459724667 501704388 /nfs/dbraw/zinc/70/43/88/501704388.db2.gz WQOFUYGXAVBNFC-IBGZPJMESA-N 1 1 357.498 3.441 20 30 FGEDMO CCOC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000459724667 501704390 /nfs/dbraw/zinc/70/43/90/501704390.db2.gz WQOFUYGXAVBNFC-IBGZPJMESA-N 1 1 357.498 3.441 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(C#N)c1C ZINC000459814848 501717807 /nfs/dbraw/zinc/71/78/07/501717807.db2.gz USWBITKRPAKKDU-WCQYABFASA-N 1 1 363.458 3.005 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(C#N)c1C ZINC000459814848 501717808 /nfs/dbraw/zinc/71/78/08/501717808.db2.gz USWBITKRPAKKDU-WCQYABFASA-N 1 1 363.458 3.005 20 30 FGEDMO C[C@H](C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C(=O)OC(C)(C)C ZINC000459816821 501718023 /nfs/dbraw/zinc/71/80/23/501718023.db2.gz WRHOZIYFLGXZQM-CYBMUJFWSA-N 1 1 356.426 3.018 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C(=O)OC(C)(C)C ZINC000459816821 501718025 /nfs/dbraw/zinc/71/80/25/501718025.db2.gz WRHOZIYFLGXZQM-CYBMUJFWSA-N 1 1 356.426 3.018 20 30 FGEDMO C=CCOc1ccc(C[N@H+](CCCS(=O)(=O)N(C)C)C(C)(C)C)cc1 ZINC000474162808 501727085 /nfs/dbraw/zinc/72/70/85/501727085.db2.gz BSPOHGNDPHAUHX-UHFFFAOYSA-N 1 1 368.543 3.133 20 30 FGEDMO CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474238714 501756057 /nfs/dbraw/zinc/75/60/57/501756057.db2.gz JDYGAKDUGNFZTG-FQEVSTJZSA-N 1 1 373.460 3.315 20 30 FGEDMO C=CCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000467284343 501758707 /nfs/dbraw/zinc/75/87/07/501758707.db2.gz QLQHDZOVDFSVGO-UHFFFAOYSA-N 1 1 350.466 3.471 20 30 FGEDMO COc1cc(C[NH2+]Cc2cc(Br)cnc2OC)ccc1C#N ZINC000599003388 506272060 /nfs/dbraw/zinc/27/20/60/506272060.db2.gz KQFATUHQXVVZNF-UHFFFAOYSA-N 1 1 362.227 3.023 20 30 FGEDMO C=CCOCCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000470766397 501794895 /nfs/dbraw/zinc/79/48/95/501794895.db2.gz PMGBUAKZXZWLLQ-SFHVURJKSA-N 1 1 368.481 3.434 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000470907272 501849396 /nfs/dbraw/zinc/84/93/96/501849396.db2.gz RKSMXZIZGXECKQ-SFHVURJKSA-N 1 1 356.422 3.413 20 30 FGEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460553821 501859638 /nfs/dbraw/zinc/85/96/38/501859638.db2.gz YFCCDMULJRBJIG-IRXDYDNUSA-N 1 1 356.518 3.026 20 30 FGEDMO C=C(C)Cn1c(C2CC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460556175 501860953 /nfs/dbraw/zinc/86/09/53/501860953.db2.gz RQQIPMSJTKLGBZ-QGZVFWFLSA-N 1 1 351.498 3.442 20 30 FGEDMO C=C(C)Cn1c(COCC)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460588984 501870239 /nfs/dbraw/zinc/87/02/39/501870239.db2.gz YWDYMCPRICYMCF-IBGZPJMESA-N 1 1 369.513 3.101 20 30 FGEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C(=O)Nc3cc(C#N)ccc3C)cc2)c1C ZINC000464005219 501873533 /nfs/dbraw/zinc/87/35/33/501873533.db2.gz NHVPKLYFAPGNGR-UHFFFAOYSA-N 1 1 373.416 3.246 20 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CC(C)c1ccc(C[C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)cc1 ZINC000460982813 501980009 /nfs/dbraw/zinc/98/00/09/501980009.db2.gz JQWIDAPTEGJOEA-XMSQKQJNSA-N 1 1 353.510 3.483 20 30 FGEDMO Cc1cc(N[C@H](C)C[C@@H]2CCOC2)c(C#N)c(N[C@H](C)C[C@@H]2CCOC2)[nH+]1 ZINC000596159420 506286915 /nfs/dbraw/zinc/28/69/15/506286915.db2.gz ICDXJFSAPXXMDB-LMSBXDPUSA-N 1 1 372.513 3.138 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ncc(C#N)cc1Cl)C1CC1 ZINC000482478077 502081399 /nfs/dbraw/zinc/08/13/99/502081399.db2.gz NHFNXIZLABCGBR-GOSISDBHSA-N 1 1 368.868 3.247 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000475185352 502092973 /nfs/dbraw/zinc/09/29/73/502092973.db2.gz OWOQBHLLSOGWSU-YJBOKZPZSA-N 1 1 357.498 3.076 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000475295071 502123701 /nfs/dbraw/zinc/12/37/01/502123701.db2.gz ZYQIKXQBOSHZNK-KRWDZBQOSA-N 1 1 357.498 3.078 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860723 502125426 /nfs/dbraw/zinc/12/54/26/502125426.db2.gz ZQTCEZGPQSBKAQ-FPOVZHCZSA-N 1 1 355.526 3.029 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+](Cc3ccc(-c4ccccc4)o3)CC2)c1C#N ZINC000471821413 502145648 /nfs/dbraw/zinc/14/56/48/502145648.db2.gz KIJVYKXJLMVWIU-UHFFFAOYSA-N 1 1 361.449 3.182 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000479337550 502228672 /nfs/dbraw/zinc/22/86/72/502228672.db2.gz CLBVTDYXOHSUDH-GOSISDBHSA-N 1 1 361.534 3.284 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1ccccc1C#N ZINC000482977363 502234019 /nfs/dbraw/zinc/23/40/19/502234019.db2.gz YDYKBQXCHAATQZ-NWDGAFQWSA-N 1 1 373.254 3.394 20 30 FGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000475660877 502246250 /nfs/dbraw/zinc/24/62/50/502246250.db2.gz LETGKFXWRNUSED-HXUWFJFHSA-N 1 1 369.509 3.188 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+](CCCc3ccccc3Cl)CC2)c1C#N ZINC000472159800 502253244 /nfs/dbraw/zinc/25/32/44/502253244.db2.gz SFANNMKGFRQMOI-UHFFFAOYSA-N 1 1 357.889 3.008 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1ccccc1 ZINC000469040286 502274494 /nfs/dbraw/zinc/27/44/94/502274494.db2.gz PPVPDIDMRZOOLU-NQIIRXRSSA-N 1 1 372.428 3.388 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)C1=O ZINC000483114042 502277283 /nfs/dbraw/zinc/27/72/83/502277283.db2.gz KDMBALCCGKQBIG-NVXWUHKLSA-N 1 1 355.438 3.354 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)C1=O ZINC000483114042 502277287 /nfs/dbraw/zinc/27/72/87/502277287.db2.gz KDMBALCCGKQBIG-NVXWUHKLSA-N 1 1 355.438 3.354 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)C1=O ZINC000483114044 502278103 /nfs/dbraw/zinc/27/81/03/502278103.db2.gz KDMBALCCGKQBIG-RDJZCZTQSA-N 1 1 355.438 3.354 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)C1=O ZINC000483114044 502278109 /nfs/dbraw/zinc/27/81/09/502278109.db2.gz KDMBALCCGKQBIG-RDJZCZTQSA-N 1 1 355.438 3.354 20 30 FGEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000479637198 502327104 /nfs/dbraw/zinc/32/71/04/502327104.db2.gz XLHAMROMTXKEJT-QGZVFWFLSA-N 1 1 356.857 3.324 20 30 FGEDMO N#Cc1c[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000479637198 502327107 /nfs/dbraw/zinc/32/71/07/502327107.db2.gz XLHAMROMTXKEJT-QGZVFWFLSA-N 1 1 356.857 3.324 20 30 FGEDMO C[C@H](c1cccc(NCCOc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000462236105 502363133 /nfs/dbraw/zinc/36/31/33/502363133.db2.gz WMTCNPUGDNBANX-QGZVFWFLSA-N 1 1 351.450 3.442 20 30 FGEDMO C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299448 502366268 /nfs/dbraw/zinc/36/62/68/502366268.db2.gz ZZIHMUJWVMWGQK-MSOLQXFVSA-N 1 1 368.525 3.102 20 30 FGEDMO C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299448 502366274 /nfs/dbraw/zinc/36/62/74/502366274.db2.gz ZZIHMUJWVMWGQK-MSOLQXFVSA-N 1 1 368.525 3.102 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000462269933 502375114 /nfs/dbraw/zinc/37/51/14/502375114.db2.gz MYCGSEAMFADVTC-AUUYWEPGSA-N 1 1 352.413 3.339 20 30 FGEDMO CC#CCCNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000483403165 502375613 /nfs/dbraw/zinc/37/56/13/502375613.db2.gz HOAAWPYYZLRGOS-UHFFFAOYSA-N 1 1 367.415 3.336 20 30 FGEDMO CNC(=O)C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccccc1 ZINC000483423911 502386118 /nfs/dbraw/zinc/38/61/18/502386118.db2.gz BJANXRWZXXCRSE-QGZVFWFLSA-N 1 1 372.266 3.288 20 30 FGEDMO CC#CCCNC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000483429942 502388746 /nfs/dbraw/zinc/38/87/46/502388746.db2.gz HSBHTHLFXZXXME-PXNSSMCTSA-N 1 1 356.514 3.045 20 30 FGEDMO CC#CCCNC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000483429942 502388747 /nfs/dbraw/zinc/38/87/47/502388747.db2.gz HSBHTHLFXZXXME-PXNSSMCTSA-N 1 1 356.514 3.045 20 30 FGEDMO C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000483449799 502396687 /nfs/dbraw/zinc/39/66/87/502396687.db2.gz ZWHWTSUYBOWUFI-HNNXBMFYSA-N 1 1 354.429 3.190 20 30 FGEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469458477 502425562 /nfs/dbraw/zinc/42/55/62/502425562.db2.gz FZZXTOMHZXLLDT-LPHOPBHVSA-N 1 1 352.482 3.357 20 30 FGEDMO CCC[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000476521208 502513348 /nfs/dbraw/zinc/51/33/48/502513348.db2.gz HFIYMUJPEYMVBV-VQTJNVASSA-N 1 1 357.498 3.033 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000469740794 502528157 /nfs/dbraw/zinc/52/81/57/502528157.db2.gz ANTPLKONFRCBJJ-CXAGYDPISA-N 1 1 370.840 3.087 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000469740794 502528164 /nfs/dbraw/zinc/52/81/64/502528164.db2.gz ANTPLKONFRCBJJ-CXAGYDPISA-N 1 1 370.840 3.087 20 30 FGEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)c(F)c1 ZINC000466361266 502548110 /nfs/dbraw/zinc/54/81/10/502548110.db2.gz RWPNEPPDLGVRDN-UHFFFAOYSA-N 1 1 359.832 3.477 20 30 FGEDMO CC(C)c1cc(N2CCCN(c3ccccc3C#N)CC2)nc(N(C)C)[nH+]1 ZINC000462788324 502573777 /nfs/dbraw/zinc/57/37/77/502573777.db2.gz FTTPNVDBXRYAKK-UHFFFAOYSA-N 1 1 364.497 3.254 20 30 FGEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1c(F)cc(C#N)cc1F ZINC000462857383 502602203 /nfs/dbraw/zinc/60/22/03/502602203.db2.gz WDUPHJDCTUMMJE-OAHLLOKOSA-N 1 1 356.420 3.459 20 30 FGEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cc(C#N)c[nH]1 ZINC000473601510 502651782 /nfs/dbraw/zinc/65/17/82/502651782.db2.gz UMJYGKDWFOJFOO-IBGZPJMESA-N 1 1 350.466 3.089 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H](C)C2)cc1 ZINC000488197211 502654547 /nfs/dbraw/zinc/65/45/47/502654547.db2.gz HYNHVRFTVJMZMY-INIZCTEOSA-N 1 1 361.511 3.017 20 30 FGEDMO COC(=O)CC[N@H+](Cc1ccc(C#N)cc1Br)CC(C)C ZINC000480781256 502669403 /nfs/dbraw/zinc/66/94/03/502669403.db2.gz QBYJJZODWWLECP-UHFFFAOYSA-N 1 1 353.260 3.342 20 30 FGEDMO CC[C@H](OCC[NH+]1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000592998990 506327683 /nfs/dbraw/zinc/32/76/83/506327683.db2.gz JWILLFNVASWCRQ-FQEVSTJZSA-N 1 1 350.466 3.243 20 30 FGEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCOC1 ZINC000463430164 502797983 /nfs/dbraw/zinc/79/79/83/502797983.db2.gz MFTHZHHSHBSTJY-KRWDZBQOSA-N 1 1 358.486 3.141 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCOC1 ZINC000463430164 502797987 /nfs/dbraw/zinc/79/79/87/502797987.db2.gz MFTHZHHSHBSTJY-KRWDZBQOSA-N 1 1 358.486 3.141 20 30 FGEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC[C@H]1CCCO1 ZINC000467144668 502801549 /nfs/dbraw/zinc/80/15/49/502801549.db2.gz RBJKHXHEYSBGPY-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO C[N@H+]1CC[C@@]2(CCN(c3c(C#N)cnc4c(Br)cccc43)C2)C1 ZINC000488765744 502806443 /nfs/dbraw/zinc/80/64/43/502806443.db2.gz IAGOZPXIOLWBBE-GOSISDBHSA-N 1 1 371.282 3.401 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000513371297 502917619 /nfs/dbraw/zinc/91/76/19/502917619.db2.gz NNXCXJAXFHBSQE-ROUUACIJSA-N 1 1 360.498 3.352 20 30 FGEDMO COCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCO[C@H]1C ZINC000489431920 502956689 /nfs/dbraw/zinc/95/66/89/502956689.db2.gz FKFWXJATMDDWSL-WMLDXEAASA-N 1 1 357.372 3.063 20 30 FGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000489470674 502967109 /nfs/dbraw/zinc/96/71/09/502967109.db2.gz GNEUTCIIQHCODW-UTKZUKDTSA-N 1 1 358.482 3.312 20 30 FGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000489470674 502967112 /nfs/dbraw/zinc/96/71/12/502967112.db2.gz GNEUTCIIQHCODW-UTKZUKDTSA-N 1 1 358.482 3.312 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3OC)CC2)cc1 ZINC000501268327 502971229 /nfs/dbraw/zinc/97/12/29/502971229.db2.gz HQJPCJWWQDZYQY-UHFFFAOYSA-N 1 1 365.477 3.283 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ncc(C#N)cc3Cl)c2)CCO1 ZINC000513635172 502987157 /nfs/dbraw/zinc/98/71/57/502987157.db2.gz KHFRDSDMFADROS-CQSZACIVSA-N 1 1 356.857 3.439 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ncc(C#N)cc3Cl)c2)CCO1 ZINC000513635172 502987162 /nfs/dbraw/zinc/98/71/62/502987162.db2.gz KHFRDSDMFADROS-CQSZACIVSA-N 1 1 356.857 3.439 20 30 FGEDMO C=CCCCS(=O)(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000489692462 503012561 /nfs/dbraw/zinc/01/25/61/503012561.db2.gz AOJBZYHQSCPZAN-IEBWSBKVSA-N 1 1 350.528 3.173 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910638 506347624 /nfs/dbraw/zinc/34/76/24/506347624.db2.gz FIVORBRUYQPEPP-ZDUSSCGKSA-N 1 1 370.403 3.438 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000501592500 503045828 /nfs/dbraw/zinc/04/58/28/503045828.db2.gz UTTLZEBDZXAOGZ-LSDHHAIUSA-N 1 1 368.868 3.342 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000501592500 503045830 /nfs/dbraw/zinc/04/58/30/503045830.db2.gz UTTLZEBDZXAOGZ-LSDHHAIUSA-N 1 1 368.868 3.342 20 30 FGEDMO N#C[C@H]1C[N@@H+](CCCCOc2ccccc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513978715 503059719 /nfs/dbraw/zinc/05/97/19/503059719.db2.gz QZGTYCIJOIVLMG-JTSKRJEESA-N 1 1 361.445 3.191 20 30 FGEDMO N#C[C@H]1C[N@H+](CCCCOc2ccccc2)C[C@]12C(=O)Nc1ccccc12 ZINC000513978715 503059720 /nfs/dbraw/zinc/05/97/20/503059720.db2.gz QZGTYCIJOIVLMG-JTSKRJEESA-N 1 1 361.445 3.191 20 30 FGEDMO C=CCOc1cccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1 ZINC000506163071 503059971 /nfs/dbraw/zinc/05/99/71/503059971.db2.gz BMGSYRLQDSSDBK-UHFFFAOYSA-N 1 1 362.477 3.217 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000514003991 503066284 /nfs/dbraw/zinc/06/62/84/503066284.db2.gz YONSBTYNRROFGP-NFBKMPQASA-N 1 1 367.489 3.401 20 30 FGEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000490048431 503098443 /nfs/dbraw/zinc/09/84/43/503098443.db2.gz VVBYRHJCKRUTLI-ICSRJNTNSA-N 1 1 374.868 3.271 20 30 FGEDMO CCCCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000498119203 503110914 /nfs/dbraw/zinc/11/09/14/503110914.db2.gz GJKGULTZMPDZOI-UHFFFAOYSA-N 1 1 350.466 3.454 20 30 FGEDMO COc1ccc(C#N)cc1C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602926320 506354300 /nfs/dbraw/zinc/35/43/00/506354300.db2.gz RZXXDQHNPXSKSN-MRXNPFEDSA-N 1 1 350.340 3.409 20 30 FGEDMO COc1ccc(C2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)nc1 ZINC000593041009 506354510 /nfs/dbraw/zinc/35/45/10/506354510.db2.gz MUSFEFHGMLABDO-MRXNPFEDSA-N 1 1 370.497 3.001 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506760626 503166996 /nfs/dbraw/zinc/16/69/96/503166996.db2.gz VFGYENBNULJOKZ-OAHLLOKOSA-N 1 1 357.473 3.356 20 30 FGEDMO N#CC1(F)CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000510871603 503207517 /nfs/dbraw/zinc/20/75/17/503207517.db2.gz GMDGAILNNLHPDW-LJQANCHMSA-N 1 1 354.425 3.421 20 30 FGEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000514978214 503240910 /nfs/dbraw/zinc/24/09/10/503240910.db2.gz YDDNTYAOAADYNA-MSOLQXFVSA-N 1 1 368.529 3.391 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)CCC1 ZINC000511060674 503245219 /nfs/dbraw/zinc/24/52/19/503245219.db2.gz UOLNWWVVIZOGSO-UHFFFAOYSA-N 1 1 365.399 3.480 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000507219152 503252494 /nfs/dbraw/zinc/25/24/94/503252494.db2.gz NMTOCCMFSVJODP-INIZCTEOSA-N 1 1 351.450 3.186 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](OC(C)C)C2)c1C ZINC000593055225 506362090 /nfs/dbraw/zinc/36/20/90/506362090.db2.gz IQVZZDKJWCLRIA-LJQANCHMSA-N 1 1 357.498 3.440 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](OC(C)C)C2)c1C ZINC000593055225 506362097 /nfs/dbraw/zinc/36/20/97/506362097.db2.gz IQVZZDKJWCLRIA-LJQANCHMSA-N 1 1 357.498 3.440 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1C ZINC000498922725 503294051 /nfs/dbraw/zinc/29/40/51/503294051.db2.gz CVZUSRMFXKEGHQ-HOTGVXAUSA-N 1 1 362.905 3.001 20 30 FGEDMO Cc1ccccc1CNC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507849390 503379802 /nfs/dbraw/zinc/37/98/02/503379802.db2.gz ZBJMDEXOASDPMI-UHFFFAOYSA-N 1 1 363.461 3.026 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)c3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000508080105 503425916 /nfs/dbraw/zinc/42/59/16/503425916.db2.gz 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ZINC000566884715 505300147 /nfs/dbraw/zinc/30/01/47/505300147.db2.gz RAAOZFXFUZNMHX-OAQYLSRUSA-N 1 1 374.488 3.070 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2COc2cccnc2C)c1C#N ZINC000566963922 505325504 /nfs/dbraw/zinc/32/55/04/505325504.db2.gz XXJAEIBEOQBSQJ-QGZVFWFLSA-N 1 1 365.433 3.092 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2COc2cccnc2C)c1C#N ZINC000566963922 505325509 /nfs/dbraw/zinc/32/55/09/505325509.db2.gz XXJAEIBEOQBSQJ-QGZVFWFLSA-N 1 1 365.433 3.092 20 30 FGEDMO COc1ccc(C[NH+]2CCN(c3cncc4ccccc43)CC2)cc1C#N ZINC000555005950 505326424 /nfs/dbraw/zinc/32/64/24/505326424.db2.gz LQSMICTYIZOOHK-UHFFFAOYSA-N 1 1 358.445 3.437 20 30 FGEDMO N#Cc1ccc(NC(=O)NCc2c[nH+]c3n2CCCC3)cc1C(F)(F)F ZINC000551935873 505347161 /nfs/dbraw/zinc/34/71/61/505347161.db2.gz VIZOWMSCLOKRMQ-UHFFFAOYSA-N 1 1 363.343 3.432 20 30 FGEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000555144184 505362154 /nfs/dbraw/zinc/36/21/54/505362154.db2.gz BFVIDTUPXATNJN-GOSISDBHSA-N 1 1 358.486 3.021 20 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C[C@H](NC(=O)N1CCC[C@@](C)(C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000612152597 506463481 /nfs/dbraw/zinc/46/34/81/506463481.db2.gz NSEUKQYWVVBWRP-CUWPLCDZSA-N 1 1 354.498 3.232 20 30 FGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCOCC2)cc1F ZINC000599468921 506466023 /nfs/dbraw/zinc/46/60/23/506466023.db2.gz AMTIOCKMBCQOHS-WMZOPIPTSA-N 1 1 362.445 3.043 20 30 FGEDMO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000589256250 506499311 /nfs/dbraw/zinc/49/93/11/506499311.db2.gz YCEXCCHGQMHCDU-OAQYLSRUSA-N 1 1 367.468 3.468 20 30 FGEDMO COc1ccc([C@@H]2CCNC[C@@H]2[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000596650652 506512005 /nfs/dbraw/zinc/51/20/05/506512005.db2.gz JECTVHNBOUGQHR-WMQCIHAUSA-N 1 1 365.452 3.429 20 30 FGEDMO N#Cc1csc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000589316843 506514960 /nfs/dbraw/zinc/51/49/60/506514960.db2.gz GLQCNKXKAIKLGK-BHIYHBOVSA-N 1 1 352.507 3.405 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599590854 506517390 /nfs/dbraw/zinc/51/73/90/506517390.db2.gz RPYFXVHGDGJZMB-YJBOKZPZSA-N 1 1 371.481 3.187 20 30 FGEDMO N#CC1(C[C@H](O)C[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)CCOCC1 ZINC000599614486 506530551 /nfs/dbraw/zinc/53/05/51/506530551.db2.gz MURCIMZFKRMBON-HNNXBMFYSA-N 1 1 368.399 3.135 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3c(cccc3C(F)(F)F)C2)CCOCC1 ZINC000599614486 506530552 /nfs/dbraw/zinc/53/05/52/506530552.db2.gz MURCIMZFKRMBON-HNNXBMFYSA-N 1 1 368.399 3.135 20 30 FGEDMO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000596683190 506534243 /nfs/dbraw/zinc/53/42/43/506534243.db2.gz IUHRZTCEHSKIGL-QGZVFWFLSA-N 1 1 365.437 3.351 20 30 FGEDMO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000599657762 506558129 /nfs/dbraw/zinc/55/81/29/506558129.db2.gz LLZLMMUQLMFOFD-LAUBAEHRSA-N 1 1 358.530 3.013 20 30 FGEDMO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)cc1F ZINC000599677110 506572689 /nfs/dbraw/zinc/57/26/89/506572689.db2.gz GYWHIIBAVLFJQI-NVXWUHKLSA-N 1 1 373.472 3.355 20 30 FGEDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)cc1F ZINC000599677110 506572690 /nfs/dbraw/zinc/57/26/90/506572690.db2.gz GYWHIIBAVLFJQI-NVXWUHKLSA-N 1 1 373.472 3.355 20 30 FGEDMO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685266 506581203 /nfs/dbraw/zinc/58/12/03/506581203.db2.gz CROKPMZDTIGGQJ-INIZCTEOSA-N 1 1 365.452 3.297 20 30 FGEDMO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685266 506581207 /nfs/dbraw/zinc/58/12/07/506581207.db2.gz CROKPMZDTIGGQJ-INIZCTEOSA-N 1 1 365.452 3.297 20 30 FGEDMO C[C@H](CNC(=O)c1cc(F)c(C#N)c(F)c1)[N@H+]1CCc2ccccc2C1 ZINC000596763462 506586320 /nfs/dbraw/zinc/58/63/20/506586320.db2.gz NGGIQNPRCHEMKC-CYBMUJFWSA-N 1 1 355.388 3.013 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1(C#N)CCCC1 ZINC000593427144 506613678 /nfs/dbraw/zinc/61/36/78/506613678.db2.gz NGPFTENLGMQFOV-GOSISDBHSA-N 1 1 354.498 3.376 20 30 FGEDMO COc1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(F)cc1C#N ZINC000599814053 506651946 /nfs/dbraw/zinc/65/19/46/506651946.db2.gz SFHLPIBCIFQPCC-VQIMIIECSA-N 1 1 368.412 3.273 20 30 FGEDMO Cc1ccccc1OCCC[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000603909431 506655587 /nfs/dbraw/zinc/65/55/87/506655587.db2.gz VYRMNXPBRJADCN-GOSISDBHSA-N 1 1 357.498 3.427 20 30 FGEDMO C[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](Cc2ccccc2)C1 ZINC000593505220 506658075 /nfs/dbraw/zinc/65/80/75/506658075.db2.gz UUKXCAOLXYABKN-MRXNPFEDSA-N 1 1 360.383 3.335 20 30 FGEDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593538342 506676490 /nfs/dbraw/zinc/67/64/90/506676490.db2.gz LSOLOPMZMJMEJB-UHFFFAOYSA-N 1 1 371.506 3.245 20 30 FGEDMO COc1cc(OC)c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000593568240 506686583 /nfs/dbraw/zinc/68/65/83/506686583.db2.gz SULQWSGPQPECEQ-UHFFFAOYSA-N 1 1 369.440 3.032 20 30 FGEDMO COc1cc(OC)c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1F ZINC000593570789 506688180 /nfs/dbraw/zinc/68/81/80/506688180.db2.gz LEZPMJSVQMZJQX-UHFFFAOYSA-N 1 1 369.440 3.427 20 30 FGEDMO COc1cc(OC)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1F ZINC000593570789 506688187 /nfs/dbraw/zinc/68/81/87/506688187.db2.gz LEZPMJSVQMZJQX-UHFFFAOYSA-N 1 1 369.440 3.427 20 30 FGEDMO N#Cc1cccc(C2(NC(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)CC2)c1 ZINC000596953791 506697603 /nfs/dbraw/zinc/69/76/03/506697603.db2.gz CVVUWNYMGHJEQS-HXUWFJFHSA-N 1 1 360.461 3.121 20 30 FGEDMO CC[N@@H+](CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)C1CC1 ZINC000608795365 506711417 /nfs/dbraw/zinc/71/14/17/506711417.db2.gz ZYWJPVUZIICJMT-UHFFFAOYSA-N 1 1 365.437 3.351 20 30 FGEDMO CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000612735043 506713323 /nfs/dbraw/zinc/71/33/23/506713323.db2.gz FLZAIIQHFQZHON-UHFFFAOYSA-N 1 1 359.389 3.459 20 30 FGEDMO N#Cc1csc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000593669494 506721222 /nfs/dbraw/zinc/72/12/22/506721222.db2.gz QWNQFKSQAMRZRQ-UXHICEINSA-N 1 1 353.491 3.095 20 30 FGEDMO COc1cc(C)nc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593692654 506735030 /nfs/dbraw/zinc/73/50/30/506735030.db2.gz HZEJZMWCZPCULR-UHFFFAOYSA-N 1 1 350.466 3.025 20 30 FGEDMO CC(C)[NH+]1CCC(N2CCN(Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000597025453 506737138 /nfs/dbraw/zinc/73/71/38/506737138.db2.gz DDFRLXSFDJELEM-UHFFFAOYSA-N 1 1 366.553 3.232 20 30 FGEDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000583401009 506758803 /nfs/dbraw/zinc/75/88/03/506758803.db2.gz WPXUOJCENQJDSG-UGSOOPFHSA-N 1 1 353.397 3.162 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609108654 506777713 /nfs/dbraw/zinc/77/77/13/506777713.db2.gz JKTYAJHLKCTNIV-GHTZIAJQSA-N 1 1 368.525 3.298 20 30 FGEDMO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000600108424 506779581 /nfs/dbraw/zinc/77/95/81/506779581.db2.gz XDVSNVMJYMPBHB-UHFFFAOYSA-N 1 1 374.404 3.005 20 30 FGEDMO C[C@H](CNC(=O)c1cc2ccccc2n1CC#N)[N@H+]1CCc2ccccc2C1 ZINC000609162653 506799195 /nfs/dbraw/zinc/79/91/95/506799195.db2.gz PAKHKDMVYREKFV-QGZVFWFLSA-N 1 1 372.472 3.341 20 30 FGEDMO N#CC1(c2ccc(C[N@H+]3Cc4ccccc4C[C@H]3C(=O)NC3CC3)cc2)CC1 ZINC000597155738 506802661 /nfs/dbraw/zinc/80/26/61/506802661.db2.gz VKLSEUITSQAXOI-QFIPXVFZSA-N 1 1 371.484 3.447 20 30 FGEDMO N#CC1(c2ccc(C[N@@H+]3Cc4ccccc4C[C@H]3C(=O)NC3CC3)cc2)CC1 ZINC000597155738 506802663 /nfs/dbraw/zinc/80/26/63/506802663.db2.gz VKLSEUITSQAXOI-QFIPXVFZSA-N 1 1 371.484 3.447 20 30 FGEDMO CCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000597175453 506814146 /nfs/dbraw/zinc/81/41/46/506814146.db2.gz ZHNQSVWOWXSKEM-DLBZAZTESA-N 1 1 373.497 3.066 20 30 FGEDMO CN1C[C@H]([N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)CCC1=O ZINC000600178618 506824175 /nfs/dbraw/zinc/82/41/75/506824175.db2.gz MHSMBKPNGARQNF-HXUWFJFHSA-N 1 1 363.461 3.190 20 30 FGEDMO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CC[C@H]1C(=O)OC(C)(C)C ZINC000600194931 506836706 /nfs/dbraw/zinc/83/67/06/506836706.db2.gz GCXSOJFRDQZSQY-WMLDXEAASA-N 1 1 354.454 3.006 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC[C@H]1C(=O)OC(C)(C)C ZINC000600194931 506836710 /nfs/dbraw/zinc/83/67/10/506836710.db2.gz GCXSOJFRDQZSQY-WMLDXEAASA-N 1 1 354.454 3.006 20 30 FGEDMO N#Cc1ccc(NCC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000604484980 506844960 /nfs/dbraw/zinc/84/49/60/506844960.db2.gz CBHBHIZZKMBKNJ-UHFFFAOYSA-N 1 1 374.488 3.019 20 30 FGEDMO COCCOCc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000600212758 506851333 /nfs/dbraw/zinc/85/13/33/506851333.db2.gz ILPZAGPXAUPMTK-UHFFFAOYSA-N 1 1 350.462 3.474 20 30 FGEDMO CCCN(C(=O)CCCCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000593978048 506863868 /nfs/dbraw/zinc/86/38/68/506863868.db2.gz IPADPIOPEIVWHA-UHFFFAOYSA-N 1 1 357.502 3.385 20 30 FGEDMO Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000604548459 506870137 /nfs/dbraw/zinc/87/01/37/506870137.db2.gz XUJGBIBSHDBIBB-OAHLLOKOSA-N 1 1 366.465 3.001 20 30 FGEDMO Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000604548459 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ZINC000595671358 507620398 /nfs/dbraw/zinc/62/03/98/507620398.db2.gz RBPJPIXCVMKZJW-YJBOKZPZSA-N 1 1 363.889 3.070 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)c1 ZINC000595671339 507621341 /nfs/dbraw/zinc/62/13/41/507621341.db2.gz QPQBOLMYFSECIG-ICSRJNTNSA-N 1 1 357.498 3.033 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CCO)c1C ZINC000595702099 507637976 /nfs/dbraw/zinc/63/79/76/507637976.db2.gz RDWFQJNGCSRSIF-PKOBYXMFSA-N 1 1 357.498 3.033 20 30 FGEDMO C[C@H](c1cccnc1)[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595725680 507648358 /nfs/dbraw/zinc/64/83/58/507648358.db2.gz HGYQFRDRJDIJLH-MRXNPFEDSA-N 1 1 358.449 3.227 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595749925 507664534 /nfs/dbraw/zinc/66/45/34/507664534.db2.gz IMDZBDNRNHQLDD-AVRDEDQJSA-N 1 1 369.509 3.176 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc4c(s3)CCC4)CC2)cc1 ZINC000611410643 507670222 /nfs/dbraw/zinc/67/02/22/507670222.db2.gz 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C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595827620 507703328 /nfs/dbraw/zinc/70/33/28/507703328.db2.gz CJOCYVVJNUINBQ-ILXRZTDVSA-N 1 1 373.522 3.184 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595827620 507703330 /nfs/dbraw/zinc/70/33/30/507703330.db2.gz CJOCYVVJNUINBQ-ILXRZTDVSA-N 1 1 373.522 3.184 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000595844276 507710056 /nfs/dbraw/zinc/71/00/56/507710056.db2.gz CYBCGELMZWKYMP-BETUJISGSA-N 1 1 372.494 3.442 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1 ZINC000595844276 507710060 /nfs/dbraw/zinc/71/00/60/507710060.db2.gz CYBCGELMZWKYMP-BETUJISGSA-N 1 1 372.494 3.442 20 30 FGEDMO COc1cc(OC)c(C2CC[NH+](Cc3cccc(C#N)n3)CC2)c(OC)c1 ZINC000602437612 507711532 /nfs/dbraw/zinc/71/15/32/507711532.db2.gz ZTBGLKVJWYOWFC-UHFFFAOYSA-N 1 1 367.449 3.359 20 30 FGEDMO CC[N@@H+](CCOc1ccccc1OC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000595888901 507729264 /nfs/dbraw/zinc/72/92/64/507729264.db2.gz VDNCBTFHDQZQFF-MRXNPFEDSA-N 1 1 367.449 3.295 20 30 FGEDMO N#Cc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(C(F)(F)F)c1 ZINC000595894758 507731787 /nfs/dbraw/zinc/73/17/87/507731787.db2.gz YZROQCBZTCUWDG-SJLPKXTDSA-N 1 1 367.415 3.295 20 30 FGEDMO COc1c(C)c[nH+]c(CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1C ZINC000611551065 507733837 /nfs/dbraw/zinc/73/38/37/507733837.db2.gz HIDKSFSAPGILPQ-FQEVSTJZSA-N 1 1 368.456 3.229 20 30 FGEDMO Cc1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)s1 ZINC000611559934 507739112 /nfs/dbraw/zinc/73/91/12/507739112.db2.gz PVKXOTZXABZGIC-SJCJKPOMSA-N 1 1 354.479 3.478 20 30 FGEDMO N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000739106877 600571864 /nfs/dbraw/zinc/57/18/64/600571864.db2.gz UKNXMJMUMODALR-UYAOXDASSA-N 1 1 355.482 3.272 20 30 FGEDMO C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000830928502 600753625 /nfs/dbraw/zinc/75/36/25/600753625.db2.gz NQIKKOCWSUSXKD-QRQLOZEOSA-N 1 1 369.490 3.418 20 30 FGEDMO C[N@H+]1CCC[C@H](C[NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000830928502 600753627 /nfs/dbraw/zinc/75/36/27/600753627.db2.gz NQIKKOCWSUSXKD-QRQLOZEOSA-N 1 1 369.490 3.418 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1 ZINC000826385022 608462723 /nfs/dbraw/zinc/46/27/23/608462723.db2.gz UEVXGVSUUUXNJF-UHFFFAOYSA-N 1 1 360.396 3.167 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1 ZINC000826385022 608462725 /nfs/dbraw/zinc/46/27/25/608462725.db2.gz UEVXGVSUUUXNJF-UHFFFAOYSA-N 1 1 360.396 3.167 20 30 FGEDMO CC(C)CC(N)=[NH+]OCc1nc(-c2ccc(Br)s2)no1 ZINC000114451767 700577832 /nfs/dbraw/zinc/57/78/32/700577832.db2.gz HESHPXCPEABBNO-UHFFFAOYSA-N 1 1 359.249 3.396 20 30 FGEDMO C#CC[N@@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)C1CCCC1 ZINC000155766358 705090190 /nfs/dbraw/zinc/09/01/90/705090190.db2.gz NZXJRRXWAXNIHM-UHFFFAOYSA-N 1 1 362.857 3.318 20 30 FGEDMO C#CC[N@H+](CC(=O)Nc1cc2c(cc1Cl)OCCCO2)C1CCCC1 ZINC000155766358 705090196 /nfs/dbraw/zinc/09/01/96/705090196.db2.gz NZXJRRXWAXNIHM-UHFFFAOYSA-N 1 1 362.857 3.318 20 30 FGEDMO C#CC[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000155835224 705092161 /nfs/dbraw/zinc/09/21/61/705092161.db2.gz YZEQMULTPBRTCW-UHFFFAOYSA-N 1 1 350.409 3.124 20 30 FGEDMO C=CCc1cc(OC)cc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c1O ZINC000164457949 705329202 /nfs/dbraw/zinc/32/92/02/705329202.db2.gz WVDZGJLRUNUXSC-ZDUSSCGKSA-N 1 1 358.404 3.198 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@H+]2CC[C@H](COCCOC)C2)c1=S ZINC000173395220 705457229 /nfs/dbraw/zinc/45/72/29/705457229.db2.gz VVWMXKOUQGABQB-INIZCTEOSA-N 1 1 361.511 3.301 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@H](COCCOC)C2)c1=S ZINC000173395220 705457232 /nfs/dbraw/zinc/45/72/32/705457232.db2.gz VVWMXKOUQGABQB-INIZCTEOSA-N 1 1 361.511 3.301 20 30 FGEDMO C=C(Br)CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000175960522 705565724 /nfs/dbraw/zinc/56/57/24/705565724.db2.gz XRISCYKMAPNINV-HNNXBMFYSA-N 1 1 366.303 3.201 20 30 FGEDMO CSCC[C@H]([NH2+]Cc1ccc(C#N)cc1C)c1nnc2ccccn21 ZINC000188273744 712766197 /nfs/dbraw/zinc/76/61/97/712766197.db2.gz IQZJBRHLKZXSCY-KRWDZBQOSA-N 1 1 351.479 3.493 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000190575737 712817723 /nfs/dbraw/zinc/81/77/23/712817723.db2.gz XSELYURRQAXZSR-OAHLLOKOSA-N 1 1 350.340 3.069 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(-c2cccs2)cc1 ZINC000618288428 714731994 /nfs/dbraw/zinc/73/19/94/714731994.db2.gz LHXXJAURIXUPGZ-UHFFFAOYSA-N 1 1 351.479 3.487 20 30 FGEDMO CO[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000619512859 714847155 /nfs/dbraw/zinc/84/71/55/714847155.db2.gz NQBHMDLSRLVKDR-BFUOFWGJSA-N 1 1 361.511 3.326 20 30 FGEDMO CC(C)Sc1cc(Br)ccc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779799356 724427656 /nfs/dbraw/zinc/42/76/56/724427656.db2.gz KETJCSMOMRDXLX-SNVBAGLBSA-N 1 1 355.305 3.221 20 30 FGEDMO C#CC[N@H+](CCc1ccnn1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000801921463 724345854 /nfs/dbraw/zinc/34/58/54/724345854.db2.gz DNARTPPZYMDARR-QGZVFWFLSA-N 1 1 374.282 3.184 20 30 FGEDMO C=CCCCS(=O)(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000644198182 718093648 /nfs/dbraw/zinc/09/36/48/718093648.db2.gz FRNZYFBPCDQOGF-HSALFYBXSA-N 1 1 362.539 3.173 20 30 FGEDMO CCCC[C@@H](ON=C(C)C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000780982118 724519034 /nfs/dbraw/zinc/51/90/34/724519034.db2.gz RYCHJMCGTVDOFX-MRXNPFEDSA-N 1 1 351.516 3.194 20 30 FGEDMO CCCC[C@@H](ON=C(C)C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000780982118 724519037 /nfs/dbraw/zinc/51/90/37/724519037.db2.gz RYCHJMCGTVDOFX-MRXNPFEDSA-N 1 1 351.516 3.194 20 30 FGEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000656985609 719534257 /nfs/dbraw/zinc/53/42/57/719534257.db2.gz WRVSNJLCZICYHR-CYBMUJFWSA-N 1 1 368.275 3.230 20 30 FGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(F)cc2C#N)CC3)cs1 ZINC001164693800 719805343 /nfs/dbraw/zinc/80/53/43/719805343.db2.gz UVTDNZAVHRWQGZ-UHFFFAOYSA-N 1 1 371.485 3.492 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C#N)cn1)CC2 ZINC001164841796 720655720 /nfs/dbraw/zinc/65/57/20/720655720.db2.gz QCIRZUYJRKKFLG-HXUWFJFHSA-N 1 1 362.477 3.213 20 30 FGEDMO C=CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@H](C)COC ZINC000664547463 720655618 /nfs/dbraw/zinc/65/56/18/720655618.db2.gz XGHZYLBXBOGHAD-ZTFGCOKTSA-N 1 1 365.905 3.318 20 30 FGEDMO C=CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@H](C)COC ZINC000664547463 720655620 /nfs/dbraw/zinc/65/56/20/720655620.db2.gz XGHZYLBXBOGHAD-ZTFGCOKTSA-N 1 1 365.905 3.318 20 30 FGEDMO N#Cc1c(Cl)ccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900523 721521935 /nfs/dbraw/zinc/52/19/35/721521935.db2.gz RUXPZUBPVKLLOE-GDBMZVCRSA-N 1 1 372.831 3.088 20 30 FGEDMO N#Cc1cc(Cl)cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911547 721527944 /nfs/dbraw/zinc/52/79/44/721527944.db2.gz 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C#CCC[NH+]1CCN(C(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000737827425 722527388 /nfs/dbraw/zinc/52/73/88/722527388.db2.gz SGAJTHZJKIQFMY-HNNXBMFYSA-N 1 1 352.400 3.052 20 30 FGEDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000749810602 722742715 /nfs/dbraw/zinc/74/27/15/722742715.db2.gz NHGCCVUEMGLWTG-ZDUSSCGKSA-N 1 1 350.846 3.406 20 30 FGEDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000749810602 722742717 /nfs/dbraw/zinc/74/27/17/722742717.db2.gz NHGCCVUEMGLWTG-ZDUSSCGKSA-N 1 1 350.846 3.406 20 30 FGEDMO NC(=[NH+]OCc1csc(Br)c1)c1ccc2c(c1)CCO2 ZINC000753822021 722914558 /nfs/dbraw/zinc/91/45/58/722914558.db2.gz GISLTEIRZBNWQE-UHFFFAOYSA-N 1 1 353.241 3.283 20 30 FGEDMO Fc1cc(Br)cc2c1CCC2=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753934652 722918929 /nfs/dbraw/zinc/91/89/29/722918929.db2.gz JLLQOAJCCAWYRX-GASCZTMLSA-N 1 1 365.250 3.099 20 30 FGEDMO CCCOc1c(Cl)cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1OC ZINC000753938828 722919114 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C#CCOc1ccc(CNc2ccc(Cl)c(C[N@@H+](C)CCO)c2)cc1 ZINC000808411671 725199935 /nfs/dbraw/zinc/19/99/35/725199935.db2.gz GMECRPMSHFEWLA-UHFFFAOYSA-N 1 1 358.869 3.388 20 30 FGEDMO C=CCCCCCCCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000811927769 725385074 /nfs/dbraw/zinc/38/50/74/725385074.db2.gz NPQCQAZBPJWLMZ-GOSISDBHSA-N 1 1 351.535 3.408 20 30 FGEDMO CC(=NNc1ccc(Br)nc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814847523 727005734 /nfs/dbraw/zinc/00/57/34/727005734.db2.gz RDYUXOUFQYIWDC-UHFFFAOYSA-N 1 1 359.271 3.368 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1CCOCCC#N ZINC000815067377 727030700 /nfs/dbraw/zinc/03/07/00/727030700.db2.gz XSADWFNJHITSFW-IRXDYDNUSA-N 1 1 351.491 3.171 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1n1cccn1 ZINC000815167211 727047642 /nfs/dbraw/zinc/04/76/42/727047642.db2.gz UXHDBNRAZQNONN-BHIYHBOVSA-N 1 1 359.857 3.057 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199922 727051488 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FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000042978963 494255630 /nfs/dbraw/zinc/25/56/30/494255630.db2.gz QZSVUFIBJGFKKA-SCLBCKFNSA-N 1 1 353.413 3.163 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000042978963 494255633 /nfs/dbraw/zinc/25/56/33/494255633.db2.gz QZSVUFIBJGFKKA-SCLBCKFNSA-N 1 1 353.413 3.163 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000072898966 494278575 /nfs/dbraw/zinc/27/85/75/494278575.db2.gz QQOUCVPEMXIFAY-LJQANCHMSA-N 1 1 369.509 3.441 20 30 FGEDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072965533 494293374 /nfs/dbraw/zinc/29/33/74/494293374.db2.gz PJNSMYLPQZFRTG-AZUAARDMSA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072965533 494293375 /nfs/dbraw/zinc/29/33/75/494293375.db2.gz PJNSMYLPQZFRTG-AZUAARDMSA-N 1 1 368.525 3.473 20 30 FGEDMO CCOC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000072977105 494296400 /nfs/dbraw/zinc/29/64/00/494296400.db2.gz ZPOVKHLJMGSIND-RBUKOAKNSA-N 1 1 357.498 3.379 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000066425260 494331858 /nfs/dbraw/zinc/33/18/58/494331858.db2.gz LZGWEWJOZVAHEG-KRWDZBQOSA-N 1 1 358.873 3.003 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000066425260 494331865 /nfs/dbraw/zinc/33/18/65/494331865.db2.gz LZGWEWJOZVAHEG-KRWDZBQOSA-N 1 1 358.873 3.003 20 30 FGEDMO CC[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000066434167 494334468 /nfs/dbraw/zinc/33/44/68/494334468.db2.gz ORJFNDRQZRYQEZ-INIZCTEOSA-N 1 1 352.438 3.472 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(C#N)nnc2ccccc21 ZINC000078675045 494342415 /nfs/dbraw/zinc/34/24/15/494342415.db2.gz KVSPAXGAGHUNQS-SFHVURJKSA-N 1 1 357.461 3.460 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Cc2cccc(OCC#N)c2)C1 ZINC000089750723 494354200 /nfs/dbraw/zinc/35/42/00/494354200.db2.gz WVOPPSDNZAUYAW-HDICACEKSA-N 1 1 357.498 3.006 20 30 FGEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000015509468 494356857 /nfs/dbraw/zinc/35/68/57/494356857.db2.gz HFQHWPNRXWGXBE-UONOGXRCSA-N 1 1 353.422 3.253 20 30 FGEDMO C[C@H]1C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H](C)O1 ZINC000016443385 494390103 /nfs/dbraw/zinc/39/01/03/494390103.db2.gz HFLGBUYJFKSOOO-KBPBESRZSA-N 1 1 361.511 3.326 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc4cc[nH]c43)CC2)cc1 ZINC000079381691 494443195 /nfs/dbraw/zinc/44/31/95/494443195.db2.gz DJTHCIFQJXWZJJ-UHFFFAOYSA-N 1 1 358.445 3.388 20 30 FGEDMO C=CCOc1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000056040001 494445396 /nfs/dbraw/zinc/44/53/96/494445396.db2.gz WDCCWPGTHKMSKZ-UHFFFAOYSA-N 1 1 366.461 3.378 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079502496 494466721 /nfs/dbraw/zinc/46/67/21/494466721.db2.gz HJFDOOOXDCARKA-CBQOVEMMSA-N 1 1 371.525 3.153 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079502496 494466728 /nfs/dbraw/zinc/46/67/28/494466728.db2.gz HJFDOOOXDCARKA-CBQOVEMMSA-N 1 1 371.525 3.153 20 30 FGEDMO COc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000074044770 494472665 /nfs/dbraw/zinc/47/26/65/494472665.db2.gz SQYNKLCFVPCMKA-APWZRJJASA-N 1 1 354.450 3.194 20 30 FGEDMO COc1ccc([C@H](C)[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000074044767 494472733 /nfs/dbraw/zinc/47/27/33/494472733.db2.gz SQYNKLCFVPCMKA-LPHOPBHVSA-N 1 1 354.450 3.194 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000067320786 494514326 /nfs/dbraw/zinc/51/43/26/494514326.db2.gz DQIMWXSUUYIXMF-KRWDZBQOSA-N 1 1 373.497 3.359 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000080063955 494581593 /nfs/dbraw/zinc/58/15/93/494581593.db2.gz GYMXVSMZEDWDGP-UGKGYDQZSA-N 1 1 361.489 3.390 20 30 FGEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)o1 ZINC000131380058 494599664 /nfs/dbraw/zinc/59/96/64/494599664.db2.gz ODECRVWBMSVIEW-SFHVURJKSA-N 1 1 353.422 3.463 20 30 FGEDMO N#Cc1cc(F)c(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c(F)c1 ZINC000126084641 494631143 /nfs/dbraw/zinc/63/11/43/494631143.db2.gz KQEJEJWXSSQICH-OAHLLOKOSA-N 1 1 353.372 3.461 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](CCO)CC2CC2)cc1OC ZINC000092506050 494648506 /nfs/dbraw/zinc/64/85/06/494648506.db2.gz DVDMUTULUPOTGL-UHFFFAOYSA-N 1 1 370.287 3.227 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)cc1OCCCC#N ZINC000091833224 494696467 /nfs/dbraw/zinc/69/64/67/494696467.db2.gz ACYXXGMHXQPACD-KRWDZBQOSA-N 1 1 370.453 3.449 20 30 FGEDMO CCC[N@H+]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000092659553 494700447 /nfs/dbraw/zinc/70/04/47/494700447.db2.gz VEEWUDYQKWOUMF-UHFFFAOYSA-N 1 1 351.498 3.381 20 30 FGEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(OCc3ccccc3F)CC2)c1 ZINC000091866970 494709133 /nfs/dbraw/zinc/70/91/33/494709133.db2.gz YCHJHISGNMXLRG-UHFFFAOYSA-N 1 1 367.424 3.317 20 30 FGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000121362517 494721510 /nfs/dbraw/zinc/72/15/10/494721510.db2.gz CSKLOCJXLQVRGH-UHFFFAOYSA-N 1 1 352.457 3.231 20 30 FGEDMO CN(Cc1ccc(F)c(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000121362517 494721518 /nfs/dbraw/zinc/72/15/18/494721518.db2.gz CSKLOCJXLQVRGH-UHFFFAOYSA-N 1 1 352.457 3.231 20 30 FGEDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC000092708811 494723990 /nfs/dbraw/zinc/72/39/90/494723990.db2.gz SPRWKKQWPMZWOX-MRXNPFEDSA-N 1 1 352.438 3.493 20 30 FGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000131927964 494776864 /nfs/dbraw/zinc/77/68/64/494776864.db2.gz ACYNSBSHIVZJJJ-INIZCTEOSA-N 1 1 351.450 3.458 20 30 FGEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H](CC)CN1Cc1ccc(C#N)o1 ZINC000092107733 494794291 /nfs/dbraw/zinc/79/42/91/494794291.db2.gz QFUDBSCEDORFFQ-HZPDHXFCSA-N 1 1 352.438 3.491 20 30 FGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H](CC)CN1Cc1ccc(C#N)o1 ZINC000092107733 494794297 /nfs/dbraw/zinc/79/42/97/494794297.db2.gz QFUDBSCEDORFFQ-HZPDHXFCSA-N 1 1 352.438 3.491 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@@H+](CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000075588135 494800361 /nfs/dbraw/zinc/80/03/61/494800361.db2.gz QUKFBVPRPZPFDN-UHFFFAOYSA-N 1 1 361.489 3.244 20 30 FGEDMO COc1ccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C(C)(C)C)c(OC)c1 ZINC000132098813 494819832 /nfs/dbraw/zinc/81/98/32/494819832.db2.gz CCUJZUCQEOKKKT-OAQYLSRUSA-N 1 1 373.497 3.113 20 30 FGEDMO COc1ccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C(C)(C)C)c(OC)c1 ZINC000132098813 494819833 /nfs/dbraw/zinc/81/98/33/494819833.db2.gz CCUJZUCQEOKKKT-OAQYLSRUSA-N 1 1 373.497 3.113 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000121636623 494827634 /nfs/dbraw/zinc/82/76/34/494827634.db2.gz DAHFWKHJHDXUDU-KRWDZBQOSA-N 1 1 363.571 3.315 20 30 FGEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccnc3Cl)CC2)c1 ZINC000116715873 494842506 /nfs/dbraw/zinc/84/25/06/494842506.db2.gz CQAOYKIYYRIEQO-UHFFFAOYSA-N 1 1 354.841 3.457 20 30 FGEDMO COc1cc(C[N@H+]2CCCC[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000116877273 494865370 /nfs/dbraw/zinc/86/53/70/494865370.db2.gz UEVFJBPAFKJKDG-FQEVSTJZSA-N 1 1 366.461 3.493 20 30 FGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)CO1 ZINC000027642226 494878656 /nfs/dbraw/zinc/87/86/56/494878656.db2.gz MPXQFQDNSRWVJZ-UONOGXRCSA-N 1 1 361.511 3.326 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)CO1 ZINC000027642226 494878660 /nfs/dbraw/zinc/87/86/60/494878660.db2.gz MPXQFQDNSRWVJZ-UONOGXRCSA-N 1 1 361.511 3.326 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000093505217 494896626 /nfs/dbraw/zinc/89/66/26/494896626.db2.gz DDBKAIPJROJPIN-UYAOXDASSA-N 1 1 350.466 3.465 20 30 FGEDMO COc1ccc(C#N)cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000121982711 494903622 /nfs/dbraw/zinc/90/36/22/494903622.db2.gz SKBSZMHXJCMBHG-UHFFFAOYSA-N 1 1 360.461 3.146 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000121982711 494903627 /nfs/dbraw/zinc/90/36/27/494903627.db2.gz SKBSZMHXJCMBHG-UHFFFAOYSA-N 1 1 360.461 3.146 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000121982711 494903631 /nfs/dbraw/zinc/90/36/31/494903631.db2.gz SKBSZMHXJCMBHG-UHFFFAOYSA-N 1 1 360.461 3.146 20 30 FGEDMO N#CCCCOc1cccc(C[NH+]2CCN(c3ncccc3F)CC2)c1 ZINC000093687368 494912476 /nfs/dbraw/zinc/91/24/76/494912476.db2.gz WKLHFPCFAIATDM-UHFFFAOYSA-N 1 1 354.429 3.225 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000109785970 494917711 /nfs/dbraw/zinc/91/77/11/494917711.db2.gz MDTYNQONKSQMAC-HZPDHXFCSA-N 1 1 361.511 3.114 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000109785970 494917716 /nfs/dbraw/zinc/91/77/16/494917716.db2.gz MDTYNQONKSQMAC-HZPDHXFCSA-N 1 1 361.511 3.114 20 30 FGEDMO C=CCOc1ccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)cc1OC ZINC000093769649 494920613 /nfs/dbraw/zinc/92/06/13/494920613.db2.gz NRGQUGKURIKBQS-UHFFFAOYSA-N 1 1 362.514 3.050 20 30 FGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)cc3C)CC2)cs1 ZINC000122300990 494954822 /nfs/dbraw/zinc/95/48/22/494954822.db2.gz PHIDFERMVZRJMG-UHFFFAOYSA-N 1 1 368.506 3.274 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C#N ZINC000127528911 494957632 /nfs/dbraw/zinc/95/76/32/494957632.db2.gz CUAODGBNHKPTES-GXTWGEPZSA-N 1 1 358.511 3.107 20 30 FGEDMO C=C(C)COCCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000568691765 505753975 /nfs/dbraw/zinc/75/39/75/505753975.db2.gz PQZCJZTUBYHSRN-HXUWFJFHSA-N 1 1 359.514 3.181 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000110995940 495029378 /nfs/dbraw/zinc/02/93/78/495029378.db2.gz WEEFJLIQDXGWKB-QGZVFWFLSA-N 1 1 367.449 3.334 20 30 FGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(I)cc1 ZINC000098068906 495052638 /nfs/dbraw/zinc/05/26/38/495052638.db2.gz FPLVYUVGHAXGSU-UHFFFAOYSA-N 1 1 358.223 3.128 20 30 FGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(I)cc1 ZINC000098068906 495052640 /nfs/dbraw/zinc/05/26/40/495052640.db2.gz 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CCNC(=O)C[N@@H+](CC)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000119330774 495143481 /nfs/dbraw/zinc/14/34/81/495143481.db2.gz WBCAAOYYIHSSBT-UHFFFAOYSA-N 1 1 351.450 3.095 20 30 FGEDMO Cc1ncc(/C=C/C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000112270930 495164587 /nfs/dbraw/zinc/16/45/87/495164587.db2.gz WLOZYNCGSUNCRO-BQYQJAHWSA-N 1 1 366.490 3.071 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000112285081 495168270 /nfs/dbraw/zinc/16/82/70/495168270.db2.gz XELKBFULKXZWSE-UHFFFAOYSA-N 1 1 366.465 3.041 20 30 FGEDMO C[C@H](CNC(=O)CSc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1 ZINC000102986913 495179559 /nfs/dbraw/zinc/17/95/59/495179559.db2.gz OWZOJUKUQPREFS-CQSZACIVSA-N 1 1 371.531 3.275 20 30 FGEDMO C[C@H](CNC(=O)CSc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000102986913 495179564 /nfs/dbraw/zinc/17/95/64/495179564.db2.gz OWZOJUKUQPREFS-CQSZACIVSA-N 1 1 371.531 3.275 20 30 FGEDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000112700032 495224695 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N#CCNC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000180957943 496219084 /nfs/dbraw/zinc/21/90/84/496219084.db2.gz JSLYEMMXVXXKAK-UHFFFAOYSA-N 1 1 372.266 3.091 20 30 FGEDMO C=CCOc1ccc(C[N@H+](CC(=O)NC2CCOCC2)C(C)(C)C)cc1 ZINC000177847410 496221380 /nfs/dbraw/zinc/22/13/80/496221380.db2.gz PRLYWPDIJTYARK-UHFFFAOYSA-N 1 1 360.498 3.147 20 30 FGEDMO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000181010067 496239961 /nfs/dbraw/zinc/23/99/61/496239961.db2.gz TXOPMOAGGRBIQH-CQSZACIVSA-N 1 1 361.243 3.392 20 30 FGEDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000181010067 496239964 /nfs/dbraw/zinc/23/99/64/496239964.db2.gz TXOPMOAGGRBIQH-CQSZACIVSA-N 1 1 361.243 3.392 20 30 FGEDMO CN(C)C1(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCC1 ZINC000186986474 496240519 /nfs/dbraw/zinc/24/05/19/496240519.db2.gz SSBBVMUFKHACKO-UHFFFAOYSA-N 1 1 374.554 3.243 20 30 FGEDMO CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC1([NH+](C)C)CCC1 ZINC000186986474 496240525 /nfs/dbraw/zinc/24/05/25/496240525.db2.gz SSBBVMUFKHACKO-UHFFFAOYSA-N 1 1 374.554 3.243 20 30 FGEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000161906917 496260443 /nfs/dbraw/zinc/26/04/43/496260443.db2.gz TXJSVJLTZZNKSU-MEDUHNTESA-N 1 1 358.239 3.198 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3ccncc3)C2)c(OC)c1 ZINC000580783812 505838167 /nfs/dbraw/zinc/83/81/67/505838167.db2.gz WJWZCNNMKLQQRX-UXHICEINSA-N 1 1 368.477 3.048 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000181300740 496345325 /nfs/dbraw/zinc/34/53/25/496345325.db2.gz CQODSIMIRHJDTO-PMACEKPBSA-N 1 1 373.460 3.256 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172585181 496352721 /nfs/dbraw/zinc/35/27/21/496352721.db2.gz WZCBFCIJFWDVGR-IBGZPJMESA-N 1 1 368.525 3.272 20 30 FGEDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000156915192 496363169 /nfs/dbraw/zinc/36/31/69/496363169.db2.gz IYCDXZYFLTXADP-IBGZPJMESA-N 1 1 355.388 3.212 20 30 FGEDMO O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000156915192 496363173 /nfs/dbraw/zinc/36/31/73/496363173.db2.gz IYCDXZYFLTXADP-IBGZPJMESA-N 1 1 355.388 3.212 20 30 FGEDMO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(F)c(F)c1 ZINC000181430363 496391832 /nfs/dbraw/zinc/39/18/32/496391832.db2.gz JOAIZTDKLISZHR-IBGZPJMESA-N 1 1 373.403 3.189 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1csc(-c2ccc(F)cc2)n1 ZINC000153283665 496408364 /nfs/dbraw/zinc/40/83/64/496408364.db2.gz UQXMZDULYQOXMB-UHFFFAOYSA-N 1 1 370.457 3.191 20 30 FGEDMO CCC[N@H+](CCc1cccs1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000184508600 496417257 /nfs/dbraw/zinc/41/72/57/496417257.db2.gz PVTMICBGPYNADS-UHFFFAOYSA-N 1 1 362.520 3.348 20 30 FGEDMO CCC[N@@H+](CCc1cccs1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000184508600 496417262 /nfs/dbraw/zinc/41/72/62/496417262.db2.gz PVTMICBGPYNADS-UHFFFAOYSA-N 1 1 362.520 3.348 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1ccccc1Br ZINC000181516220 496428382 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C[N@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)[C@H](c2ccccc2)C1 ZINC000181595544 496461924 /nfs/dbraw/zinc/46/19/24/496461924.db2.gz RGSWXIGZPKHUGK-IBGZPJMESA-N 1 1 368.868 3.139 20 30 FGEDMO N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000175649497 496482644 /nfs/dbraw/zinc/48/26/44/496482644.db2.gz RKKMIDDWLJPVHX-IBGZPJMESA-N 1 1 366.440 3.161 20 30 FGEDMO CCOCC[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000157525657 496495347 /nfs/dbraw/zinc/49/53/47/496495347.db2.gz NCVNKFMMJFWTQI-AWEZNQCLSA-N 1 1 363.527 3.432 20 30 FGEDMO Cc1cnc(CC[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000157601177 496513404 /nfs/dbraw/zinc/51/34/04/496513404.db2.gz XAZPNQOGOGHIIP-GFCCVEGCSA-N 1 1 362.886 3.478 20 30 FGEDMO Cc1cnc(CC[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000157601177 496513407 /nfs/dbraw/zinc/51/34/07/496513407.db2.gz XAZPNQOGOGHIIP-GFCCVEGCSA-N 1 1 362.886 3.478 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000163440235 496517177 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FGEDMO COCCN(CCC#N)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000153949717 496632873 /nfs/dbraw/zinc/63/28/73/496632873.db2.gz MPYBJMRBNCUXMT-UHFFFAOYSA-N 1 1 373.526 3.270 20 30 FGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(C#N)ccc1OC ZINC000158210633 496651139 /nfs/dbraw/zinc/65/11/39/496651139.db2.gz RKYQQIUZWZISMI-UHFFFAOYSA-N 1 1 351.450 3.291 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1ccco1 ZINC000185091518 496655331 /nfs/dbraw/zinc/65/53/31/496655331.db2.gz IKBRGDGUVZAMSN-HUUCEWRRSA-N 1 1 373.478 3.326 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000179099186 496673869 /nfs/dbraw/zinc/67/38/69/496673869.db2.gz BJZJFJKRGKJUCD-QFIPXVFZSA-N 1 1 361.445 3.061 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(C#N)cc1 ZINC000179235886 496718518 /nfs/dbraw/zinc/71/85/18/496718518.db2.gz FPWOWPBYHFFHHO-UHFFFAOYSA-N 1 1 350.466 3.268 20 30 FGEDMO CN1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179252655 496721281 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C[C@H](C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)c1cc(F)cc(F)c1 ZINC000449045167 500910198 /nfs/dbraw/zinc/91/01/98/500910198.db2.gz HAGKUEHHYLJLOT-VWVPQACVSA-N 1 1 367.399 3.414 20 30 FGEDMO C[N@@H+](CCc1ccccc1O)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434981331 500919258 /nfs/dbraw/zinc/91/92/58/500919258.db2.gz JOSNFVUOOGDJKS-UHFFFAOYSA-N 1 1 361.449 3.239 20 30 FGEDMO C=CCC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000435113131 500935327 /nfs/dbraw/zinc/93/53/27/500935327.db2.gz HKNGWLIBGYBWJG-WOJBJXKFSA-N 1 1 359.514 3.350 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)c3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000439946134 500958456 /nfs/dbraw/zinc/95/84/56/500958456.db2.gz ULGPGYGUTYNWBN-CALCHBBNSA-N 1 1 363.461 3.444 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)c3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000439946134 500958458 /nfs/dbraw/zinc/95/84/58/500958458.db2.gz ULGPGYGUTYNWBN-CALCHBBNSA-N 1 1 363.461 3.444 20 30 FGEDMO Cc1cccc(N2CCC(NC(=O)C3(c4cccc(C#N)c4)CC3)CC2)[nH+]1 ZINC000435360345 500959921 /nfs/dbraw/zinc/95/99/21/500959921.db2.gz DONXCOZKRMHFQU-UHFFFAOYSA-N 1 1 360.461 3.079 20 30 FGEDMO OC[C@@]1([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CCOc2ccccc21 ZINC000440474968 501012585 /nfs/dbraw/zinc/01/25/85/501012585.db2.gz DCEQPSPQFAYIKH-IBGZPJMESA-N 1 1 361.363 3.317 20 30 FGEDMO CCO[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000449497470 501017475 /nfs/dbraw/zinc/01/74/75/501017475.db2.gz KLZLGEYWYQZREN-LPHOPBHVSA-N 1 1 353.470 3.106 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+](CCO)[C@H]3CCCc4ccccc43)o2)c1 ZINC000440634094 501031836 /nfs/dbraw/zinc/03/18/36/501031836.db2.gz ANWOGXMEABLUKT-FQEVSTJZSA-N 1 1 374.444 3.480 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+](CCO)[C@H]3CCCc4ccccc43)o2)c1 ZINC000440634094 501031838 /nfs/dbraw/zinc/03/18/38/501031838.db2.gz ANWOGXMEABLUKT-FQEVSTJZSA-N 1 1 374.444 3.480 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000435838425 501035739 /nfs/dbraw/zinc/03/57/39/501035739.db2.gz YMGLWPLLOQCBDA-IBGZPJMESA-N 1 1 363.461 3.018 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441044959 501078853 /nfs/dbraw/zinc/07/88/53/501078853.db2.gz XYYODHRZVJWPMU-QRWLVFNGSA-N 1 1 352.434 3.270 20 30 FGEDMO CC[C@@H](O)C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000441066513 501083172 /nfs/dbraw/zinc/08/31/72/501083172.db2.gz KOTLFTAPBFAQHU-LJQANCHMSA-N 1 1 362.433 3.381 20 30 FGEDMO CC[C@@H](O)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000441066513 501083173 /nfs/dbraw/zinc/08/31/73/501083173.db2.gz KOTLFTAPBFAQHU-LJQANCHMSA-N 1 1 362.433 3.381 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)n2C)[C@H]1c1ccc(F)c(F)c1 ZINC000450484184 501133019 /nfs/dbraw/zinc/13/30/19/501133019.db2.gz GSFVTMUPZBXGAK-IEBWSBKVSA-N 1 1 372.419 3.129 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)n2C)[C@H]1c1ccc(F)c(F)c1 ZINC000450484184 501133021 /nfs/dbraw/zinc/13/30/21/501133021.db2.gz GSFVTMUPZBXGAK-IEBWSBKVSA-N 1 1 372.419 3.129 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)n2C)[C@H]1c1ccc(F)c(F)c1 ZINC000450484186 501133753 /nfs/dbraw/zinc/13/37/53/501133753.db2.gz GSFVTMUPZBXGAK-PKOBYXMFSA-N 1 1 372.419 3.129 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)n2C)[C@H]1c1ccc(F)c(F)c1 ZINC000450484186 501133757 /nfs/dbraw/zinc/13/37/57/501133757.db2.gz GSFVTMUPZBXGAK-PKOBYXMFSA-N 1 1 372.419 3.129 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c1C#N ZINC000588214958 506237099 /nfs/dbraw/zinc/23/70/99/506237099.db2.gz MBSWBVXXMJAFGW-IRXDYDNUSA-N 1 1 366.461 3.331 20 30 FGEDMO C=CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)c1nc2c(s1)CCCC2 ZINC000450058893 501167579 /nfs/dbraw/zinc/16/75/79/501167579.db2.gz DRLYIQQBQKTEPU-UHFFFAOYSA-N 1 1 365.462 3.435 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc(OC)c1O ZINC000446974113 501189537 /nfs/dbraw/zinc/18/95/37/501189537.db2.gz HEXRPMDJGCNPSN-RHSMWYFYSA-N 1 1 359.388 3.265 20 30 FGEDMO Cn1c(C#N)ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450145016 501193006 /nfs/dbraw/zinc/19/30/06/501193006.db2.gz HZGFIOQXBAKNAK-AZUAARDMSA-N 1 1 362.477 3.023 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)c1 ZINC000450313781 501231450 /nfs/dbraw/zinc/23/14/50/501231450.db2.gz LYFXAHGPGCWGPE-HNNXBMFYSA-N 1 1 366.421 3.358 20 30 FGEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451149734 501248339 /nfs/dbraw/zinc/24/83/39/501248339.db2.gz ULPMPMRTJXXFMR-GZBFAFLISA-N 1 1 374.428 3.383 20 30 FGEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000451149734 501248340 /nfs/dbraw/zinc/24/83/40/501248340.db2.gz ULPMPMRTJXXFMR-GZBFAFLISA-N 1 1 374.428 3.383 20 30 FGEDMO CCOC(=O)c1cnn(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)c1 ZINC000451213335 501252798 /nfs/dbraw/zinc/25/27/98/501252798.db2.gz SDFMMESEKQAZAA-UHFFFAOYSA-N 1 1 371.868 3.402 20 30 FGEDMO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000451256292 501255426 /nfs/dbraw/zinc/25/54/26/501255426.db2.gz OKMYPEWMPLNDDT-BFYDXBDKSA-N 1 1 361.511 3.112 20 30 FGEDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000451256292 501255427 /nfs/dbraw/zinc/25/54/27/501255427.db2.gz OKMYPEWMPLNDDT-BFYDXBDKSA-N 1 1 361.511 3.112 20 30 FGEDMO C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457597024 501265874 /nfs/dbraw/zinc/26/58/74/501265874.db2.gz AGWMZGAUDFWTQV-NJDAHSKKSA-N 1 1 356.510 3.338 20 30 FGEDMO COc1c(C)c[nH+]c(CN(C)[C@H](C)C(=O)Nc2cccc(C#N)c2)c1C ZINC000451379951 501279527 /nfs/dbraw/zinc/27/95/27/501279527.db2.gz WMHBDOHCOHUUMO-OAHLLOKOSA-N 1 1 352.438 3.038 20 30 FGEDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)ncc1C#N ZINC000457672445 501283375 /nfs/dbraw/zinc/28/33/75/501283375.db2.gz CDUDSUCJSNQRRG-SJLPKXTDSA-N 1 1 354.841 3.090 20 30 FGEDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)ncc1C#N ZINC000457672445 501283379 /nfs/dbraw/zinc/28/33/79/501283379.db2.gz CDUDSUCJSNQRRG-SJLPKXTDSA-N 1 1 354.841 3.090 20 30 FGEDMO CCO[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C ZINC000451540874 501317541 /nfs/dbraw/zinc/31/75/41/501317541.db2.gz LEEQXLHUURGUHC-CJNGLKHVSA-N 1 1 361.511 3.184 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000451550994 501321118 /nfs/dbraw/zinc/32/11/18/501321118.db2.gz VUEHXXNRIZYPPM-XJKSGUPXSA-N 1 1 361.511 3.184 20 30 FGEDMO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000453424342 501328589 /nfs/dbraw/zinc/32/85/89/501328589.db2.gz IRYHTPAWIPNDBD-PKOBYXMFSA-N 1 1 367.497 3.059 20 30 FGEDMO C=CCn1c(Cc2ccccc2C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000453426038 501329257 /nfs/dbraw/zinc/32/92/57/501329257.db2.gz PTZDBWWFENSVDR-UHFFFAOYSA-N 1 1 353.514 3.284 20 30 FGEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453456864 501337215 /nfs/dbraw/zinc/33/72/15/501337215.db2.gz WSKUMQRXHMNJSL-ICBNADEASA-N 1 1 373.545 3.118 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000453458948 501337703 /nfs/dbraw/zinc/33/77/03/501337703.db2.gz BOABOZJPPPNKQR-MSOLQXFVSA-N 1 1 361.534 3.264 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451620637 501338430 /nfs/dbraw/zinc/33/84/30/501338430.db2.gz PLWTZASFMNEQEE-NJYVYQBISA-N 1 1 371.521 3.436 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451699166 501354504 /nfs/dbraw/zinc/35/45/04/501354504.db2.gz ULRQQOMLDFMSMT-LNCBFAARSA-N 1 1 361.873 3.022 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000451715208 501358235 /nfs/dbraw/zinc/35/82/35/501358235.db2.gz QKLUGHUYKHCEBZ-GOSISDBHSA-N 1 1 369.852 3.413 20 30 FGEDMO N#Cc1ccc(C[N@H+](CCC(N)=O)[C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000451715208 501358238 /nfs/dbraw/zinc/35/82/38/501358238.db2.gz QKLUGHUYKHCEBZ-GOSISDBHSA-N 1 1 369.852 3.413 20 30 FGEDMO N#C[C@]1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC12CCCC2 ZINC000451859849 501387482 /nfs/dbraw/zinc/38/74/82/501387482.db2.gz LIRJCDZUSDJZSD-VIZSFHNOSA-N 1 1 363.505 3.441 20 30 FGEDMO C[N@@H+](CCOCC(F)(F)C(F)(F)F)C1CCN(CC(F)(F)F)CC1 ZINC000452034044 501421860 /nfs/dbraw/zinc/42/18/60/501421860.db2.gz RFEWJWLRADDAFI-UHFFFAOYSA-N 1 1 372.300 3.159 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000452044353 501424298 /nfs/dbraw/zinc/42/42/98/501424298.db2.gz CSFKUNTYKJZEOR-UHFFFAOYSA-N 1 1 367.493 3.415 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000452044353 501424300 /nfs/dbraw/zinc/42/43/00/501424300.db2.gz CSFKUNTYKJZEOR-UHFFFAOYSA-N 1 1 367.493 3.415 20 30 FGEDMO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000456558532 501548014 /nfs/dbraw/zinc/54/80/14/501548014.db2.gz RTCCRVNWRCMSEX-INIZCTEOSA-N 1 1 367.449 3.287 20 30 FGEDMO C[C@H](CNC(=O)NCc1ccc(C#N)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000454484555 501557218 /nfs/dbraw/zinc/55/72/18/501557218.db2.gz JCCLFFJMSUTWNR-OAHLLOKOSA-N 1 1 354.429 3.017 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000459034726 501580706 /nfs/dbraw/zinc/58/07/06/501580706.db2.gz SKAWDFXTBKCXIT-AFYVEPGGSA-N 1 1 357.498 3.024 20 30 FGEDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C[C@@H]21 ZINC000452976552 501595581 /nfs/dbraw/zinc/59/55/81/501595581.db2.gz OYHGZHHMOLAWHJ-MJGOQNOKSA-N 1 1 363.486 3.486 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459340344 501634938 /nfs/dbraw/zinc/63/49/38/501634938.db2.gz IPFRNHINYDOEAR-MRXNPFEDSA-N 1 1 350.422 3.173 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000459474507 501659725 /nfs/dbraw/zinc/65/97/25/501659725.db2.gz XZDIACDXKOFSTD-RLLQIKCJSA-N 1 1 363.417 3.471 20 30 FGEDMO C[C@H]1[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000454953399 501661111 /nfs/dbraw/zinc/66/11/11/501661111.db2.gz CMPWBOYRWZURID-MGPUTAFESA-N 1 1 366.440 3.160 20 30 FGEDMO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)C1 ZINC000459486496 501662383 /nfs/dbraw/zinc/66/23/83/501662383.db2.gz UYFFURAMFBWPGS-ZACQAIPSSA-N 1 1 374.554 3.291 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000459519476 501668677 /nfs/dbraw/zinc/66/86/77/501668677.db2.gz GCLUMMYDZDDIJA-HXUWFJFHSA-N 1 1 369.396 3.033 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000459519476 501668678 /nfs/dbraw/zinc/66/86/78/501668678.db2.gz GCLUMMYDZDDIJA-HXUWFJFHSA-N 1 1 369.396 3.033 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000459527665 501669905 /nfs/dbraw/zinc/66/99/05/501669905.db2.gz KQFDACFZQFIENK-UHFFFAOYSA-N 1 1 365.433 3.413 20 30 FGEDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000459570543 501678685 /nfs/dbraw/zinc/67/86/85/501678685.db2.gz BNKXNRHOBBQOFD-FQEVSTJZSA-N 1 1 368.437 3.162 20 30 FGEDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000459570543 501678687 /nfs/dbraw/zinc/67/86/87/501678687.db2.gz BNKXNRHOBBQOFD-FQEVSTJZSA-N 1 1 368.437 3.162 20 30 FGEDMO Cc1nsc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000459597899 501684586 /nfs/dbraw/zinc/68/45/86/501684586.db2.gz YFAKXRKJOXXUPL-SUMWQHHRSA-N 1 1 369.494 3.355 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459816243 501717840 /nfs/dbraw/zinc/71/78/40/501717840.db2.gz WIVNILKSLPTBSN-DLBZAZTESA-N 1 1 373.497 3.231 20 30 FGEDMO C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000460033322 501725289 /nfs/dbraw/zinc/72/52/89/501725289.db2.gz XEZKHIUPZAUJON-LRDNONRASA-N 1 1 372.444 3.127 20 30 FGEDMO C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000460033322 501725290 /nfs/dbraw/zinc/72/52/90/501725290.db2.gz XEZKHIUPZAUJON-LRDNONRASA-N 1 1 372.444 3.127 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000460050243 501725618 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30 FGEDMO CCOC(=O)c1cccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000600113544 506781850 /nfs/dbraw/zinc/78/18/50/506781850.db2.gz SHXMBNCCPDJNEN-UHFFFAOYSA-N 1 1 365.433 3.173 20 30 FGEDMO Cc1cnn(CCCCC[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000609157845 506797201 /nfs/dbraw/zinc/79/72/01/506797201.db2.gz KQDMDGRRVQPAJZ-UHFFFAOYSA-N 1 1 365.525 3.441 20 30 FGEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H](Cn4ccnn4)C3)c2)c1 ZINC000597176896 506814930 /nfs/dbraw/zinc/81/49/30/506814930.db2.gz XTGQSBOUZJLYPU-OAQYLSRUSA-N 1 1 373.460 3.251 20 30 FGEDMO C[C@@]1(C2CC2)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCO1 ZINC000597180209 506817225 /nfs/dbraw/zinc/81/72/25/506817225.db2.gz PEOHSESKWPPWRB-NRFANRHFSA-N 1 1 350.466 3.465 20 30 FGEDMO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597196823 506828870 /nfs/dbraw/zinc/82/88/70/506828870.db2.gz BZDQGWFHOVGREN-XMSQKQJNSA-N 1 1 368.477 3.032 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000609280756 506832701 /nfs/dbraw/zinc/83/27/01/506832701.db2.gz OKDIEKIXBZINJJ-VXKWHMMOSA-N 1 1 364.489 3.447 20 30 FGEDMO COc1cccc(C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC(C)C)c1 ZINC000604494715 506851214 /nfs/dbraw/zinc/85/12/14/506851214.db2.gz YKKLWUWPXVGMLT-UHFFFAOYSA-N 1 1 365.477 3.341 20 30 FGEDMO N#C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC12CCCC2 ZINC000590626088 506887390 /nfs/dbraw/zinc/88/73/90/506887390.db2.gz LBUAADTWARRRTK-DENIHFKCSA-N 1 1 351.494 3.489 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](OC4CCC4)C3)C2=O)cc1 ZINC000594027581 506892596 /nfs/dbraw/zinc/89/25/96/506892596.db2.gz WOVYCMORMALKMP-WOJBJXKFSA-N 1 1 353.466 3.087 20 30 FGEDMO C[C@H](CC#N)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000597319295 506894816 /nfs/dbraw/zinc/89/48/16/506894816.db2.gz GSEIAOHYILBREA-WBVHZDCISA-N 1 1 367.415 3.449 20 30 FGEDMO C[C@@H](CC#N)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000597319294 506895001 /nfs/dbraw/zinc/89/50/01/506895001.db2.gz GSEIAOHYILBREA-RDJZCZTQSA-N 1 1 367.415 3.449 20 30 FGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609546804 506918330 /nfs/dbraw/zinc/91/83/30/506918330.db2.gz CMQAUEYPWWNKNT-HNNXBMFYSA-N 1 1 360.477 3.397 20 30 FGEDMO CC[C@@H](C#N)N(C)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000594093725 506935765 /nfs/dbraw/zinc/93/57/65/506935765.db2.gz FALWRQGHRRPGLQ-RDJZCZTQSA-N 1 1 353.388 3.202 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)C[C@H]1C ZINC000597427657 506949582 /nfs/dbraw/zinc/94/95/82/506949582.db2.gz WXVKHZCCYIRDCG-HZPDHXFCSA-N 1 1 364.497 3.146 20 30 FGEDMO C[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000597483028 506973941 /nfs/dbraw/zinc/97/39/41/506973941.db2.gz IOHJXOADOJLLLH-GOEBONIOSA-N 1 1 369.415 3.477 20 30 FGEDMO Cc1nc(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)ccc1C#N ZINC000609976091 507059760 /nfs/dbraw/zinc/05/97/60/507059760.db2.gz VZIODQNLGYEVMG-HUUCEWRRSA-N 1 1 364.449 3.123 20 30 FGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594281007 507060181 /nfs/dbraw/zinc/06/01/81/507060181.db2.gz AIKQVVXDMPBNLQ-VQTJNVASSA-N 1 1 352.482 3.273 20 30 FGEDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c(Cl)cc(C#N)cc1Cl)C2 ZINC000597710526 507069889 /nfs/dbraw/zinc/06/98/89/507069889.db2.gz OLWUBDDDEVZIIF-QGZVFWFLSA-N 1 1 352.265 3.423 20 30 FGEDMO C=CCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000605149643 507092632 /nfs/dbraw/zinc/09/26/32/507092632.db2.gz JMAQWKPIWYUXQN-UHFFFAOYSA-N 1 1 363.310 3.266 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000610216045 507143152 /nfs/dbraw/zinc/14/31/52/507143152.db2.gz GIWJBQYMKHMIAF-ZNLUXHQJSA-N 1 1 350.462 3.424 20 30 FGEDMO C[C@@H](C(=O)N[C@H](C#N)c1ccccc1Br)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000591183452 507145894 /nfs/dbraw/zinc/14/58/94/507145894.db2.gz ZAKGYNBKYLFFGH-RSUWNVLCSA-N 1 1 364.287 3.391 20 30 FGEDMO CC[N@@H+](CCNc1cccc(-n2cccn2)c1C#N)CCC(F)(F)F ZINC000594575221 507192358 /nfs/dbraw/zinc/19/23/58/507192358.db2.gz MLXAYWGJNDCGAT-UHFFFAOYSA-N 1 1 351.376 3.430 20 30 FGEDMO N#Cc1cccc(Oc2ccc(NC(=O)N3CC[NH+](C4CC4)CC3)cn2)c1 ZINC000610321272 507193344 /nfs/dbraw/zinc/19/33/44/507193344.db2.gz OJHLJAVXBIJVPE-UHFFFAOYSA-N 1 1 363.421 3.057 20 30 FGEDMO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1cccc(C#N)c1 ZINC000597948795 507193603 /nfs/dbraw/zinc/19/36/03/507193603.db2.gz NXDUQAKHGQLYOI-LJQANCHMSA-N 1 1 362.477 3.217 20 30 FGEDMO COc1ccc(COCC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 ZINC000610432554 507235642 /nfs/dbraw/zinc/23/56/42/507235642.db2.gz VBQMZYVZGPBGQO-QFIPXVFZSA-N 1 1 365.477 3.094 20 30 FGEDMO N#Cc1cncc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)n1 ZINC000591459214 507259010 /nfs/dbraw/zinc/25/90/10/507259010.db2.gz GCNNESLKWXFLNN-UHFFFAOYSA-N 1 1 360.421 3.080 20 30 FGEDMO CCN1CCC([N@@H+]2CCCN(c3ncc(C#N)c4ccsc43)CC2)CC1 ZINC000601175835 507287478 /nfs/dbraw/zinc/28/74/78/507287478.db2.gz QWJMCGAHYHBIFJ-UHFFFAOYSA-N 1 1 369.538 3.164 20 30 FGEDMO CCN1CCC([N@H+]2CCCN(c3ncc(C#N)c4ccsc43)CC2)CC1 ZINC000601175835 507287483 /nfs/dbraw/zinc/28/74/83/507287483.db2.gz QWJMCGAHYHBIFJ-UHFFFAOYSA-N 1 1 369.538 3.164 20 30 FGEDMO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000584360493 507302330 /nfs/dbraw/zinc/30/23/30/507302330.db2.gz JCPIVSLLHFCPGB-KGLIPLIRSA-N 1 1 353.388 3.286 20 30 FGEDMO N#Cc1ccc(OC2CCC([NH2+]Cc3ccnn3-c3ccncc3)CC2)nc1 ZINC000594935806 507321060 /nfs/dbraw/zinc/32/10/60/507321060.db2.gz QIDKCJVHQNFAHU-UHFFFAOYSA-N 1 1 374.448 3.014 20 30 FGEDMO C[C@@H](NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073192 507379574 /nfs/dbraw/zinc/37/95/74/507379574.db2.gz SYGVWVVBMGFWIZ-BEFAXECRSA-N 1 1 353.441 3.115 20 30 FGEDMO C[C@@H](NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073192 507379579 /nfs/dbraw/zinc/37/95/79/507379579.db2.gz SYGVWVVBMGFWIZ-BEFAXECRSA-N 1 1 353.441 3.115 20 30 FGEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)ccc1S(C)(=O)=O ZINC000595091656 507386934 /nfs/dbraw/zinc/38/69/34/507386934.db2.gz SUHIMDPWQZLPIZ-CQSZACIVSA-N 1 1 350.484 3.223 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614163003 507389894 /nfs/dbraw/zinc/38/98/94/507389894.db2.gz QFXXLHOWXFIJRY-BGYRXZFFSA-N 1 1 368.569 3.478 20 30 FGEDMO CC1CC(C#N)(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000598395055 507407519 /nfs/dbraw/zinc/40/75/19/507407519.db2.gz BAYPSRIVAFFGSE-OZWAEMERSA-N 1 1 351.494 3.345 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCC(C)(C#N)CC1 ZINC000601633652 507410256 /nfs/dbraw/zinc/41/02/56/507410256.db2.gz UQKLSLQMYPBBCH-HKUYNNGSSA-N 1 1 354.498 3.090 20 30 FGEDMO Cc1ccc(C(=O)N2CC[NH+](CCc3ccc(C#N)cc3)CC2)cc1F ZINC000595298749 507452779 /nfs/dbraw/zinc/45/27/79/507452779.db2.gz SDJMPFPWGREJTB-UHFFFAOYSA-N 1 1 351.425 3.006 20 30 FGEDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](CCc1ccc(C#N)cc1)CC2 ZINC000595351016 507467765 /nfs/dbraw/zinc/46/77/65/507467765.db2.gz DQQXRJYSRKDWGM-UHFFFAOYSA-N 1 1 366.461 3.227 20 30 FGEDMO N#CCn1c(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc2ccccc21 ZINC000598558065 507485127 /nfs/dbraw/zinc/48/51/27/507485127.db2.gz BXZOGIKPUQPFRZ-QGZVFWFLSA-N 1 1 350.466 3.017 20 30 FGEDMO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611089166 507510655 /nfs/dbraw/zinc/51/06/55/507510655.db2.gz CPPKJAVHXRZJOK-HXUWFJFHSA-N 1 1 368.502 3.348 20 30 FGEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611089166 507510660 /nfs/dbraw/zinc/51/06/60/507510660.db2.gz CPPKJAVHXRZJOK-HXUWFJFHSA-N 1 1 368.502 3.348 20 30 FGEDMO CC[N@H+]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1C ZINC000611091890 507513846 /nfs/dbraw/zinc/51/38/46/507513846.db2.gz BPONWOGGTRMTEB-JKSUJKDBSA-N 1 1 360.527 3.045 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598609085 507516277 /nfs/dbraw/zinc/51/62/77/507516277.db2.gz QDEYKCKDCCDSHF-QAETUUGQSA-N 1 1 350.503 3.262 20 30 FGEDMO COc1ccc(Br)c(C[N@H+](C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598609305 507518149 /nfs/dbraw/zinc/51/81/49/507518149.db2.gz GKHIHJOIESYHEF-ZDUSSCGKSA-N 1 1 355.276 3.190 20 30 FGEDMO COc1ccc(Br)c(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598609305 507518156 /nfs/dbraw/zinc/51/81/56/507518156.db2.gz GKHIHJOIESYHEF-ZDUSSCGKSA-N 1 1 355.276 3.190 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1c1ccccc1 ZINC000598625718 507521309 /nfs/dbraw/zinc/52/13/09/507521309.db2.gz QORCLKAJPGXQKS-CEXWTWQISA-N 1 1 372.509 3.344 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000592198021 507533868 /nfs/dbraw/zinc/53/38/68/507533868.db2.gz HANVFORMNHKSND-LJQANCHMSA-N 1 1 363.465 3.337 20 30 FGEDMO CC[N@H+]1CCCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H](C)C1 ZINC000595535689 507549321 /nfs/dbraw/zinc/54/93/21/507549321.db2.gz JGCBCDICSKPCSE-DLBZAZTESA-N 1 1 374.554 3.293 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000611259086 507585325 /nfs/dbraw/zinc/58/53/25/507585325.db2.gz FPXBTZZVYJNDEV-UHFFFAOYSA-N 1 1 374.488 3.163 20 30 FGEDMO C=CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H](C)COC ZINC000595645813 507612369 /nfs/dbraw/zinc/61/23/69/507612369.db2.gz HUBMJPGHASXSAX-CQSZACIVSA-N 1 1 361.511 3.350 20 30 FGEDMO CO[C@]1(CO)CCC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000595660164 507618036 /nfs/dbraw/zinc/61/80/36/507618036.db2.gz RMMMZZQVBKPPKF-JOCHJYFZSA-N 1 1 364.489 3.360 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000595699048 507633445 /nfs/dbraw/zinc/63/34/45/507633445.db2.gz QVVVXCSTXINCAR-IBGZPJMESA-N 1 1 352.482 3.230 20 30 FGEDMO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1OCC(=O)NC ZINC000611380118 507651029 /nfs/dbraw/zinc/65/10/29/507651029.db2.gz VEBVUDNIDJKKCN-KRWDZBQOSA-N 1 1 355.413 3.063 20 30 FGEDMO CN(CCc1ccccc1)[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000595748729 507662950 /nfs/dbraw/zinc/66/29/50/507662950.db2.gz LEVZBIUVLKLYSX-NRFANRHFSA-N 1 1 355.526 3.336 20 30 FGEDMO C[N@H+](CCc1ccccc1)[C@H]1CCN(CCCC2(C#N)CCOCC2)C1 ZINC000595748729 507662951 /nfs/dbraw/zinc/66/29/51/507662951.db2.gz LEVZBIUVLKLYSX-NRFANRHFSA-N 1 1 355.526 3.336 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(CCCC2(C#N)CCOCC2)C1 ZINC000595748729 507662959 /nfs/dbraw/zinc/66/29/59/507662959.db2.gz LEVZBIUVLKLYSX-NRFANRHFSA-N 1 1 355.526 3.336 20 30 FGEDMO N#Cc1cccc(C2([NH2+]Cc3nnc(C4CC4)n3C3CC3)CCOCC2)c1 ZINC000595765732 507674982 /nfs/dbraw/zinc/67/49/82/507674982.db2.gz WRICYPKLHCAIKV-UHFFFAOYSA-N 1 1 363.465 3.158 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)o2)c1 ZINC000595788299 507685810 /nfs/dbraw/zinc/68/58/10/507685810.db2.gz IOPTWCHNBMFLCC-MSOLQXFVSA-N 1 1 352.438 3.389 20 30 FGEDMO COc1cc(OC)cc(Oc2ccc(C[N@H+]3CC[C@](O)(CC#N)C3)cc2)c1 ZINC000592523165 507692771 /nfs/dbraw/zinc/69/27/71/507692771.db2.gz WKYGFHWXOZCOEZ-OAQYLSRUSA-N 1 1 368.433 3.347 20 30 FGEDMO Cn1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000595821969 507700704 /nfs/dbraw/zinc/70/07/04/507700704.db2.gz KGDSIWUOMLOMBA-UHFFFAOYSA-N 1 1 362.477 3.350 20 30 FGEDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595852275 507714116 /nfs/dbraw/zinc/71/41/16/507714116.db2.gz ZGFUJMAUEKHOTA-OAHLLOKOSA-N 1 1 353.388 3.314 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(N[C@@H](C)CC3(C#N)CCOCC3)cc2)CC1 ZINC000602485570 507722601 /nfs/dbraw/zinc/72/26/01/507722601.db2.gz VMXWBPYIOIZEKK-IBGZPJMESA-N 1 1 370.541 3.335 20 30 FGEDMO COCc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611550538 507733578 /nfs/dbraw/zinc/73/35/78/507733578.db2.gz GGNZBOGKVSFOIT-NRFANRHFSA-N 1 1 353.441 3.355 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC3CC2(C)C3)c1C#N ZINC000595914872 507742747 /nfs/dbraw/zinc/74/27/47/507742747.db2.gz FXSBFWWNBXZTIK-UHFFFAOYSA-N 1 1 352.438 3.041 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC3CC2(C)C3)c1C#N ZINC000595914872 507742754 /nfs/dbraw/zinc/74/27/54/507742754.db2.gz FXSBFWWNBXZTIK-UHFFFAOYSA-N 1 1 352.438 3.041 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3cccc(C#N)c3F)C2)s1 ZINC000595922135 507746436 /nfs/dbraw/zinc/74/64/36/507746436.db2.gz YHRAWJLMHXXPFP-AWEZNQCLSA-N 1 1 359.426 3.320 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3F)C2)s1 ZINC000595922135 507746443 /nfs/dbraw/zinc/74/64/43/507746443.db2.gz YHRAWJLMHXXPFP-AWEZNQCLSA-N 1 1 359.426 3.320 20 30 FGEDMO C[N@H+]1CCN(c2nc3cc(Cl)ccn3c2C#N)C[C@@H]1Cc1ccccc1 ZINC000588053410 507747256 /nfs/dbraw/zinc/74/72/56/507747256.db2.gz NDCNEUSYNUNCSS-KRWDZBQOSA-N 1 1 365.868 3.222 20 30 FGEDMO C=CCCC[N@H+](C)CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000735413720 599475927 /nfs/dbraw/zinc/47/59/27/599475927.db2.gz YNPVWXDCGRLRMU-UHFFFAOYSA-N 1 1 374.514 3.034 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000819745689 599566118 /nfs/dbraw/zinc/56/61/18/599566118.db2.gz PPAQCHCQAZONNF-HXUWFJFHSA-N 1 1 363.465 3.205 20 30 FGEDMO C[C@H](CC[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000827412285 601306468 /nfs/dbraw/zinc/30/64/68/601306468.db2.gz GTYDZTCAGLEHEM-UZLBHIALSA-N 1 1 351.450 3.184 20 30 FGEDMO C[C@H](CC[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000827412285 601306471 /nfs/dbraw/zinc/30/64/71/601306471.db2.gz GTYDZTCAGLEHEM-UZLBHIALSA-N 1 1 351.450 3.184 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822801752 606980080 /nfs/dbraw/zinc/98/00/80/606980080.db2.gz NWNLCKOSDLTKSS-IEBWSBKVSA-N 1 1 362.412 3.278 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822801752 606980081 /nfs/dbraw/zinc/98/00/81/606980081.db2.gz NWNLCKOSDLTKSS-IEBWSBKVSA-N 1 1 362.412 3.278 20 30 FGEDMO CC[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821222024 607057687 /nfs/dbraw/zinc/05/76/87/607057687.db2.gz NSASDMYZHJEXPZ-ZDUSSCGKSA-N 1 1 350.401 3.461 20 30 FGEDMO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222026 607058027 /nfs/dbraw/zinc/05/80/27/607058027.db2.gz NSCVEAJBFZZWLM-CYBMUJFWSA-N 1 1 350.401 3.461 20 30 FGEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222026 607058028 /nfs/dbraw/zinc/05/80/28/607058028.db2.gz NSCVEAJBFZZWLM-CYBMUJFWSA-N 1 1 350.401 3.461 20 30 FGEDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(C#N)c1F ZINC000824293467 608387557 /nfs/dbraw/zinc/38/75/57/608387557.db2.gz MVSJFFNDLWHFLN-UHFFFAOYSA-N 1 1 350.401 3.288 20 30 FGEDMO CC(C)C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824261815 608569081 /nfs/dbraw/zinc/56/90/81/608569081.db2.gz QWPDWWMVJYOREG-UHFFFAOYSA-N 1 1 352.467 3.458 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC)c(OC)c1 ZINC000823914647 608631947 /nfs/dbraw/zinc/63/19/47/608631947.db2.gz KNHDNODQFQGVAM-UHFFFAOYSA-N 1 1 365.437 3.072 20 30 FGEDMO C=CC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914723 608632479 /nfs/dbraw/zinc/63/24/79/608632479.db2.gz MNZGGIZIKLLVOG-UHFFFAOYSA-N 1 1 359.437 3.011 20 30 FGEDMO C=CC[N@H+](Cc1cnc2ccc(C)cn12)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914723 608632483 /nfs/dbraw/zinc/63/24/83/608632483.db2.gz MNZGGIZIKLLVOG-UHFFFAOYSA-N 1 1 359.437 3.011 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1c(C)cc(OC)nc1C ZINC000823915144 609406929 /nfs/dbraw/zinc/40/69/29/609406929.db2.gz SNCVKGSDYMSAER-UHFFFAOYSA-N 1 1 364.453 3.075 20 30 FGEDMO C=C(Br)CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000073208128 695966905 /nfs/dbraw/zinc/96/69/05/695966905.db2.gz XEYGVQWDFKVXKQ-GJZGRUSLSA-N 1 1 358.324 3.191 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1ccc(F)cc1Br ZINC000078639403 700283960 /nfs/dbraw/zinc/28/39/60/700283960.db2.gz IFGYKMIBVTXXSQ-NSHDSACASA-N 1 1 358.255 3.251 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1ccc(SC(=O)N(C)C)cc1 ZINC000084489792 700357023 /nfs/dbraw/zinc/35/70/23/700357023.db2.gz HXTNFMWPDKITLG-AWEZNQCLSA-N 1 1 364.515 3.124 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1noc(-c2ccc(Cl)cc2)n1 ZINC000111179064 700546607 /nfs/dbraw/zinc/54/66/07/700546607.db2.gz CIIALXOBRFHSQD-GFCCVEGCSA-N 1 1 363.849 3.053 20 30 FGEDMO Oc1ccc2ccccc2c1/C=N/C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000122560731 700691989 /nfs/dbraw/zinc/69/19/89/700691989.db2.gz ZOJBWMQOKXZHIV-DZSVRRGNSA-N 1 1 356.491 3.172 20 30 FGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCN(CC)CC2)cc1 ZINC000155749664 705089900 /nfs/dbraw/zinc/08/99/00/705089900.db2.gz HXULFYVTXSCTHN-QZTJIDSGSA-N 1 1 365.949 3.495 20 30 FGEDMO C#CCOc1ccc(Br)cc1CNC[C@@H](C)[N@@H+](C)C1CC1 ZINC000222101594 713569402 /nfs/dbraw/zinc/56/94/02/713569402.db2.gz QNMPPMDJTIBDIF-CYBMUJFWSA-N 1 1 351.288 3.033 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000222101594 713569404 /nfs/dbraw/zinc/56/94/04/713569404.db2.gz QNMPPMDJTIBDIF-CYBMUJFWSA-N 1 1 351.288 3.033 20 30 FGEDMO C=C(Br)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245637812 713608787 /nfs/dbraw/zinc/60/87/87/713608787.db2.gz WKSRFDGJGKFSHP-UONOGXRCSA-N 1 1 372.694 3.293 20 30 FGEDMO C=C(Br)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245637812 713608789 /nfs/dbraw/zinc/60/87/89/713608789.db2.gz WKSRFDGJGKFSHP-UONOGXRCSA-N 1 1 372.694 3.293 20 30 FGEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[N@H+](C)C1 ZINC000329135349 713827702 /nfs/dbraw/zinc/82/77/02/713827702.db2.gz QOAKABZKRFOZLR-WMZOPIPTSA-N 1 1 364.511 3.406 20 30 FGEDMO CO[C@H]1C[C@@H](C(=O)Nc2cccc(CSC3CCOCC3)c2)[N@@H+](C)C1 ZINC000329135349 713827705 /nfs/dbraw/zinc/82/77/05/713827705.db2.gz QOAKABZKRFOZLR-WMZOPIPTSA-N 1 1 364.511 3.406 20 30 FGEDMO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000374678865 713938664 /nfs/dbraw/zinc/93/86/64/713938664.db2.gz LCQQMVWKONCBEX-JKSUJKDBSA-N 1 1 361.511 3.378 20 30 FGEDMO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000374678865 713938665 /nfs/dbraw/zinc/93/86/65/713938665.db2.gz LCQQMVWKONCBEX-JKSUJKDBSA-N 1 1 361.511 3.378 20 30 FGEDMO CO[C@@H](C)C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000524619860 714291840 /nfs/dbraw/zinc/29/18/40/714291840.db2.gz MBOFBPSRGBRZDG-HNNXBMFYSA-N 1 1 351.878 3.332 20 30 FGEDMO CC[N@@H+](CCNC(=O)N[C@@H](C)c1cccc(C#N)c1)CCC(F)(F)F ZINC000617299091 714644091 /nfs/dbraw/zinc/64/40/91/714644091.db2.gz YCYZXOSHLGMACB-ZDUSSCGKSA-N 1 1 356.392 3.193 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000779155804 724396213 /nfs/dbraw/zinc/39/62/13/724396213.db2.gz KIUHLJGOMNYIDE-MRXNPFEDSA-N 1 1 362.901 3.336 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CCN(CC=C)C2=O)cc1OC ZINC000628259283 716131587 /nfs/dbraw/zinc/13/15/87/716131587.db2.gz OAXORMIIIPSPNV-MRXNPFEDSA-N 1 1 364.873 3.132 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCN(CC=C)C2=O)cc1OC ZINC000628259283 716131589 /nfs/dbraw/zinc/13/15/89/716131589.db2.gz OAXORMIIIPSPNV-MRXNPFEDSA-N 1 1 364.873 3.132 20 30 FGEDMO O=c1c(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cccn1C(F)F ZINC000638160280 717414884 /nfs/dbraw/zinc/41/48/84/717414884.db2.gz WFBSVIHGLXLYAX-IUCAKERBSA-N 1 1 364.236 3.416 20 30 FGEDMO C=CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC000658435874 719797927 /nfs/dbraw/zinc/79/79/27/719797927.db2.gz UFDUAQGWFUWXAR-AWEZNQCLSA-N 1 1 363.889 3.155 20 30 FGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(C#N)cn2)CC3)cs1 ZINC001164692723 719802965 /nfs/dbraw/zinc/80/29/65/719802965.db2.gz OXUVNLGKRRKAPB-UHFFFAOYSA-N 1 1 353.495 3.353 20 30 FGEDMO C=CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)[C@@H](C)COC ZINC000661249028 720215320 /nfs/dbraw/zinc/21/53/20/720215320.db2.gz XZWAMPPXLZPDCE-JXFKEZNVSA-N 1 1 358.507 3.477 20 30 FGEDMO C=CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)[C@@H](C)COC ZINC000661249028 720215326 /nfs/dbraw/zinc/21/53/26/720215326.db2.gz XZWAMPPXLZPDCE-JXFKEZNVSA-N 1 1 358.507 3.477 20 30 FGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000661379223 720238252 /nfs/dbraw/zinc/23/82/52/720238252.db2.gz VWHMNRMNTNEVMU-CYBMUJFWSA-N 1 1 351.376 3.469 20 30 FGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000661379223 720238256 /nfs/dbraw/zinc/23/82/56/720238256.db2.gz VWHMNRMNTNEVMU-CYBMUJFWSA-N 1 1 351.376 3.469 20 30 FGEDMO C=CCOCCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000661792624 720319873 /nfs/dbraw/zinc/31/98/73/720319873.db2.gz HRLSZLBZDKJFNL-NVXWUHKLSA-N 1 1 351.516 3.023 20 30 FGEDMO N#CCc1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)c1 ZINC001164723491 720466093 /nfs/dbraw/zinc/46/60/93/720466093.db2.gz CGTNGIBSYMKJOP-MSOLQXFVSA-N 1 1 353.857 3.049 20 30 FGEDMO N#CCc1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)c1 ZINC001164723491 720466097 /nfs/dbraw/zinc/46/60/97/720466097.db2.gz CGTNGIBSYMKJOP-MSOLQXFVSA-N 1 1 353.857 3.049 20 30 FGEDMO C=CCN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H](C)COC ZINC000663874027 720566064 /nfs/dbraw/zinc/56/60/64/720566064.db2.gz IISYIDGLPPGMNE-SJORKVTESA-N 1 1 365.543 3.193 20 30 FGEDMO C=CCC1(NC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CCCC1 ZINC000664140473 720598822 /nfs/dbraw/zinc/59/88/22/720598822.db2.gz BWKPLPXSIIJTEC-ZWKOTPCHSA-N 1 1 351.535 3.312 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(C#N)cc1Cl)[C@@H]2C ZINC001164853525 720926718 /nfs/dbraw/zinc/92/67/18/720926718.db2.gz BMWPLDIJKVJPND-CYBMUJFWSA-N 1 1 358.877 3.225 20 30 FGEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164767156 721281515 /nfs/dbraw/zinc/28/15/15/721281515.db2.gz GYSRGZNZPFESTI-UHFFFAOYSA-N 1 1 352.816 3.074 20 30 FGEDMO Cc1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc1C#N ZINC001164911401 721753258 /nfs/dbraw/zinc/75/32/58/721753258.db2.gz VHMNXGNUXGUENC-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO Cc1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc1C#N ZINC001164911401 721753264 /nfs/dbraw/zinc/75/32/64/721753264.db2.gz VHMNXGNUXGUENC-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1C#N ZINC001165028210 721809357 /nfs/dbraw/zinc/80/93/57/721809357.db2.gz WRBHQIAOXHDNBF-WMQCIHAUSA-N 1 1 361.493 3.394 20 30 FGEDMO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1C#N ZINC001165021647 721818147 /nfs/dbraw/zinc/81/81/47/721818147.db2.gz FQJMSIVYFBWPEA-CEWLAPEOSA-N 1 1 361.493 3.394 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000784355984 724846056 /nfs/dbraw/zinc/84/60/56/724846056.db2.gz UUDBVQQBUOGOLL-AWEZNQCLSA-N 1 1 351.372 3.057 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000726245636 722432464 /nfs/dbraw/zinc/43/24/64/722432464.db2.gz PXCAZOKOKBIPCO-MRXNPFEDSA-N 1 1 366.303 3.249 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000729811895 722462744 /nfs/dbraw/zinc/46/27/44/722462744.db2.gz FYIQAUFPGWDHET-SFHVURJKSA-N 1 1 361.869 3.029 20 30 FGEDMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000733267439 722494733 /nfs/dbraw/zinc/49/47/33/722494733.db2.gz XDXYDJMZIVYRRQ-HNNXBMFYSA-N 1 1 361.243 3.115 20 30 FGEDMO C=CC[C@@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccncc1 ZINC000734660591 722509083 /nfs/dbraw/zinc/50/90/83/722509083.db2.gz DBYLQOIZSRIUAA-QGZVFWFLSA-N 1 1 356.495 3.118 20 30 FGEDMO C=CC[C@@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccncc1 ZINC000734660591 722509084 /nfs/dbraw/zinc/50/90/84/722509084.db2.gz DBYLQOIZSRIUAA-QGZVFWFLSA-N 1 1 356.495 3.118 20 30 FGEDMO C#CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000735511978 722517095 /nfs/dbraw/zinc/51/70/95/722517095.db2.gz JGCYFOKRMPWPKO-GDBMZVCRSA-N 1 1 353.388 3.021 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000742060677 722551705 /nfs/dbraw/zinc/55/17/05/722551705.db2.gz UDLZKXPHIKKNLT-DLBZAZTESA-N 1 1 351.277 3.264 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=S)Nc2ccccc2C#N)C1 ZINC000743010585 722562659 /nfs/dbraw/zinc/56/26/59/722562659.db2.gz INUWBPJTMIRWNH-SFHVURJKSA-N 1 1 350.491 3.461 20 30 FGEDMO N#CCSc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746209044 722594986 /nfs/dbraw/zinc/59/49/86/722594986.db2.gz UCWKAOJFUSOCSD-MAUKXSAKSA-N 1 1 355.507 3.391 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCCN(C(=O)CC)CC1 ZINC000748066734 722674086 /nfs/dbraw/zinc/67/40/86/722674086.db2.gz KPKVGFLTNPVXGF-UHFFFAOYSA-N 1 1 358.511 3.216 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000749653238 722735869 /nfs/dbraw/zinc/73/58/69/722735869.db2.gz LCCANEPKEAOZTL-PFONDFGASA-N 1 1 350.384 3.276 20 30 FGEDMO C#CCOc1ccc(NC(=O)NCC[N@H+](CC)CCC(F)(F)F)cc1 ZINC000755266049 722951867 /nfs/dbraw/zinc/95/18/67/722951867.db2.gz RXSXNLBGVSSPMK-UHFFFAOYSA-N 1 1 357.376 3.094 20 30 FGEDMO COCCN(C)c1ccc(C=[NH+]Nc2ccc(Br)cc2)cn1 ZINC000790154707 723110240 /nfs/dbraw/zinc/11/02/40/723110240.db2.gz VDGGTKHOZQMTTJ-UHFFFAOYSA-N 1 1 363.259 3.373 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790492613 723146313 /nfs/dbraw/zinc/14/63/13/723146313.db2.gz ZHPPZUBJENIJIV-LSDHHAIUSA-N 1 1 352.400 3.294 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000790661669 723165452 /nfs/dbraw/zinc/16/54/52/723165452.db2.gz KOLOGKKTZKMXQN-RHSMWYFYSA-N 1 1 352.400 3.246 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000790661671 723165554 /nfs/dbraw/zinc/16/55/54/723165554.db2.gz KOLOGKKTZKMXQN-WMLDXEAASA-N 1 1 352.400 3.246 20 30 FGEDMO C[N@@H+](CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CCSC1 ZINC000764326742 723407322 /nfs/dbraw/zinc/40/73/22/723407322.db2.gz QYBDNTNWHOKKHM-MRXNPFEDSA-N 1 1 371.531 3.340 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cn3c4ccccc4oc3=S)C2)nc1 ZINC000793591768 723452309 /nfs/dbraw/zinc/45/23/09/723452309.db2.gz PXZQDGOCVMBSMG-CQSZACIVSA-N 1 1 352.419 3.341 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cn3c4ccccc4oc3=S)C2)nc1 ZINC000793591768 723452314 /nfs/dbraw/zinc/45/23/14/723452314.db2.gz PXZQDGOCVMBSMG-CQSZACIVSA-N 1 1 352.419 3.341 20 30 FGEDMO C#C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000775790979 724061715 /nfs/dbraw/zinc/06/17/15/724061715.db2.gz RPAZZJFBDKPZGR-KBPBESRZSA-N 1 1 360.763 3.068 20 30 FGEDMO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000801598239 724318577 /nfs/dbraw/zinc/31/85/77/724318577.db2.gz XHPDTUGCMWTHPJ-UXHICEINSA-N 1 1 355.869 3.256 20 30 FGEDMO CCCCCCCOc1cccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000785979043 724953164 /nfs/dbraw/zinc/95/31/64/724953164.db2.gz KVQRMLXLPMEVCT-LJQANCHMSA-N 1 1 368.543 3.289 20 30 FGEDMO CCCCCCCOc1cccc(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000785979043 724953165 /nfs/dbraw/zinc/95/31/65/724953165.db2.gz KVQRMLXLPMEVCT-LJQANCHMSA-N 1 1 368.543 3.289 20 30 FGEDMO CC[C@H](C[N@H+](C)CC(=O)NCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000787341088 725025616 /nfs/dbraw/zinc/02/56/16/725025616.db2.gz IMIQHPOJMSTONE-GFCCVEGCSA-N 1 1 358.269 3.112 20 30 FGEDMO CC[C@H](C[N@@H+](C)CC(=O)NCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000787341088 725025619 /nfs/dbraw/zinc/02/56/19/725025619.db2.gz IMIQHPOJMSTONE-GFCCVEGCSA-N 1 1 358.269 3.112 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000787460682 725029383 /nfs/dbraw/zinc/02/93/83/725029383.db2.gz CDZVAZZBIFCYIB-INIZCTEOSA-N 1 1 352.400 3.197 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000787460682 725029384 /nfs/dbraw/zinc/02/93/84/725029384.db2.gz CDZVAZZBIFCYIB-INIZCTEOSA-N 1 1 352.400 3.197 20 30 FGEDMO C#C[C@H](NC(=O)NCCCCn1cc[nH+]c1C)c1ccc(Cl)cc1F ZINC000805149575 725053318 /nfs/dbraw/zinc/05/33/18/725053318.db2.gz JHZVTRICSICDSX-KRWDZBQOSA-N 1 1 362.836 3.438 20 30 FGEDMO C#CC[N@H+](CCC[C@H](C)O)[C@H]1CCOc2ccc(Br)cc21 ZINC000789321978 725122097 /nfs/dbraw/zinc/12/20/97/725122097.db2.gz CJGJVCUABXGYJB-BBRMVZONSA-N 1 1 352.272 3.369 20 30 FGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)cc1 ZINC000809582695 725249770 /nfs/dbraw/zinc/24/97/70/725249770.db2.gz AXLQLVRGUVCPJA-QGZVFWFLSA-N 1 1 352.400 3.291 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000813067649 726835205 /nfs/dbraw/zinc/83/52/05/726835205.db2.gz QOQSXJQJUVEBMG-BBRMVZONSA-N 1 1 350.256 3.193 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000818593079 727315847 /nfs/dbraw/zinc/31/58/47/727315847.db2.gz LGBPSCCHOPXPBP-UHFFFAOYSA-N 1 1 373.547 3.429 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(Oc2ccccc2Cl)nc1 ZINC000818606604 727316401 /nfs/dbraw/zinc/31/64/01/727316401.db2.gz YZRVXFVYJLPSGE-UHFFFAOYSA-N 1 1 357.841 3.212 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CCC[N@@H+]2C)s1 ZINC000819280807 727363917 /nfs/dbraw/zinc/36/39/17/727363917.db2.gz NYPATWYJUIRTBJ-GFCCVEGCSA-N 1 1 359.948 3.049 20 30 FGEDMO C#C[C@H](NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccc(Cl)cc1F ZINC000820744822 729024819 /nfs/dbraw/zinc/02/48/19/729024819.db2.gz LIMZGQRYSJGDOH-DOPJRALCSA-N 1 1 363.864 3.279 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CCOCC1 ZINC000827565282 729431855 /nfs/dbraw/zinc/43/18/55/729431855.db2.gz KNMASUYBDYZLSJ-QGZVFWFLSA-N 1 1 365.264 3.092 20 30 FGEDMO C#CC1CC[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000830345564 729551738 /nfs/dbraw/zinc/55/17/38/729551738.db2.gz IUFWIWZLJHIGFI-UHFFFAOYSA-N 1 1 354.353 3.093 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(Cl)c1 ZINC000831576598 729652597 /nfs/dbraw/zinc/65/25/97/729652597.db2.gz IDKLERQKUINGOY-OCCSQVGLSA-N 1 1 371.790 3.054 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000836490376 729957569 /nfs/dbraw/zinc/95/75/69/729957569.db2.gz YBIPSLQBWFWGOY-UHFFFAOYSA-N 1 1 355.404 3.106 20 30 FGEDMO CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1C[N@@H+](CCCSCC#N)C2 ZINC000844360985 730707497 /nfs/dbraw/zinc/70/74/97/730707497.db2.gz SYEZLIXCLUFPIC-YJBOKZPZSA-N 1 1 353.532 3.260 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365665 730707906 /nfs/dbraw/zinc/70/79/06/730707906.db2.gz CVCZNLOAVVXXEP-ACJLOTCBSA-N 1 1 357.841 3.204 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365665 730707908 /nfs/dbraw/zinc/70/79/08/730707908.db2.gz CVCZNLOAVVXXEP-ACJLOTCBSA-N 1 1 357.841 3.204 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000844374036 730709578 /nfs/dbraw/zinc/70/95/78/730709578.db2.gz VBSDFTICCHEMRG-PMACEKPBSA-N 1 1 356.853 3.229 20 30 FGEDMO Cn1cc(-c2ccc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)s2)cn1 ZINC000846006655 730917748 /nfs/dbraw/zinc/91/77/48/730917748.db2.gz KGVJMINMNZANQL-SFHVURJKSA-N 1 1 352.463 3.186 20 30 FGEDMO C#C[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccc(Br)cc1 ZINC000846229510 730937992 /nfs/dbraw/zinc/93/79/92/730937992.db2.gz CHXSMLMLBKMSOW-YOEHRIQHSA-N 1 1 372.266 3.007 20 30 FGEDMO C#C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000847029574 731009223 /nfs/dbraw/zinc/00/92/23/731009223.db2.gz KSZMSHBVWJNVSA-CABCVRRESA-N 1 1 355.507 3.418 20 30 FGEDMO CCOP(=O)(OCC)[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000851738473 731489436 /nfs/dbraw/zinc/48/94/36/731489436.db2.gz HWWPFDVYPKCXGB-KRWDZBQOSA-N 1 1 352.371 3.107 20 30 FGEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856778403 732059018 /nfs/dbraw/zinc/05/90/18/732059018.db2.gz LCKXDUFCTJWINY-JTQLQIEISA-N 1 1 362.783 3.167 20 30 FGEDMO C[N@@H+]1CCC(N=Nc2cccnn2)C[C@H]1c1ccc(Br)cc1 ZINC000863093840 732914615 /nfs/dbraw/zinc/91/46/15/732914615.db2.gz CWKCVESWOCDXQH-HNNXBMFYSA-N 1 1 360.259 3.474 20 30 FGEDMO C[N@H+]1CCC(N=Nc2cccnn2)C[C@H]1c1ccc(Br)cc1 ZINC000863093840 732914617 /nfs/dbraw/zinc/91/46/17/732914617.db2.gz CWKCVESWOCDXQH-HNNXBMFYSA-N 1 1 360.259 3.474 20 30 FGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1 ZINC000872181888 735601907 /nfs/dbraw/zinc/60/19/07/735601907.db2.gz REHVGJOZHPOSFA-JTQLQIEISA-N 1 1 362.739 3.139 20 30 FGEDMO CN(C[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1)C(=O)OC(C)(C)C ZINC000876691003 736132180 /nfs/dbraw/zinc/13/21/80/736132180.db2.gz XQOFCRCZRKGYKT-ZDUSSCGKSA-N 1 1 364.877 3.295 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1)C(=O)OC(C)(C)C ZINC000876691003 736132184 /nfs/dbraw/zinc/13/21/84/736132184.db2.gz XQOFCRCZRKGYKT-ZDUSSCGKSA-N 1 1 364.877 3.295 20 30 FGEDMO CC(C)[N@@H+](Cc1cc(C#N)cnc1Cl)C[C@H](O)COc1ccccc1 ZINC000877480992 736225610 /nfs/dbraw/zinc/22/56/10/736225610.db2.gz QWYBLWPRZZNNGW-KRWDZBQOSA-N 1 1 359.857 3.257 20 30 FGEDMO CC(C)[N@H+](Cc1cc(C#N)cnc1Cl)C[C@H](O)COc1ccccc1 ZINC000877480992 736225615 /nfs/dbraw/zinc/22/56/15/736225615.db2.gz QWYBLWPRZZNNGW-KRWDZBQOSA-N 1 1 359.857 3.257 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000877983832 736752669 /nfs/dbraw/zinc/75/26/69/736752669.db2.gz URDBTQKGWUVWFD-CQSZACIVSA-N 1 1 367.243 3.167 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc2ccc(Cl)cc2n1 ZINC000878309677 736804226 /nfs/dbraw/zinc/80/42/26/736804226.db2.gz PCFBTNLWKBVUMS-UHFFFAOYSA-N 1 1 354.845 3.130 20 30 FGEDMO CC(C)(C)S(=O)(=O)CCC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000878962772 736939303 /nfs/dbraw/zinc/93/93/03/736939303.db2.gz XMEPUCZHAUTPQY-UHFFFAOYSA-N 1 1 363.527 3.038 20 30 FGEDMO N#Cc1ccc(C2CC[NH+](Cc3ncccc3Br)CC2)nc1 ZINC000879024617 736947429 /nfs/dbraw/zinc/94/74/29/736947429.db2.gz ZTGCDRATRVYJOP-UHFFFAOYSA-N 1 1 357.255 3.490 20 30 FGEDMO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H]1C(F)(F)F ZINC000880025978 737102154 /nfs/dbraw/zinc/10/21/54/737102154.db2.gz CTGCWDHGXKTULW-STQMWFEESA-N 1 1 361.408 3.315 20 30 FGEDMO COc1cc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)ccc1OC(F)F ZINC000885946636 739202125 /nfs/dbraw/zinc/20/21/25/739202125.db2.gz NFMUQAYVGYLHMD-AWEZNQCLSA-N 1 1 354.397 3.173 20 30 FGEDMO COc1cc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)c(SC)cc1OC ZINC000886019691 739209236 /nfs/dbraw/zinc/20/92/36/739209236.db2.gz ZQRHSNBPNNMYPR-HNNXBMFYSA-N 1 1 364.511 3.302 20 30 FGEDMO C[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000886279477 739238993 /nfs/dbraw/zinc/23/89/93/739238993.db2.gz ZRENQLXBWADIAU-DOMZBBRYSA-N 1 1 357.281 3.403 20 30 FGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000886279477 739238999 /nfs/dbraw/zinc/23/89/99/739238999.db2.gz ZRENQLXBWADIAU-DOMZBBRYSA-N 1 1 357.281 3.403 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886565904 739269227 /nfs/dbraw/zinc/26/92/27/739269227.db2.gz CDPRFHFVNIPFKB-SOUVJXGZSA-N 1 1 361.536 3.172 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886565904 739269230 /nfs/dbraw/zinc/26/92/30/739269230.db2.gz CDPRFHFVNIPFKB-SOUVJXGZSA-N 1 1 361.536 3.172 20 30 FGEDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n1 ZINC000886698835 739286899 /nfs/dbraw/zinc/28/68/99/739286899.db2.gz NXASMNUWOIUNTK-GJYPPUQNSA-N 1 1 362.543 3.149 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCC[N@@H+](CCOCCC#N)C2 ZINC000886890854 739312637 /nfs/dbraw/zinc/31/26/37/739312637.db2.gz WJOWZLWMNROPLN-LJQANCHMSA-N 1 1 351.491 3.030 20 30 FGEDMO C#CCC1(O)CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000895675024 742438965 /nfs/dbraw/zinc/43/89/65/742438965.db2.gz KGAMNJMUNNXMHF-UHFFFAOYSA-N 1 1 357.435 3.069 20 30 FGEDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cc(C#N)ccn1 ZINC000902817978 743777768 /nfs/dbraw/zinc/77/77/68/743777768.db2.gz HKLLFFXZMUXNBX-XJKSGUPXSA-N 1 1 354.841 3.453 20 30 FGEDMO CCCCCCN(O)C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000904207283 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FGEDMO COCC[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000077272619 494045610 /nfs/dbraw/zinc/04/56/10/494045610.db2.gz QGZIFBXSZYMWMF-UHFFFAOYSA-N 1 1 362.433 3.299 20 30 FGEDMO COc1cc(C#N)ccc1OCC[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000077271408 494045681 /nfs/dbraw/zinc/04/56/81/494045681.db2.gz ZOXBJCGHSZHYPD-UHFFFAOYSA-N 1 1 370.453 3.476 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)cs2)C[C@@H](C)O1 ZINC000084083705 494046944 /nfs/dbraw/zinc/04/69/44/494046944.db2.gz KBXVDDSVTJHGFX-HUUCEWRRSA-N 1 1 369.490 3.159 20 30 FGEDMO CN(C(=O)C[N@H+](CCc1ccccc1)[C@H]1CCOC1)C1(C#N)CCCCC1 ZINC000084133528 494049575 /nfs/dbraw/zinc/04/95/75/494049575.db2.gz HVAOUXVMYQLASS-FQEVSTJZSA-N 1 1 369.509 3.005 20 30 FGEDMO CN(C(=O)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1)C1(C#N)CCCCC1 ZINC000084133528 494049580 /nfs/dbraw/zinc/04/95/80/494049580.db2.gz HVAOUXVMYQLASS-FQEVSTJZSA-N 1 1 369.509 3.005 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)COCc1ccccc1F ZINC000063388219 494049843 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N#Cc1ccc(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1 ZINC000022878619 494540605 /nfs/dbraw/zinc/54/06/05/494540605.db2.gz ZDZCMPJMQFBEOB-UHFFFAOYSA-N 1 1 365.868 3.177 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnc(-c4ccccn4)s3)C2)nc1 ZINC000568584771 505728226 /nfs/dbraw/zinc/72/82/26/505728226.db2.gz ZWQMSBIZIMRSRO-HNNXBMFYSA-N 1 1 363.446 3.125 20 30 FGEDMO C=CC[N@@H+](C[C@@H](C)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361611 494605571 /nfs/dbraw/zinc/60/55/71/494605571.db2.gz WPCLFUCDSTVZJV-CZUORRHYSA-N 1 1 372.328 3.228 20 30 FGEDMO C=CC[N@H+](C[C@@H](C)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361611 494605575 /nfs/dbraw/zinc/60/55/75/494605575.db2.gz WPCLFUCDSTVZJV-CZUORRHYSA-N 1 1 372.328 3.228 20 30 FGEDMO COc1cc(C#N)ccc1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000121155851 494622082 /nfs/dbraw/zinc/62/20/82/494622082.db2.gz SDRJZEPOJXLOCW-UHFFFAOYSA-N 1 1 364.493 3.101 20 30 FGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000121155851 494622091 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CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000117442433 494919657 /nfs/dbraw/zinc/91/96/57/494919657.db2.gz ZCNRLQRKJRZBAL-INIZCTEOSA-N 1 1 358.486 3.062 20 30 FGEDMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000117442433 494919660 /nfs/dbraw/zinc/91/96/60/494919660.db2.gz ZCNRLQRKJRZBAL-INIZCTEOSA-N 1 1 358.486 3.062 20 30 FGEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000122123128 494927126 /nfs/dbraw/zinc/92/71/26/494927126.db2.gz HUBWTDOTZJONEA-ZBFHGGJFSA-N 1 1 359.495 3.318 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000574344172 505751210 /nfs/dbraw/zinc/75/12/10/505751210.db2.gz GSHCOBRPMQVLSU-CRAIPNDOSA-N 1 1 354.479 3.136 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c(C(F)(F)F)c1 ZINC000577567252 505753614 /nfs/dbraw/zinc/75/36/14/505753614.db2.gz XDHVFLNCVTVSNJ-UHFFFAOYSA-N 1 1 351.372 3.164 20 30 FGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000118395240 494999997 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20 30 FGEDMO COc1cccc(CNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000128239182 495065621 /nfs/dbraw/zinc/06/56/21/495065621.db2.gz NPFPWBXHXCDRER-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000101559114 495077464 /nfs/dbraw/zinc/07/74/64/495077464.db2.gz HIFOSODLWLKHIO-NRFANRHFSA-N 1 1 368.481 3.260 20 30 FGEDMO CC[N@@H+](CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C(C)C ZINC000111850649 495120823 /nfs/dbraw/zinc/12/08/23/495120823.db2.gz YMOMQCNZZMQFTG-UHFFFAOYSA-N 1 1 372.513 3.278 20 30 FGEDMO CCC[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(C#N)cc1 ZINC000119251694 495127048 /nfs/dbraw/zinc/12/70/48/495127048.db2.gz HJAKSAXYLRHNMS-UHFFFAOYSA-N 1 1 356.495 3.264 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@@H+](CCCO)Cc2cccc(Cl)c2)c1 ZINC000134279735 495128876 /nfs/dbraw/zinc/12/88/76/495128876.db2.gz QRRBGRFZJBUCIA-UHFFFAOYSA-N 1 1 357.841 3.035 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@H+](CCCO)Cc2cccc(Cl)c2)c1 ZINC000134279735 495128880 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20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000135261983 495270277 /nfs/dbraw/zinc/27/02/77/495270277.db2.gz QTMDMZIOPSNTNF-IBGZPJMESA-N 1 1 369.509 3.091 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000135261983 495270280 /nfs/dbraw/zinc/27/02/80/495270280.db2.gz QTMDMZIOPSNTNF-IBGZPJMESA-N 1 1 369.509 3.091 20 30 FGEDMO C=CCn1c(CCCc2ccccc2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000574436934 505772845 /nfs/dbraw/zinc/77/28/45/505772845.db2.gz SSHVHMZODPJAAB-FQEVSTJZSA-N 1 1 365.525 3.312 20 30 FGEDMO C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CC1 ZINC000104716577 495300393 /nfs/dbraw/zinc/30/03/93/495300393.db2.gz LMEDOGZGCPBXFO-INIZCTEOSA-N 1 1 367.493 3.191 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C#N)c1C ZINC000129849028 495304775 /nfs/dbraw/zinc/30/47/75/495304775.db2.gz DTXFCBSMIRRZKO-UHFFFAOYSA-N 1 1 350.422 3.489 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(C#N)c1C ZINC000129849028 495304778 /nfs/dbraw/zinc/30/47/78/495304778.db2.gz DTXFCBSMIRRZKO-UHFFFAOYSA-N 1 1 350.422 3.489 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000105359597 495358213 /nfs/dbraw/zinc/35/82/13/495358213.db2.gz WYFSNGIIDCTUKZ-GOSISDBHSA-N 1 1 369.509 3.399 20 30 FGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C12CCC2 ZINC000577695268 505776973 /nfs/dbraw/zinc/77/69/73/505776973.db2.gz DANBCHXQNNYSOO-HSALFYBXSA-N 1 1 367.493 3.333 20 30 FGEDMO C=CCNc1ncc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)s1 ZINC000136243854 495366786 /nfs/dbraw/zinc/36/67/86/495366786.db2.gz ZRJOCAHXRQJEMG-AWEZNQCLSA-N 1 1 360.483 3.209 20 30 FGEDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000114746019 495420647 /nfs/dbraw/zinc/42/06/47/495420647.db2.gz JMYBYKUKYZAHHD-KUHUBIRLSA-N 1 1 365.433 3.032 20 30 FGEDMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000106211362 495432400 /nfs/dbraw/zinc/43/24/00/495432400.db2.gz AYVWBVMSRFJHTG-MAUKXSAKSA-N 1 1 351.454 3.073 20 30 FGEDMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000106211362 495432402 /nfs/dbraw/zinc/43/24/02/495432402.db2.gz AYVWBVMSRFJHTG-MAUKXSAKSA-N 1 1 351.454 3.073 20 30 FGEDMO CCc1[nH+]ccn1[C@@H]1CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000106214083 495433244 /nfs/dbraw/zinc/43/32/44/495433244.db2.gz LKDQECOEBQXZGD-GOEBONIOSA-N 1 1 369.469 3.191 20 30 FGEDMO C=C(C)CN1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000106244910 495439794 /nfs/dbraw/zinc/43/97/94/495439794.db2.gz ZRZYOGRQSKVYSV-UHFFFAOYSA-N 1 1 355.385 3.326 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000120780612 495456129 /nfs/dbraw/zinc/45/61/29/495456129.db2.gz CQOGNBHTKUEEFH-UHFFFAOYSA-N 1 1 352.425 3.233 20 30 FGEDMO C[C@H](c1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1)[NH+]1CCOCC1 ZINC000106450168 495456729 /nfs/dbraw/zinc/45/67/29/495456729.db2.gz VJSBAVSFNUNZBQ-MRXNPFEDSA-N 1 1 364.449 3.002 20 30 FGEDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000130978177 495475259 /nfs/dbraw/zinc/47/52/59/495475259.db2.gz FCJPOYKOWOONDN-CPJLOUKISA-N 1 1 356.491 3.336 20 30 FGEDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115540060 495514548 /nfs/dbraw/zinc/51/45/48/495514548.db2.gz FBZIORCECALFRR-OAQYLSRUSA-N 1 1 374.444 3.304 20 30 FGEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115540060 495514551 /nfs/dbraw/zinc/51/45/51/495514551.db2.gz FBZIORCECALFRR-OAQYLSRUSA-N 1 1 374.444 3.304 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C[C@@H](C)O)C(C)C)c1C#N ZINC000107041068 495520605 /nfs/dbraw/zinc/52/06/05/495520605.db2.gz XKXYQQLQCNMKKQ-CQSZACIVSA-N 1 1 360.502 3.121 20 30 FGEDMO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H](C)O ZINC000107043684 495521010 /nfs/dbraw/zinc/52/10/10/495521010.db2.gz ALZQLGVHMJFCQR-AWEZNQCLSA-N 1 1 363.527 3.308 20 30 FGEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000158534530 495532393 /nfs/dbraw/zinc/53/23/93/495532393.db2.gz YDKMTESGALSWLE-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000158534530 495532398 /nfs/dbraw/zinc/53/23/98/495532398.db2.gz YDKMTESGALSWLE-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000158534678 495532682 /nfs/dbraw/zinc/53/26/82/495532682.db2.gz YDKMTESGALSWLE-INIZCTEOSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000158534678 495532690 /nfs/dbraw/zinc/53/26/90/495532690.db2.gz YDKMTESGALSWLE-INIZCTEOSA-N 1 1 352.413 3.252 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCOC3(CCC3)C2)sc2c1CCCCC2 ZINC000154233589 495552384 /nfs/dbraw/zinc/55/23/84/495552384.db2.gz SZRMFYKSJBPSFM-UHFFFAOYSA-N 1 1 373.522 3.472 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCOC3(CCC3)C2)sc2c1CCCCC2 ZINC000154233589 495552387 /nfs/dbraw/zinc/55/23/87/495552387.db2.gz SZRMFYKSJBPSFM-UHFFFAOYSA-N 1 1 373.522 3.472 20 30 FGEDMO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000185610384 495643117 /nfs/dbraw/zinc/64/31/17/495643117.db2.gz LDUHBJGOKOGUGU-QGZVFWFLSA-N 1 1 369.538 3.372 20 30 FGEDMO C=CCC[C@@H](NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000159116703 495663331 /nfs/dbraw/zinc/66/33/31/495663331.db2.gz NZEIYADAGXJINL-PZJWPPBQSA-N 1 1 372.557 3.267 20 30 FGEDMO C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000185664282 495668761 /nfs/dbraw/zinc/66/87/61/495668761.db2.gz VDNBFVPXQWSOBA-LPHOPBHVSA-N 1 1 357.498 3.394 20 30 FGEDMO COc1cccc2c1CC[N@@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000182701694 495669406 /nfs/dbraw/zinc/66/94/06/495669406.db2.gz OYPGHLJYZDTSLK-HXUWFJFHSA-N 1 1 361.445 3.121 20 30 FGEDMO COc1cccc2c1CC[N@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000182701694 495669410 /nfs/dbraw/zinc/66/94/10/495669410.db2.gz OYPGHLJYZDTSLK-HXUWFJFHSA-N 1 1 361.445 3.121 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+](CCCO)[C@H]2CCc3ccccc32)c(C#N)c1C ZINC000154609617 495671128 /nfs/dbraw/zinc/67/11/28/495671128.db2.gz JFNOFMHQLUBBSO-IBGZPJMESA-N 1 1 367.449 3.079 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+](CCCO)[C@H]2CCc3ccccc32)c(C#N)c1C ZINC000154609617 495671137 /nfs/dbraw/zinc/67/11/37/495671137.db2.gz JFNOFMHQLUBBSO-IBGZPJMESA-N 1 1 367.449 3.079 20 30 FGEDMO C=CCC[C@H](NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000185879816 495762000 /nfs/dbraw/zinc/76/20/00/495762000.db2.gz YTYHZPGTHGUINK-QUCCMNQESA-N 1 1 358.530 3.019 20 30 FGEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000179874222 495766303 /nfs/dbraw/zinc/76/63/03/495766303.db2.gz MTHUIEGPUHEJHN-HXUWFJFHSA-N 1 1 360.461 3.215 20 30 FGEDMO Cn1cc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c(-c2ccc(C#N)cc2)n1 ZINC000179884750 495769914 /nfs/dbraw/zinc/76/99/14/495769914.db2.gz FHCHVXCRQTVURY-LJQANCHMSA-N 1 1 374.444 3.231 20 30 FGEDMO C[N@@H+](CCNC(=O)Nc1cc(C#N)ccc1OC(F)F)Cc1ccccc1 ZINC000171231368 495780110 /nfs/dbraw/zinc/78/01/10/495780110.db2.gz IWOVHOFRLFNPLP-UHFFFAOYSA-N 1 1 374.391 3.413 20 30 FGEDMO CC[C@@H](NC(=O)C1(C#N)CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151396699 495827753 /nfs/dbraw/zinc/82/77/53/495827753.db2.gz VJQSQOBUAXNORE-WOJBJXKFSA-N 1 1 369.509 3.256 20 30 FGEDMO CC[C@@H](NC(=O)C1(C#N)CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151396699 495827759 /nfs/dbraw/zinc/82/77/59/495827759.db2.gz VJQSQOBUAXNORE-WOJBJXKFSA-N 1 1 369.509 3.256 20 30 FGEDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000160222809 495913085 /nfs/dbraw/zinc/91/30/85/495913085.db2.gz QCKWVPDWPXTAQY-QGZVFWFLSA-N 1 1 366.465 3.342 20 30 FGEDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000160222809 495913090 /nfs/dbraw/zinc/91/30/90/495913090.db2.gz QCKWVPDWPXTAQY-QGZVFWFLSA-N 1 1 366.465 3.342 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)cc1 ZINC000155311712 495915803 /nfs/dbraw/zinc/91/58/03/495915803.db2.gz CCTPBZOBVLCLLC-MRXNPFEDSA-N 1 1 370.497 3.083 20 30 FGEDMO COc1ccc([C@H]2CC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)cc1 ZINC000155318010 495918207 /nfs/dbraw/zinc/91/82/07/495918207.db2.gz PJUSNPKOVCIVMQ-INIZCTEOSA-N 1 1 355.463 3.446 20 30 FGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000177163684 495954387 /nfs/dbraw/zinc/95/43/87/495954387.db2.gz KZNLPGMPWZXEKO-SFHVURJKSA-N 1 1 366.427 3.101 20 30 FGEDMO FC(F)(F)c1ccc(C#CCN2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000177163684 495954392 /nfs/dbraw/zinc/95/43/92/495954392.db2.gz KZNLPGMPWZXEKO-SFHVURJKSA-N 1 1 366.427 3.101 20 30 FGEDMO Cc1noc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000171631738 495956518 /nfs/dbraw/zinc/95/65/18/495956518.db2.gz HWMCKVXZNDBTAC-CQSZACIVSA-N 1 1 373.844 3.111 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151831194 495961463 /nfs/dbraw/zinc/96/14/63/495961463.db2.gz YEKKXRSDUXAKNR-CABCVRRESA-N 1 1 359.451 3.129 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000180522324 496031478 /nfs/dbraw/zinc/03/14/78/496031478.db2.gz JUYCWQZPENZYNX-OALUTQOASA-N 1 1 355.482 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373.522 3.399 20 30 FGEDMO CO[C@]1(C)C[C@@H](NC(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1(C)C ZINC000330328528 498106472 /nfs/dbraw/zinc/10/64/72/498106472.db2.gz LTAHBDUCUMRHNU-TWFHAPMSSA-N 1 1 374.529 3.124 20 30 FGEDMO Cc1cccnc1OC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000572487053 505981313 /nfs/dbraw/zinc/98/13/13/505981313.db2.gz UNYNMBQDQCUONA-UHFFFAOYSA-N 1 1 352.394 3.213 20 30 FGEDMO CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000330362434 498119801 /nfs/dbraw/zinc/11/98/01/498119801.db2.gz ZNJHDNQDHZAAGK-NZKYLMMGSA-N 1 1 362.518 3.304 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000296626705 498127074 /nfs/dbraw/zinc/12/70/74/498127074.db2.gz WVCCGXPSGRINQO-HNNXBMFYSA-N 1 1 350.422 3.424 20 30 FGEDMO COc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc(OC)c1 ZINC000301483940 498129783 /nfs/dbraw/zinc/12/97/83/498129783.db2.gz UWLFLYCFVCJQME-UHFFFAOYSA-N 1 1 355.413 3.037 20 30 FGEDMO 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FIUVYTDDBYZUDQ-ONUXSRJRSA-N 1 1 365.477 3.192 20 30 FGEDMO C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000293541489 498408643 /nfs/dbraw/zinc/40/86/43/498408643.db2.gz ZSSSXHNYKLTQSD-UHFFFAOYSA-N 1 1 351.878 3.059 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(CC#N)cc3)[C@@H](C)C2)s1 ZINC000362167439 498471577 /nfs/dbraw/zinc/47/15/77/498471577.db2.gz VJAJLKJYGDMTRP-IFXJQAMLSA-N 1 1 368.506 3.158 20 30 FGEDMO CC(C)(C#N)c1ccc(NC(=O)N2CCC[N@H+](C3CCOCC3)CC2)cc1 ZINC000365481274 498489437 /nfs/dbraw/zinc/48/94/37/498489437.db2.gz AVLFCEWQLICTPO-UHFFFAOYSA-N 1 1 370.497 3.206 20 30 FGEDMO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)c1Cl ZINC000365498803 498499986 /nfs/dbraw/zinc/49/99/86/498499986.db2.gz YYMLBGWUAFFRSK-MRXNPFEDSA-N 1 1 358.804 3.031 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)COc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000365541977 498523439 /nfs/dbraw/zinc/52/34/39/498523439.db2.gz YDCWBRUULXKXHJ-UZLBHIALSA-N 1 1 369.490 3.198 20 30 FGEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302685653 498532048 /nfs/dbraw/zinc/53/20/48/498532048.db2.gz TXAPFVUIEXGWEH-GDBMZVCRSA-N 1 1 351.410 3.078 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000332032354 498539680 /nfs/dbraw/zinc/53/96/80/498539680.db2.gz ZBTZYOTYWCTWNE-LMDPOFIKSA-N 1 1 354.498 3.232 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000332032354 498539689 /nfs/dbraw/zinc/53/96/89/498539689.db2.gz ZBTZYOTYWCTWNE-LMDPOFIKSA-N 1 1 354.498 3.232 20 30 FGEDMO C[C@@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000290464717 498562059 /nfs/dbraw/zinc/56/20/59/498562059.db2.gz WRMAXEINXIBZHJ-QGZVFWFLSA-N 1 1 368.481 3.165 20 30 FGEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000302782002 498571350 /nfs/dbraw/zinc/57/13/50/498571350.db2.gz JXXVKIRZUHPVEL-AWEZNQCLSA-N 1 1 354.385 3.489 20 30 FGEDMO C#CCO[C@H](C)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000297815178 498576127 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C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000303459416 498676731 /nfs/dbraw/zinc/67/67/31/498676731.db2.gz LAOXVEOTIUYECG-HXUWFJFHSA-N 1 1 365.477 3.450 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000303459416 498676732 /nfs/dbraw/zinc/67/67/32/498676732.db2.gz LAOXVEOTIUYECG-HXUWFJFHSA-N 1 1 365.477 3.450 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)s1 ZINC000332501246 498705893 /nfs/dbraw/zinc/70/58/93/498705893.db2.gz IWMUPJUXPZTLIJ-UHFFFAOYSA-N 1 1 354.479 3.482 20 30 FGEDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000332598289 498737150 /nfs/dbraw/zinc/73/71/50/498737150.db2.gz IJZYUFMDTFJILG-FZMZJTMJSA-N 1 1 363.259 3.021 20 30 FGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000579055126 506083074 /nfs/dbraw/zinc/08/30/74/506083074.db2.gz KNRSGRDIHBRPJF-FQEVSTJZSA-N 1 1 358.869 3.264 20 30 FGEDMO C[C@H]1[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000311721795 498753914 /nfs/dbraw/zinc/75/39/14/498753914.db2.gz POVLLHYXDCJWRA-SCLBCKFNSA-N 1 1 355.388 3.229 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000363341064 498770306 /nfs/dbraw/zinc/77/03/06/498770306.db2.gz DMMGLZHFPMSFEB-FUHWJXTLSA-N 1 1 366.465 3.172 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCCC[C@H](CO)C2)c1 ZINC000363346910 498773897 /nfs/dbraw/zinc/77/38/97/498773897.db2.gz ABLFRZCXNOOKHX-OALUTQOASA-N 1 1 357.498 3.033 20 30 FGEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[C@@H](C)C1 ZINC000570101827 506091115 /nfs/dbraw/zinc/09/11/15/506091115.db2.gz BNJFRFUNGVFKMH-DOXZYTNZSA-N 1 1 357.473 3.164 20 30 FGEDMO N#Cc1cc(Br)cnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000324245689 498826409 /nfs/dbraw/zinc/82/64/09/498826409.db2.gz HHSCZOZZPJSGCD-UHFFFAOYSA-N 1 1 371.282 3.428 20 30 FGEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000298628533 498832431 /nfs/dbraw/zinc/83/24/31/498832431.db2.gz VPGPLPUTLNTWCK-GOSISDBHSA-N 1 1 351.454 3.330 20 30 FGEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000298628533 498832436 /nfs/dbraw/zinc/83/24/36/498832436.db2.gz VPGPLPUTLNTWCK-GOSISDBHSA-N 1 1 351.454 3.330 20 30 FGEDMO CO[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1(C)C ZINC000294928358 498852761 /nfs/dbraw/zinc/85/27/61/498852761.db2.gz GBZNRARXUMAFLJ-SFHVURJKSA-N 1 1 353.470 3.106 20 30 FGEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](CO)c1ccccc1 ZINC000295071643 498899945 /nfs/dbraw/zinc/89/99/45/498899945.db2.gz PICLQGUJYSAMJD-HXUWFJFHSA-N 1 1 361.449 3.024 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000333112196 498902688 /nfs/dbraw/zinc/90/26/88/498902688.db2.gz XTMMRJQWQCULSZ-USWSCHJFSA-N 1 1 354.498 3.136 20 30 FGEDMO Cc1ccc2c(c1)nc(CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)n2C ZINC000328712894 498911517 /nfs/dbraw/zinc/91/15/17/498911517.db2.gz RVIQRFHJDRBNLB-MRXNPFEDSA-N 1 1 357.502 3.006 20 30 FGEDMO Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@H+](C)C3CCCCC3)CC2)o1 ZINC000328714761 498911611 /nfs/dbraw/zinc/91/16/11/498911611.db2.gz SNUXROZIOTXIPP-UHFFFAOYSA-N 1 1 373.501 3.292 20 30 FGEDMO Cc1cccc(NC2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000363639485 498918830 /nfs/dbraw/zinc/91/88/30/498918830.db2.gz OYITXYMNQNXUHT-UHFFFAOYSA-N 1 1 366.490 3.457 20 30 FGEDMO Cc1csc([C@H]([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C2CC2)n1 ZINC000298938632 498921189 /nfs/dbraw/zinc/92/11/89/498921189.db2.gz ODNUHELMQKQSKU-IAGOWNOFSA-N 1 1 352.463 3.169 20 30 FGEDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCCC(=O)N3)CC[N@H+]2C2CC2)c1 ZINC000328770268 498932657 /nfs/dbraw/zinc/93/26/57/498932657.db2.gz CLYFSTXDJJOVDO-ZHALLVOQSA-N 1 1 357.454 3.439 20 30 FGEDMO CSc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000299051929 498951978 /nfs/dbraw/zinc/95/19/78/498951978.db2.gz KDRKYJNMOWQUPK-UHFFFAOYSA-N 1 1 366.490 3.023 20 30 FGEDMO CSc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000299051929 498951987 /nfs/dbraw/zinc/95/19/87/498951987.db2.gz KDRKYJNMOWQUPK-UHFFFAOYSA-N 1 1 366.490 3.023 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000328853969 498961847 /nfs/dbraw/zinc/96/18/47/498961847.db2.gz SRWBNQHYAPJTEH-GDBMZVCRSA-N 1 1 360.454 3.183 20 30 FGEDMO C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328876782 498970886 /nfs/dbraw/zinc/97/08/86/498970886.db2.gz ZWVFOVWXGMSFNL-QAPCUYQASA-N 1 1 359.470 3.194 20 30 FGEDMO O=C(C[N@H+]1CCC[C@H]1C1CCC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000328906423 498980545 /nfs/dbraw/zinc/98/05/45/498980545.db2.gz BMJKKOBMNVOKAD-HNNXBMFYSA-N 1 1 359.426 3.224 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C3CC3)C3(C#N)CCC3)cc2)C[C@@H](C)O1 ZINC000328911408 498983202 /nfs/dbraw/zinc/98/32/02/498983202.db2.gz OEROKFDUXDCHGI-IAGOWNOFSA-N 1 1 367.493 3.347 20 30 FGEDMO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000328923652 498986746 /nfs/dbraw/zinc/98/67/46/498986746.db2.gz NFPFIEIUGPTZJM-VHKYSDTDSA-N 1 1 354.498 3.270 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000328926550 498987305 /nfs/dbraw/zinc/98/73/05/498987305.db2.gz FHYJVOBVXOHZGG-RCCFBDPRSA-N 1 1 364.534 3.242 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000328946303 498994702 /nfs/dbraw/zinc/99/47/02/498994702.db2.gz GNLFBYBBPIAUHO-YQVWRLOYSA-N 1 1 362.518 3.212 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000328976879 499004160 /nfs/dbraw/zinc/00/41/60/499004160.db2.gz BWBSINXUVLOIPH-FUHIMQAGSA-N 1 1 361.534 3.024 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000328976879 499004167 /nfs/dbraw/zinc/00/41/67/499004167.db2.gz BWBSINXUVLOIPH-FUHIMQAGSA-N 1 1 361.534 3.024 20 30 FGEDMO C#CCCOc1ccc(CNCc2ccncc2OCCC[NH+](C)C)cc1 ZINC000288432188 499023629 /nfs/dbraw/zinc/02/36/29/499023629.db2.gz BRLPUFZVHDHUDJ-UHFFFAOYSA-N 1 1 367.493 3.104 20 30 FGEDMO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000295459582 499024624 /nfs/dbraw/zinc/02/46/24/499024624.db2.gz FKZBAZUFCBMVLH-FUHWJXTLSA-N 1 1 354.450 3.207 20 30 FGEDMO CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H]2CCC(=O)c3ccccc32)CC1 ZINC000329074692 499034555 /nfs/dbraw/zinc/03/45/55/499034555.db2.gz ABHUAZQVGVRIEY-GOSISDBHSA-N 1 1 357.498 3.119 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000329077211 499035201 /nfs/dbraw/zinc/03/52/01/499035201.db2.gz PZOZXKXPWQKDOE-UJNZZBMASA-N 1 1 361.461 3.032 20 30 FGEDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000329124940 499050500 /nfs/dbraw/zinc/05/05/00/499050500.db2.gz XTMOHRYYGIQXBJ-HOCLYGCPSA-N 1 1 369.494 3.342 20 30 FGEDMO CO[C@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000329140562 499053371 /nfs/dbraw/zinc/05/33/71/499053371.db2.gz FYDYUUBFZRICPK-XYPHTWIQSA-N 1 1 360.458 3.071 20 30 FGEDMO CSc1cc2c(cc1NC(=O)C[N@H+](C)[C@H]1CCSC1)OCCO2 ZINC000329143989 499054396 /nfs/dbraw/zinc/05/43/96/499054396.db2.gz VZMKXCYEFDLXMB-NSHDSACASA-N 1 1 354.497 3.205 20 30 FGEDMO CSc1cc2c(cc1NC(=O)C[N@@H+](C)[C@H]1CCSC1)OCCO2 ZINC000329143989 499054399 /nfs/dbraw/zinc/05/43/99/499054399.db2.gz VZMKXCYEFDLXMB-NSHDSACASA-N 1 1 354.497 3.205 20 30 FGEDMO N#Cc1ccc(CN2CCC([NH2+][C@@H]3COc4cccc(F)c43)CC2)cc1 ZINC000366775860 499068656 /nfs/dbraw/zinc/06/86/56/499068656.db2.gz IIWPFJICNKUHKN-LJQANCHMSA-N 1 1 351.425 3.385 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000329255709 499084600 /nfs/dbraw/zinc/08/46/00/499084600.db2.gz BJMORQMSSJCPSE-AZUAARDMSA-N 1 1 371.525 3.494 20 30 FGEDMO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cnc1N1CCCC[C@@H]1C ZINC000329262983 499086541 /nfs/dbraw/zinc/08/65/41/499086541.db2.gz BJBOPBABORRUGL-UHOSZYNNSA-N 1 1 371.529 3.483 20 30 FGEDMO Cc1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000329285098 499091872 /nfs/dbraw/zinc/09/18/72/499091872.db2.gz OGOGBJCBGVWABP-ZACQAIPSSA-N 1 1 361.486 3.123 20 30 FGEDMO Cc1c[nH+]cn1C1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000329315203 499097044 /nfs/dbraw/zinc/09/70/44/499097044.db2.gz CRRSECTUKHGAJI-UHFFFAOYSA-N 1 1 358.486 3.280 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291918824 499103062 /nfs/dbraw/zinc/10/30/62/499103062.db2.gz SEPPUAPUXAXBQQ-IBGZPJMESA-N 1 1 371.278 3.457 20 30 FGEDMO C[C@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)C1=CC[N@@H+](C)CC1 ZINC000329355576 499107306 /nfs/dbraw/zinc/10/73/06/499107306.db2.gz VUGFCSQUWFKPNU-PXNSSMCTSA-N 1 1 369.509 3.075 20 30 FGEDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)C1CCCC1 ZINC000329369176 499110371 /nfs/dbraw/zinc/11/03/71/499110371.db2.gz AJIKGGWVNHQSPM-WDSOQIARSA-N 1 1 371.529 3.445 20 30 FGEDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1)c1ccccc1 ZINC000329378841 499112452 /nfs/dbraw/zinc/11/24/52/499112452.db2.gz MSBXNHZXUNMMAZ-WBVHZDCISA-N 1 1 354.454 3.262 20 30 FGEDMO C=CCN(C(=O)c1cn(C(C)C)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366950835 499121151 /nfs/dbraw/zinc/12/11/51/499121151.db2.gz HEJJKLUSMKKIHT-IBGZPJMESA-N 1 1 352.482 3.367 20 30 FGEDMO C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1nncn1C ZINC000329449148 499122607 /nfs/dbraw/zinc/12/26/07/499122607.db2.gz MMTUMZKLCAUOBM-DZGCQCFKSA-N 1 1 356.474 3.339 20 30 FGEDMO O=C(NC1CCN(C(=O)C2CC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000329446488 499122691 /nfs/dbraw/zinc/12/26/91/499122691.db2.gz BOZOVDYYMTYRCK-FQEVSTJZSA-N 1 1 369.509 3.399 20 30 FGEDMO O=C(NC1CCN(C(=O)C2CC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000329446491 499122864 /nfs/dbraw/zinc/12/28/64/499122864.db2.gz BOZOVDYYMTYRCK-HXUWFJFHSA-N 1 1 369.509 3.399 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000364167999 499126899 /nfs/dbraw/zinc/12/68/99/499126899.db2.gz FAGVMMQKUUGDIM-UXHICEINSA-N 1 1 363.436 3.291 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000364167999 499126900 /nfs/dbraw/zinc/12/69/00/499126900.db2.gz FAGVMMQKUUGDIM-UXHICEINSA-N 1 1 363.436 3.291 20 30 FGEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329519688 499128903 /nfs/dbraw/zinc/12/89/03/499128903.db2.gz ZULUJXVSGNTSNP-ZMSDIMECSA-N 1 1 352.523 3.144 20 30 FGEDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@]3(C)CCCOC3)C2)cc(OC)c1 ZINC000329524191 499129036 /nfs/dbraw/zinc/12/90/36/499129036.db2.gz SBNFBGYMKOMFGQ-JXFKEZNVSA-N 1 1 362.470 3.051 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@]3(C)CCCOC3)C2)cc(OC)c1 ZINC000329524191 499129037 /nfs/dbraw/zinc/12/90/37/499129037.db2.gz SBNFBGYMKOMFGQ-JXFKEZNVSA-N 1 1 362.470 3.051 20 30 FGEDMO CCCCCCCS(=O)(=O)N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367031150 499136530 /nfs/dbraw/zinc/13/65/30/499136530.db2.gz SHXCOKWEPLWCHD-UHFFFAOYSA-N 1 1 367.559 3.278 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367054962 499140829 /nfs/dbraw/zinc/14/08/29/499140829.db2.gz MGCNJDHAVGQLHJ-NQIIRXRSSA-N 1 1 355.482 3.133 20 30 FGEDMO N#Cc1ccccc1N1CCC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccncc2)C1 ZINC000372754296 499170647 /nfs/dbraw/zinc/17/06/47/499170647.db2.gz XJQXGJKAXNWCQF-AZUAARDMSA-N 1 1 358.449 3.024 20 30 FGEDMO CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000372771188 499173210 /nfs/dbraw/zinc/17/32/10/499173210.db2.gz YTFQZQOAHUAMIS-QUCCMNQESA-N 1 1 351.450 3.092 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccco1 ZINC000372842368 499183068 /nfs/dbraw/zinc/18/30/68/499183068.db2.gz PBWCGHMAMIGRGO-IBGZPJMESA-N 1 1 364.449 3.253 20 30 FGEDMO C#CCOc1ccc(F)cc1NC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000367628166 499219335 /nfs/dbraw/zinc/21/93/35/499219335.db2.gz FNGQNEXWKOIUIL-UHFFFAOYSA-N 1 1 356.401 3.001 20 30 FGEDMO C=CCC[C@@H](NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1)c1ccccc1 ZINC000370427214 499219687 /nfs/dbraw/zinc/21/96/87/499219687.db2.gz CKBIPJFFPJUJLO-LJQANCHMSA-N 1 1 359.514 3.182 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000367741274 499230026 /nfs/dbraw/zinc/23/00/26/499230026.db2.gz QAONDHWVSJAFJN-GOSISDBHSA-N 1 1 361.534 3.426 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000367741274 499230027 /nfs/dbraw/zinc/23/00/27/499230027.db2.gz QAONDHWVSJAFJN-GOSISDBHSA-N 1 1 361.534 3.426 20 30 FGEDMO C=CCN(C(=O)c1cncc(Cl)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000370648556 499239724 /nfs/dbraw/zinc/23/97/24/499239724.db2.gz RQWJKRSLRKTCTQ-INIZCTEOSA-N 1 1 356.857 3.033 20 30 FGEDMO N#C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000368123353 499266904 /nfs/dbraw/zinc/26/69/04/499266904.db2.gz WKFNLVMKXRKWIW-QRWLVFNGSA-N 1 1 353.372 3.470 20 30 FGEDMO N#C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@]12C(=O)Nc1ccccc12 ZINC000368123353 499266905 /nfs/dbraw/zinc/26/69/05/499266905.db2.gz WKFNLVMKXRKWIW-QRWLVFNGSA-N 1 1 353.372 3.470 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000582136263 506141820 /nfs/dbraw/zinc/14/18/20/506141820.db2.gz GSOVEUFFRBNOQA-PMACEKPBSA-N 1 1 360.461 3.292 20 30 FGEDMO C#CCCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)cc1 ZINC000371422809 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FGEDMO N#Cc1ncn(C2CC[NH+](Cc3ccc(OC(F)F)c(Cl)c3)CC2)n1 ZINC000373483439 499472571 /nfs/dbraw/zinc/47/25/71/499472571.db2.gz VFXNLEDSPZEZOB-UHFFFAOYSA-N 1 1 367.787 3.242 20 30 FGEDMO C=CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000375310893 499505862 /nfs/dbraw/zinc/50/58/62/499505862.db2.gz UBKNGECJYMMUFW-HLAWJBBLSA-N 1 1 366.509 3.279 20 30 FGEDMO N#Cc1c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)cn2ccccc12 ZINC000378388861 499510869 /nfs/dbraw/zinc/51/08/69/499510869.db2.gz PNAXYXNHECSNCQ-LJQANCHMSA-N 1 1 362.477 3.035 20 30 FGEDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000375404866 499514653 /nfs/dbraw/zinc/51/46/53/499514653.db2.gz PAQCHMAFKLIPIS-GUYCJALGSA-N 1 1 362.836 3.030 20 30 FGEDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000375404866 499514655 /nfs/dbraw/zinc/51/46/55/499514655.db2.gz PAQCHMAFKLIPIS-GUYCJALGSA-N 1 1 362.836 3.030 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@](C)(O)CC2)c1 ZINC000375918588 499568528 /nfs/dbraw/zinc/56/85/28/499568528.db2.gz GZZLVQSMBXUJCW-NQIIRXRSSA-N 1 1 357.498 3.176 20 30 FGEDMO N#C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@@]12c1ccccc1NC2=O ZINC000375964735 499572184 /nfs/dbraw/zinc/57/21/84/499572184.db2.gz YGLAFOIZVCPTSK-VGSWGCGISA-N 1 1 354.413 3.080 20 30 FGEDMO N#C[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@]12c1ccccc1NC2=O ZINC000375964735 499572185 /nfs/dbraw/zinc/57/21/85/499572185.db2.gz YGLAFOIZVCPTSK-VGSWGCGISA-N 1 1 354.413 3.080 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000376053706 499579179 /nfs/dbraw/zinc/57/91/79/499579179.db2.gz FGDNLZLAMRNHHM-KXBFYZLASA-N 1 1 367.428 3.249 20 30 FGEDMO N#Cc1ccc(Cl)c(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000376062504 499579904 /nfs/dbraw/zinc/57/99/04/499579904.db2.gz SIQDLZSCBPNEHB-DZFIZOCASA-N 1 1 351.837 3.072 20 30 FGEDMO N#Cc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1C(F)(F)F ZINC000408417721 499587786 /nfs/dbraw/zinc/58/77/86/499587786.db2.gz SLVODNXLPMYLOR-AWEZNQCLSA-N 1 1 352.360 3.279 20 30 FGEDMO Cc1cccc(NC2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000376754779 499633558 /nfs/dbraw/zinc/63/35/58/499633558.db2.gz TYZSRAOAMRWXGB-IBGZPJMESA-N 1 1 373.460 3.047 20 30 FGEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)C1=O ZINC000410385105 499659317 /nfs/dbraw/zinc/65/93/17/499659317.db2.gz VLYCQVLLLUDKIY-YJBOKZPZSA-N 1 1 362.901 3.390 20 30 FGEDMO CCN(C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1)CC(F)(F)F ZINC000410395739 499659999 /nfs/dbraw/zinc/65/99/99/499659999.db2.gz RHZOZICDGNSCNS-INIZCTEOSA-N 1 1 361.452 3.293 20 30 FGEDMO C=CCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000576434881 506156915 /nfs/dbraw/zinc/15/69/15/506156915.db2.gz QMBBUYFNSRZBRT-CVEARBPZSA-N 1 1 373.476 3.101 20 30 FGEDMO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000377937613 499749657 /nfs/dbraw/zinc/74/96/57/499749657.db2.gz KIAHFORBHJKODY-GHTZIAJQSA-N 1 1 352.503 3.471 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000378168276 499761856 /nfs/dbraw/zinc/76/18/56/499761856.db2.gz LBZSURZDMSBWNY-UHFFFAOYSA-N 1 1 351.450 3.429 20 30 FGEDMO C=CCn1c(CC2CC2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414533201 499804085 /nfs/dbraw/zinc/80/40/85/499804085.db2.gz VOWWHQNAXLTTIZ-QGZVFWFLSA-N 1 1 351.498 3.127 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1OC ZINC000414550039 499807034 /nfs/dbraw/zinc/80/70/34/499807034.db2.gz MKTDESJMJKZGTQ-GOSISDBHSA-N 1 1 358.482 3.237 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccccc3)[C@@H](CO)C3CC3)o2)c1 ZINC000579380110 506160834 /nfs/dbraw/zinc/16/08/34/506160834.db2.gz FLRSVTQVDQQZFI-FQEVSTJZSA-N 1 1 374.444 3.381 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccccc3)[C@@H](CO)C3CC3)o2)c1 ZINC000579380110 506160837 /nfs/dbraw/zinc/16/08/37/506160837.db2.gz FLRSVTQVDQQZFI-FQEVSTJZSA-N 1 1 374.444 3.381 20 30 FGEDMO C=CCOc1c(Br)cc(CNC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414825799 499835013 /nfs/dbraw/zinc/83/50/13/499835013.db2.gz HSUMSFJYRNHPPH-CYBMUJFWSA-N 1 1 369.303 3.112 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNc3ncc(C#N)cc3F)cc2)C[C@H](C)O1 ZINC000413092656 499912738 /nfs/dbraw/zinc/91/27/38/499912738.db2.gz MJFPSRITKWRZNO-GASCZTMLSA-N 1 1 354.429 3.314 20 30 FGEDMO C[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413121988 499916484 /nfs/dbraw/zinc/91/64/84/499916484.db2.gz XQEKAKODSQKUIA-OQMKEHIESA-N 1 1 364.287 3.391 20 30 FGEDMO Cc1cc(NCC2(N3CCCCC3)CC[NH+](C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413181745 499923494 /nfs/dbraw/zinc/92/34/94/499923494.db2.gz WUNJEQHDUOYNKE-UHFFFAOYSA-N 1 1 371.485 3.137 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)cc1F ZINC000429022622 499985541 /nfs/dbraw/zinc/98/55/41/499985541.db2.gz UAAHLSODIIHJQA-INIZCTEOSA-N 1 1 367.193 3.422 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429143678 500012186 /nfs/dbraw/zinc/01/21/86/500012186.db2.gz RLSAZKCDEZETMC-INIZCTEOSA-N 1 1 351.903 3.269 20 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ZINC000425346948 500080559 /nfs/dbraw/zinc/08/05/59/500080559.db2.gz JZUAGZWFHCHKBX-DLBZAZTESA-N 1 1 374.362 3.364 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1c1ccc(F)cc1F ZINC000425346948 500080561 /nfs/dbraw/zinc/08/05/61/500080561.db2.gz JZUAGZWFHCHKBX-DLBZAZTESA-N 1 1 374.362 3.364 20 30 FGEDMO CC(C)C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)[NH+]1CCOCC1 ZINC000425399168 500093973 /nfs/dbraw/zinc/09/39/73/500093973.db2.gz OPSYSLDRHVCRSC-YLJYHZDGSA-N 1 1 372.513 3.008 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000425418633 500099101 /nfs/dbraw/zinc/09/91/01/500099101.db2.gz OMNNLJOZUIQMJK-HNNXBMFYSA-N 1 1 368.506 3.380 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000425418633 500099105 /nfs/dbraw/zinc/09/91/05/500099105.db2.gz OMNNLJOZUIQMJK-HNNXBMFYSA-N 1 1 368.506 3.380 20 30 FGEDMO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(C#N)cc1Br ZINC000429550824 500099761 /nfs/dbraw/zinc/09/97/61/500099761.db2.gz YXNCAHZMIJQGFE-UHFFFAOYSA-N 1 1 364.287 3.059 20 30 FGEDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(C#N)cc1Br ZINC000429550824 500099765 /nfs/dbraw/zinc/09/97/65/500099765.db2.gz YXNCAHZMIJQGFE-UHFFFAOYSA-N 1 1 364.287 3.059 20 30 FGEDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1cc(C#N)ccc1Br ZINC000429556279 500101557 /nfs/dbraw/zinc/10/15/57/500101557.db2.gz OTOFULKYDAQAQR-UHFFFAOYSA-N 1 1 364.287 3.059 20 30 FGEDMO C[N@H+](CCCNC(=O)C1CCC1)Cc1cc(C#N)ccc1Br ZINC000429556279 500101552 /nfs/dbraw/zinc/10/15/52/500101552.db2.gz OTOFULKYDAQAQR-UHFFFAOYSA-N 1 1 364.287 3.059 20 30 FGEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000421702783 500121480 /nfs/dbraw/zinc/12/14/80/500121480.db2.gz KSLZODDHMKXLJE-FQEVSTJZSA-N 1 1 363.461 3.303 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](CCCCC#N)C[C@H]1c1ccc(Br)cc1 ZINC000425523765 500132362 /nfs/dbraw/zinc/13/23/62/500132362.db2.gz ZYNXXTQDWYJPJD-JKSUJKDBSA-N 1 1 365.271 3.331 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000425540155 500137889 /nfs/dbraw/zinc/13/78/89/500137889.db2.gz UZMCOWZBMILUHJ-OAHLLOKOSA-N 1 1 373.478 3.129 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000425540155 500137894 /nfs/dbraw/zinc/13/78/94/500137894.db2.gz UZMCOWZBMILUHJ-OAHLLOKOSA-N 1 1 373.478 3.129 20 30 FGEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C#N)o1 ZINC000429898980 500164146 /nfs/dbraw/zinc/16/41/46/500164146.db2.gz XTUKHOGKFGAIBU-LJQANCHMSA-N 1 1 351.450 3.354 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000425633261 500165187 /nfs/dbraw/zinc/16/51/87/500165187.db2.gz AQBCQIAYDMSBOJ-ZACQAIPSSA-N 1 1 372.513 3.148 20 30 FGEDMO C=CC[C@@H](C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000422019324 500199095 /nfs/dbraw/zinc/19/90/95/500199095.db2.gz LLXDXZUVBVOGGI-JOCHJYFZSA-N 1 1 369.553 3.365 20 30 FGEDMO C=CC[C@@H](C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000422019324 500199096 /nfs/dbraw/zinc/19/90/96/500199096.db2.gz 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N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(O)ccc3Cl)CC2)cc1 ZINC000431619399 500399667 /nfs/dbraw/zinc/39/96/67/500399667.db2.gz GNRHBNOCAPAQFP-UHFFFAOYSA-N 1 1 369.852 3.265 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(O)ccc3Cl)CC2)cc1 ZINC000431619399 500399670 /nfs/dbraw/zinc/39/96/70/500399670.db2.gz GNRHBNOCAPAQFP-UHFFFAOYSA-N 1 1 369.852 3.265 20 30 FGEDMO N#Cc1cnc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000427905195 500444346 /nfs/dbraw/zinc/44/43/46/500444346.db2.gz WMVGPPOFAFHEKB-INIZCTEOSA-N 1 1 354.841 3.001 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3C#N)C2)nc1 ZINC000428370369 500501247 /nfs/dbraw/zinc/50/12/47/500501247.db2.gz QAUJKEWUXZMNLE-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3C#N)C2)nc1 ZINC000428370369 500501248 /nfs/dbraw/zinc/50/12/48/500501248.db2.gz QAUJKEWUXZMNLE-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)s1 ZINC000420793884 500502811 /nfs/dbraw/zinc/50/28/11/500502811.db2.gz QZVRAVIZQUIPNR-OAHLLOKOSA-N 1 1 354.479 3.036 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)s1 ZINC000420793884 500502814 /nfs/dbraw/zinc/50/28/14/500502814.db2.gz QZVRAVIZQUIPNR-OAHLLOKOSA-N 1 1 354.479 3.036 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]2CCO)cc1OC ZINC000428455831 500511950 /nfs/dbraw/zinc/51/19/50/500511950.db2.gz HBGRDKGVDAITOE-AWEZNQCLSA-N 1 1 370.287 3.369 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H]2CCO)cc1OC ZINC000428455831 500511951 /nfs/dbraw/zinc/51/19/51/500511951.db2.gz HBGRDKGVDAITOE-AWEZNQCLSA-N 1 1 370.287 3.369 20 30 FGEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000428500389 500518205 /nfs/dbraw/zinc/51/82/05/500518205.db2.gz LJSGUVFRBQTYGV-ZDUSSCGKSA-N 1 1 360.527 3.403 20 30 FGEDMO C=CCCn1cc(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nn1 ZINC000424721993 500550387 /nfs/dbraw/zinc/55/03/87/500550387.db2.gz MWROPTMBLFLDQO-PKOBYXMFSA-N 1 1 367.497 3.152 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@H]1C ZINC000428799660 500559280 /nfs/dbraw/zinc/55/92/80/500559280.db2.gz KIYLOTGKKNKLGG-IAGOWNOFSA-N 1 1 365.481 3.018 20 30 FGEDMO CC[N@@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)[C@H](C)CO ZINC000428839910 500564253 /nfs/dbraw/zinc/56/42/53/500564253.db2.gz LVNZBCQEUDXWFE-MRXNPFEDSA-N 1 1 354.450 3.349 20 30 FGEDMO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)C(N)=O ZINC000428843148 500564971 /nfs/dbraw/zinc/56/49/71/500564971.db2.gz UZTVFSGMIUNXLA-SJKOYZFVSA-N 1 1 372.266 3.068 20 30 FGEDMO Cc1cc(Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)ccc1C#N ZINC000447307325 500589391 /nfs/dbraw/zinc/58/93/91/500589391.db2.gz XSSSGKULNRHZNP-UHFFFAOYSA-N 1 1 370.456 3.030 20 30 FGEDMO Cc1cc(Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)ccc1C#N ZINC000447307325 500589392 /nfs/dbraw/zinc/58/93/92/500589392.db2.gz XSSSGKULNRHZNP-UHFFFAOYSA-N 1 1 370.456 3.030 20 30 FGEDMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(CC)CC2)nc1)c1ccc(C#N)cc1 ZINC000447529368 500618020 /nfs/dbraw/zinc/61/80/20/500618020.db2.gz JZKLRDPMNUMFSN-OAQYLSRUSA-N 1 1 363.509 3.336 20 30 FGEDMO COc1cc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)ccc1C#N ZINC000442795957 500626783 /nfs/dbraw/zinc/62/67/83/500626783.db2.gz FKPXTJRKHPOMLF-UHFFFAOYSA-N 1 1 362.433 3.459 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(C#N)c(O)c3)cc2)C1 ZINC000442867921 500635986 /nfs/dbraw/zinc/63/59/86/500635986.db2.gz FXGZIRKXWGHEDT-INIZCTEOSA-N 1 1 363.461 3.426 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000437477626 500649090 /nfs/dbraw/zinc/64/90/90/500649090.db2.gz AMLUALWVUKUKAV-JWWGGVBKSA-N 1 1 372.509 3.007 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000437477626 500649093 /nfs/dbraw/zinc/64/90/93/500649093.db2.gz AMLUALWVUKUKAV-JWWGGVBKSA-N 1 1 372.509 3.007 20 30 FGEDMO C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000433229680 500651168 /nfs/dbraw/zinc/65/11/68/500651168.db2.gz CRSWCUZVTRIFTN-GHMZBOCLSA-N 1 1 360.342 3.472 20 30 FGEDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000443063362 500672122 /nfs/dbraw/zinc/67/21/22/500672122.db2.gz DFXWGKAFKAKSHR-QGZVFWFLSA-N 1 1 352.482 3.002 20 30 FGEDMO CCOc1ccccc1C[N@H+]1CCN(Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000443063362 500672124 /nfs/dbraw/zinc/67/21/24/500672124.db2.gz DFXWGKAFKAKSHR-QGZVFWFLSA-N 1 1 352.482 3.002 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000437926683 500718014 /nfs/dbraw/zinc/71/80/14/500718014.db2.gz AQFPAXLMNRRVFG-QGTPRVQTSA-N 1 1 365.905 3.223 20 30 FGEDMO C[C@@H](CNc1ccc(C(F)(F)F)c(C#N)n1)[N@H+]1CCc2sccc2C1 ZINC000443512616 500732925 /nfs/dbraw/zinc/73/29/25/500732925.db2.gz WIKXCLMWASXOEO-NSHDSACASA-N 1 1 366.412 3.314 20 30 FGEDMO C=CCCCCNC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000570703694 506214580 /nfs/dbraw/zinc/21/45/80/506214580.db2.gz KQDPCLDLJKGBSC-GOSISDBHSA-N 1 1 371.525 3.150 20 30 FGEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000438443863 500785928 /nfs/dbraw/zinc/78/59/28/500785928.db2.gz MUYBJUQWGJROSO-RTBURBONSA-N 1 1 351.535 3.121 20 30 FGEDMO CC(=O)N1CC[NH+](Cc2cccc(NCc3ccc(C#N)c(C)c3)c2)CC1 ZINC000444001096 500789931 /nfs/dbraw/zinc/78/99/31/500789931.db2.gz JSAQIKNANYGDOQ-UHFFFAOYSA-N 1 1 362.477 3.143 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCCC#N ZINC000438853121 500827248 /nfs/dbraw/zinc/82/72/48/500827248.db2.gz CGXUBPQIIDNFLS-XLIONFOSSA-N 1 1 371.529 3.326 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCCC#N ZINC000438853121 500827250 /nfs/dbraw/zinc/82/72/50/500827250.db2.gz CGXUBPQIIDNFLS-XLIONFOSSA-N 1 1 371.529 3.326 20 30 FGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448779746 500831810 /nfs/dbraw/zinc/83/18/10/500831810.db2.gz GVAURKUHQFVURN-OLZOCXBDSA-N 1 1 364.287 3.171 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448779745 500831952 /nfs/dbraw/zinc/83/19/52/500831952.db2.gz GVAURKUHQFVURN-CHWSQXEVSA-N 1 1 364.287 3.171 20 30 FGEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000434391517 500835928 /nfs/dbraw/zinc/83/59/28/500835928.db2.gz SHJXZUCTMRTZTQ-MRXNPFEDSA-N 1 1 374.448 3.161 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1C#N ZINC000444628184 500869275 /nfs/dbraw/zinc/86/92/75/500869275.db2.gz HCLZWOYEECXKCE-UHFFFAOYSA-N 1 1 372.538 3.404 20 30 FGEDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000444777238 500898689 /nfs/dbraw/zinc/89/86/89/500898689.db2.gz FFTMWWKWZZHNHX-HXUWFJFHSA-N 1 1 357.454 3.085 20 30 FGEDMO CC[C@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCCO1 ZINC000439471539 500900632 /nfs/dbraw/zinc/90/06/32/500900632.db2.gz QYXLKQNQPZXUQT-ICSRJNTNSA-N 1 1 357.498 3.440 20 30 FGEDMO C[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000435023611 500923549 /nfs/dbraw/zinc/92/35/49/500923549.db2.gz LZXYCGQJQYTDBL-OAHLLOKOSA-N 1 1 365.502 3.214 20 30 FGEDMO C[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[N@H+]1CCc2sccc2C1 ZINC000435023611 500923552 /nfs/dbraw/zinc/92/35/52/500923552.db2.gz LZXYCGQJQYTDBL-OAHLLOKOSA-N 1 1 365.502 3.214 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000439827132 500942745 /nfs/dbraw/zinc/94/27/45/500942745.db2.gz VAJHGCOGENZLCY-ZDUSSCGKSA-N 1 1 351.878 3.201 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440473808 501011738 /nfs/dbraw/zinc/01/17/38/501011738.db2.gz PAGXKUGZZFMPBD-IBGZPJMESA-N 1 1 355.482 3.200 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440473808 501011740 /nfs/dbraw/zinc/01/17/40/501011740.db2.gz PAGXKUGZZFMPBD-IBGZPJMESA-N 1 1 355.482 3.200 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000435731223 501019366 /nfs/dbraw/zinc/01/93/66/501019366.db2.gz KIEUXTYRXPKONH-UZLBHIALSA-N 1 1 363.933 3.163 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 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OBGFTOXVHAYUPV-GOSISDBHSA-N 1 1 374.366 3.346 20 30 FGEDMO N#Cc1cc(Br)ccc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000588203182 506232653 /nfs/dbraw/zinc/23/26/53/506232653.db2.gz VEESLVPAGNKMDK-GOSISDBHSA-N 1 1 357.251 3.244 20 30 FGEDMO CCOC(=O)[C@H]1C[N@@H+](CCOc2ccccc2C#N)Cc2ccccc21 ZINC000441128545 501091967 /nfs/dbraw/zinc/09/19/67/501091967.db2.gz DNMPYLSABMDYPA-IBGZPJMESA-N 1 1 350.418 3.100 20 30 FGEDMO CCc1ccc(C[NH+]2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)s1 ZINC000450341005 501095829 /nfs/dbraw/zinc/09/58/29/501095829.db2.gz HYHXHSNVSNTSRJ-UHFFFAOYSA-N 1 1 356.451 3.413 20 30 FGEDMO C[N@H+]1CCC[C@H](CNc2ncc(C#N)cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000450350726 501097788 /nfs/dbraw/zinc/09/77/88/501097788.db2.gz RWFWYUCRUTWOGT-CJNGLKHVSA-N 1 1 357.439 3.418 20 30 FGEDMO CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)c1ccc(Cl)cc1 ZINC000588206826 506234677 /nfs/dbraw/zinc/23/46/77/506234677.db2.gz MZMLOKVSESYSQV-AEFFLSMTSA-N 1 1 366.868 3.370 20 30 FGEDMO CC1CCC([N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]2CCCO2)CC1 ZINC000441468742 501144265 /nfs/dbraw/zinc/14/42/65/501144265.db2.gz UOSXAPKJGABQIH-CTWPCTMYSA-N 1 1 361.530 3.389 20 30 FGEDMO C[C@@H]1CN(c2c(C#N)nnc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000450814068 501212776 /nfs/dbraw/zinc/21/27/76/501212776.db2.gz UJZJZLHEYLJGOV-KRWDZBQOSA-N 1 1 357.461 3.460 20 30 FGEDMO C=CCC[C@H](CO)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000457650697 501277738 /nfs/dbraw/zinc/27/77/38/501277738.db2.gz MOGUMPKKCRZQHK-FXAWDEMLSA-N 1 1 359.514 3.187 20 30 FGEDMO CC[N@@H+](CCC1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1)CC1CC1 ZINC000451373225 501278313 /nfs/dbraw/zinc/27/83/13/501278313.db2.gz RATZOWYFMIXQGF-UHFFFAOYSA-N 1 1 369.575 3.090 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCC(CF)CC2)c1C#N ZINC000451399657 501283053 /nfs/dbraw/zinc/28/30/53/501283053.db2.gz ZTVZJRYRKORCAP-UHFFFAOYSA-N 1 1 372.444 3.238 20 30 FGEDMO C[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@H](C)[N@@H+]1C ZINC000455392211 501290451 /nfs/dbraw/zinc/29/04/51/501290451.db2.gz VEDRQQWWXLAAPG-PHIMTYICSA-N 1 1 356.348 3.013 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455401288 501292418 /nfs/dbraw/zinc/29/24/18/501292418.db2.gz GSJKCZNJHGOWRZ-WOZUAGRISA-N 1 1 369.509 3.026 20 30 FGEDMO CCC[C@H]1CN(C(=O)c2cc(C)c(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000457715621 501293415 /nfs/dbraw/zinc/29/34/15/501293415.db2.gz TWDQPDYYLLBILA-FQEVSTJZSA-N 1 1 362.477 3.388 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)cc1 ZINC000451548766 501319747 /nfs/dbraw/zinc/31/97/47/501319747.db2.gz FRKCGKBBARIYAE-LJQANCHMSA-N 1 1 373.497 3.079 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](OC)C(C)(C)C2)cc1 ZINC000451548766 501319750 /nfs/dbraw/zinc/31/97/50/501319750.db2.gz FRKCGKBBARIYAE-LJQANCHMSA-N 1 1 373.497 3.079 20 30 FGEDMO CCO[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C ZINC000451552508 501321445 /nfs/dbraw/zinc/32/14/45/501321445.db2.gz YTSXDYDHHOFVAY-PXNSSMCTSA-N 1 1 357.498 3.297 20 30 FGEDMO C=CCn1c(CCc2ccco2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453423241 501328657 /nfs/dbraw/zinc/32/86/57/501328657.db2.gz COCPBQJIGDJQFF-KRWDZBQOSA-N 1 1 369.513 3.153 20 30 FGEDMO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000453440826 501332768 /nfs/dbraw/zinc/33/27/68/501332768.db2.gz NGDDFBAFDMUAFJ-QRQLOZEOSA-N 1 1 371.529 3.159 20 30 FGEDMO C=CCn1c([C@@H]2CCCCO2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000453442321 501332900 /nfs/dbraw/zinc/33/29/00/501332900.db2.gz PEYFFLZWJQBCMO-SFHVURJKSA-N 1 1 359.518 3.160 20 30 FGEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453448435 501334720 /nfs/dbraw/zinc/33/47/20/501334720.db2.gz CDWNWJWZDVPHCA-MRXNPFEDSA-N 1 1 354.502 3.160 20 30 FGEDMO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453461638 501338848 /nfs/dbraw/zinc/33/88/48/501338848.db2.gz GRGRAWGWQJCEMF-IEBWSBKVSA-N 1 1 373.545 3.406 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451695701 501353108 /nfs/dbraw/zinc/35/31/08/501353108.db2.gz NVXPKEBTIPKBTH-XWTMOSNGSA-N 1 1 362.539 3.134 20 30 FGEDMO C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000458038857 501361330 /nfs/dbraw/zinc/36/13/30/501361330.db2.gz QABKWSLTHGWHRR-WCQYABFASA-N 1 1 353.260 3.150 20 30 FGEDMO Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccc(CC#N)cc3Cl)CC2)c1 ZINC000455698874 501367356 /nfs/dbraw/zinc/36/73/56/501367356.db2.gz GTMJPBWVWSEVBY-UHFFFAOYSA-N 1 1 369.856 3.464 20 30 FGEDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000451854774 501386755 /nfs/dbraw/zinc/38/67/55/501386755.db2.gz RIIJWQRAVDETIK-UXHICEINSA-N 1 1 369.509 3.440 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451896110 501395376 /nfs/dbraw/zinc/39/53/76/501395376.db2.gz GASJJVXUYCNYLF-DENIHFKCSA-N 1 1 369.509 3.441 20 30 FGEDMO COC[C@@]1(CO)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451938804 501404554 /nfs/dbraw/zinc/40/45/54/501404554.db2.gz VWLVMZBOANVAQS-QFIPXVFZSA-N 1 1 364.489 3.217 20 30 FGEDMO COC[C@]1(CO)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451938801 501404731 /nfs/dbraw/zinc/40/47/31/501404731.db2.gz VWLVMZBOANVAQS-JOCHJYFZSA-N 1 1 364.489 3.217 20 30 FGEDMO C=CC(C)(C)CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000454287086 501502578 /nfs/dbraw/zinc/50/25/78/501502578.db2.gz MHQYYHSFHPCSOO-UHFFFAOYSA-N 1 1 351.441 3.441 20 30 FGEDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H](CCCC#N)c2ccccc2)C[C@H](C)O1 ZINC000458840533 501541925 /nfs/dbraw/zinc/54/19/25/501541925.db2.gz NRKTUJJNZPEFPB-NSHGMRRFSA-N 1 1 372.513 3.172 20 30 FGEDMO C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H](CCCC#N)c2ccccc2)C[C@H](C)O1 ZINC000458840533 501541927 /nfs/dbraw/zinc/54/19/27/501541927.db2.gz NRKTUJJNZPEFPB-NSHGMRRFSA-N 1 1 372.513 3.172 20 30 FGEDMO C=C(C)CCNC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000454489667 501558359 /nfs/dbraw/zinc/55/83/59/501558359.db2.gz RHNWXPWSYODSDF-UHFFFAOYSA-N 1 1 350.532 3.183 20 30 FGEDMO C[N@@H+]1CCCC[C@H](CNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000598993371 506266677 /nfs/dbraw/zinc/26/66/77/506266677.db2.gz ANQIWJFYSLZSMP-GOSISDBHSA-N 1 1 351.498 3.285 20 30 FGEDMO C[N@H+]1CCCC[C@H](CNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000598993371 506266685 /nfs/dbraw/zinc/26/66/85/506266685.db2.gz ANQIWJFYSLZSMP-GOSISDBHSA-N 1 1 351.498 3.285 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459252416 501619646 /nfs/dbraw/zinc/61/96/46/501619646.db2.gz GYZBIVSQYJFWIU-MRXNPFEDSA-N 1 1 360.458 3.024 20 30 FGEDMO CC1(C)CCC[N@H+]1CCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000457068707 501644278 /nfs/dbraw/zinc/64/42/78/501644278.db2.gz DYWUMDKJAUMKOJ-UHFFFAOYSA-N 1 1 367.449 3.334 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459401223 501646921 /nfs/dbraw/zinc/64/69/21/501646921.db2.gz DBGIPTGLAOFFOK-OXJNMPFZSA-N 1 1 364.449 3.467 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000459408839 501648278 /nfs/dbraw/zinc/64/82/78/501648278.db2.gz AWSJLRKNJKHWAE-AEFFLSMTSA-N 1 1 359.332 3.364 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000454902904 501652117 /nfs/dbraw/zinc/65/21/17/501652117.db2.gz OMWSTSTWZXDAOF-PMACEKPBSA-N 1 1 371.525 3.322 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000457113133 501652691 /nfs/dbraw/zinc/65/26/91/501652691.db2.gz JRLUFFYITGXOHG-QGZVFWFLSA-N 1 1 367.449 3.285 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000459474081 501659664 /nfs/dbraw/zinc/65/96/64/501659664.db2.gz YMQABTFKTRNEIB-BJJXKVORSA-N 1 1 364.287 3.078 20 30 FGEDMO COC(=O)c1ccc(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000459503623 501665514 /nfs/dbraw/zinc/66/55/14/501665514.db2.gz BQUXQKQOWMVEMK-CQSZACIVSA-N 1 1 355.463 3.290 20 30 FGEDMO COC(=O)c1ccc(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)s1 ZINC000459517133 501667815 /nfs/dbraw/zinc/66/78/15/501667815.db2.gz RWVYAUGAJYLBAR-CQSZACIVSA-N 1 1 355.463 3.290 20 30 FGEDMO CC#CCN(C)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455004833 501670248 /nfs/dbraw/zinc/67/02/48/501670248.db2.gz SPEMZRAOBPXMOA-LJQANCHMSA-N 1 1 365.481 3.126 20 30 FGEDMO Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)ncc1C#N ZINC000457503058 501712244 /nfs/dbraw/zinc/71/22/44/501712244.db2.gz GCBWEYYQHKSWHL-UHFFFAOYSA-N 1 1 352.463 3.063 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000460050236 501725598 /nfs/dbraw/zinc/72/55/98/501725598.db2.gz IJGJAKMYCJLWRZ-CJNGLKHVSA-N 1 1 354.841 3.172 20 30 FGEDMO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C[C@@H]1CC=CCC1 ZINC000485145783 501738472 /nfs/dbraw/zinc/73/84/72/501738472.db2.gz WFESFRHODSCDBL-MRXNPFEDSA-N 1 1 361.511 3.480 20 30 FGEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000467230413 501746271 /nfs/dbraw/zinc/74/62/71/501746271.db2.gz NQTUEWAAIOQNRO-IRLDBZIGSA-N 1 1 350.462 3.395 20 30 FGEDMO COCC[C@H]1CCCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000467271437 501754418 /nfs/dbraw/zinc/75/44/18/501754418.db2.gz NVTNRRJUMHYHLA-RBUKOAKNSA-N 1 1 357.498 3.460 20 30 FGEDMO Cc1nc2sccn2c1C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000474266126 501766579 /nfs/dbraw/zinc/76/65/79/501766579.db2.gz MJCOGJKOHBZQKE-UHFFFAOYSA-N 1 1 353.451 3.037 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)ccc1OC ZINC000467377439 501781414 /nfs/dbraw/zinc/78/14/14/501781414.db2.gz PJCBAMMYIUINRR-ABSDTBQOSA-N 1 1 359.466 3.424 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)ccc1OC ZINC000467377439 501781417 /nfs/dbraw/zinc/78/14/17/501781417.db2.gz PJCBAMMYIUINRR-ABSDTBQOSA-N 1 1 359.466 3.424 20 30 FGEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000481587295 501823579 /nfs/dbraw/zinc/82/35/79/501823579.db2.gz OMGMVPWLCHEDNQ-GOSISDBHSA-N 1 1 364.417 3.232 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(C#N)cc1F ZINC000477920392 501829086 /nfs/dbraw/zinc/82/90/86/501829086.db2.gz MNUWIDCYRRWJGB-DJJJIMSYSA-N 1 1 355.388 3.288 20 30 FGEDMO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(C#N)cc3F)C2=O)cc1 ZINC000477927543 501830664 /nfs/dbraw/zinc/83/06/64/501830664.db2.gz ONAVTCCRTMAATH-FOIQADDNSA-N 1 1 351.425 3.458 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000485515919 501843623 /nfs/dbraw/zinc/84/36/23/501843623.db2.gz ONAIEIMZFDXVPA-OYNPSCLESA-N 1 1 356.510 3.479 20 30 FGEDMO C=C(C)C[N@H+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1ccccc1 ZINC000470919288 501856145 /nfs/dbraw/zinc/85/61/45/501856145.db2.gz SHNUDZGYJUGPIZ-UHFFFAOYSA-N 1 1 367.493 3.002 20 30 FGEDMO C=C(C)C[N@@H+](CC(=O)N1CCN(Cc2ccco2)CC1)Cc1ccccc1 ZINC000470919288 501856153 /nfs/dbraw/zinc/85/61/53/501856153.db2.gz SHNUDZGYJUGPIZ-UHFFFAOYSA-N 1 1 367.493 3.002 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000478032933 501859942 /nfs/dbraw/zinc/85/99/42/501859942.db2.gz YTANUBGYJDALBV-ROUUACIJSA-N 1 1 363.571 3.315 20 30 FGEDMO CC[C@H](C(=O)NCc1ccc(C#N)c(OC)c1)[N@@H+](C)Cc1ccccc1 ZINC000460596940 501871867 /nfs/dbraw/zinc/87/18/67/501871867.db2.gz JHOSLDHSVKSELQ-LJQANCHMSA-N 1 1 351.450 3.094 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470969859 501875825 /nfs/dbraw/zinc/87/58/25/501875825.db2.gz VDXOAXUZHZDHTJ-HOCLYGCPSA-N 1 1 374.916 3.202 20 30 FGEDMO CC(C)(C)OC(=O)CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000470995891 501886263 /nfs/dbraw/zinc/88/62/63/501886263.db2.gz QDGSQTKKJHIIGY-QGZVFWFLSA-N 1 1 363.889 3.254 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000471017723 501892677 /nfs/dbraw/zinc/89/26/77/501892677.db2.gz JMIJSBSEWKOWAR-CABCVRRESA-N 1 1 362.905 3.202 20 30 FGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000602738425 506280120 /nfs/dbraw/zinc/28/01/20/506280120.db2.gz ODOJLODFUHVQJX-WCQYABFASA-N 1 1 352.278 3.180 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000602738425 506280124 /nfs/dbraw/zinc/28/01/24/506280124.db2.gz ODOJLODFUHVQJX-WCQYABFASA-N 1 1 352.278 3.180 20 30 FGEDMO CN(C(=O)Nc1ccc(F)cc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474631085 501901002 /nfs/dbraw/zinc/90/10/02/501901002.db2.gz LQBSLLCHJMCVTK-SFHVURJKSA-N 1 1 352.413 3.436 20 30 FGEDMO C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485707601 501908510 /nfs/dbraw/zinc/90/85/10/501908510.db2.gz KQJXIUPEXSCBRI-IBGZPJMESA-N 1 1 355.388 3.464 20 30 FGEDMO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485707601 501908512 /nfs/dbraw/zinc/90/85/12/501908512.db2.gz KQJXIUPEXSCBRI-IBGZPJMESA-N 1 1 355.388 3.464 20 30 FGEDMO C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485707602 501909137 /nfs/dbraw/zinc/90/91/37/501909137.db2.gz KQJXIUPEXSCBRI-LJQANCHMSA-N 1 1 355.388 3.464 20 30 FGEDMO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485707602 501909143 /nfs/dbraw/zinc/90/91/43/501909143.db2.gz KQJXIUPEXSCBRI-LJQANCHMSA-N 1 1 355.388 3.464 20 30 FGEDMO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481924578 501920104 /nfs/dbraw/zinc/92/01/04/501920104.db2.gz PBJALGLXKRKJIU-XMSQKQJNSA-N 1 1 354.542 3.189 20 30 FGEDMO C=CCCC1(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000474771887 501947764 /nfs/dbraw/zinc/94/77/64/501947764.db2.gz DUTIDPYVOYQMPD-UHFFFAOYSA-N 1 1 355.526 3.057 20 30 FGEDMO Cc1cc(N[C@H](C)C[C@@H]2CCOC2)c(C#N)c(N[C@H](C)C[C@H]2CCOC2)[nH+]1 ZINC000596159423 506286556 /nfs/dbraw/zinc/28/65/56/506286556.db2.gz ICDXJFSAPXXMDB-XYVMCAHJSA-N 1 1 372.513 3.138 20 30 FGEDMO C=CCc1ccc(OCC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000478563310 502019639 /nfs/dbraw/zinc/01/96/39/502019639.db2.gz JZXZVRZALBRESA-IRXDYDNUSA-N 1 1 360.498 3.182 20 30 FGEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CCCCOc1cccc(C#N)c1 ZINC000461264150 502056044 /nfs/dbraw/zinc/05/60/44/502056044.db2.gz NSHNQACNVDPVTQ-LJQANCHMSA-N 1 1 357.498 3.440 20 30 FGEDMO N#Cc1cc(F)ccc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000486201431 502081196 /nfs/dbraw/zinc/08/11/96/502081196.db2.gz ZGOMQZKPQGXHAA-UHFFFAOYSA-N 1 1 357.295 3.468 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000464814500 502103213 /nfs/dbraw/zinc/10/32/13/502103213.db2.gz PYGDLMMLAGSUIU-NHCUHLMSSA-N 1 1 373.456 3.444 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000464814500 502103216 /nfs/dbraw/zinc/10/32/16/502103216.db2.gz PYGDLMMLAGSUIU-NHCUHLMSSA-N 1 1 373.456 3.444 20 30 FGEDMO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000461461133 502123557 /nfs/dbraw/zinc/12/35/57/502123557.db2.gz RMDMDYMZVLSDQZ-GOSISDBHSA-N 1 1 370.472 3.135 20 30 FGEDMO CCSc1cccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000471808570 502141957 /nfs/dbraw/zinc/14/19/57/502141957.db2.gz FKAHRAXYSUVLPM-UHFFFAOYSA-N 1 1 355.511 3.034 20 30 FGEDMO CC(C)[C@@H]1CN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000486518586 502179304 /nfs/dbraw/zinc/17/93/04/502179304.db2.gz LYUBXPLULWVGKH-KRWDZBQOSA-N 1 1 367.415 3.039 20 30 FGEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000471959802 502183789 /nfs/dbraw/zinc/18/37/89/502183789.db2.gz ZGCMJKNOCQZTEZ-UXHICEINSA-N 1 1 352.482 3.011 20 30 FGEDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)Nc1ccccc1C#N ZINC000482977365 502233955 /nfs/dbraw/zinc/23/39/55/502233955.db2.gz YDYKBQXCHAATQZ-VXGBXAGGSA-N 1 1 373.254 3.394 20 30 FGEDMO CC#CCCNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000482981649 502235688 /nfs/dbraw/zinc/23/56/88/502235688.db2.gz PFBHFPHSZXLTNN-UHFFFAOYSA-N 1 1 366.465 3.019 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+](CCSc3ccc(C)c(C)c3)CC2)c1C#N ZINC000472148871 502249344 /nfs/dbraw/zinc/24/93/44/502249344.db2.gz ATSKDPLBNWZKGU-UHFFFAOYSA-N 1 1 369.538 3.131 20 30 FGEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000461955881 502252414 /nfs/dbraw/zinc/25/24/14/502252414.db2.gz IYAYOYZEWICYTE-SXLOBPIMSA-N 1 1 368.525 3.451 20 30 FGEDMO Cc1cc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)ccc1C#N ZINC000486791362 502262733 /nfs/dbraw/zinc/26/27/33/502262733.db2.gz MNQYWJKJASWIPF-UHFFFAOYSA-N 1 1 371.282 3.346 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc(C#N)s3)cc2)C[C@H](C)O1 ZINC000486799071 502265790 /nfs/dbraw/zinc/26/57/90/502265790.db2.gz MEWQOAJIAONONT-GASCZTMLSA-N 1 1 369.490 3.159 20 30 FGEDMO N#Cc1ccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)s1 ZINC000486908339 502300415 /nfs/dbraw/zinc/30/04/15/502300415.db2.gz MLUBHKFWDYBSGQ-UHFFFAOYSA-N 1 1 351.475 3.283 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](COC)Cc1ccccc1 ZINC000472323674 502314477 /nfs/dbraw/zinc/31/44/77/502314477.db2.gz FKKVXKVWJCIZFJ-HXUWFJFHSA-N 1 1 351.450 3.076 20 30 FGEDMO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccc(F)c1 ZINC000472323139 502314520 /nfs/dbraw/zinc/31/45/20/502314520.db2.gz SYJPKSGKRYGAJH-YCRPNKLZSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccc(F)c1 ZINC000472323139 502314523 /nfs/dbraw/zinc/31/45/23/502314523.db2.gz SYJPKSGKRYGAJH-YCRPNKLZSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479613279 502319071 /nfs/dbraw/zinc/31/90/71/502319071.db2.gz NVNPJWNVHCNMKX-OAHLLOKOSA-N 1 1 351.475 3.486 20 30 FGEDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479613279 502319075 /nfs/dbraw/zinc/31/90/75/502319075.db2.gz NVNPJWNVHCNMKX-OAHLLOKOSA-N 1 1 351.475 3.486 20 30 FGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000588683615 506306227 /nfs/dbraw/zinc/30/62/27/506306227.db2.gz GZTPOCXLOMOPSM-UHFFFAOYSA-N 1 1 351.454 3.211 20 30 FGEDMO C[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)c1cccc(C#N)c1 ZINC000462536922 502478776 /nfs/dbraw/zinc/47/87/76/502478776.db2.gz GKKWVSPUFIOCOT-YLJYHZDGSA-N 1 1 362.477 3.037 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000469675299 502499538 /nfs/dbraw/zinc/49/95/38/502499538.db2.gz OTDWKAVNVTXWQY-OYNPSCLESA-N 1 1 356.510 3.385 20 30 FGEDMO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000469738585 502526271 /nfs/dbraw/zinc/52/62/71/502526271.db2.gz WUXMUTCSMPHUJP-NRFANRHFSA-N 1 1 356.441 3.485 20 30 FGEDMO C=CCCO[C@H](C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496149 502611208 /nfs/dbraw/zinc/61/12/08/502611208.db2.gz MMCPADGSYHLHBH-DENIHFKCSA-N 1 1 356.510 3.482 20 30 FGEDMO Cc1cc(C[NH2+][C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000488120963 502632661 /nfs/dbraw/zinc/63/26/61/502632661.db2.gz WLBBJFZRRWCHPH-GOSISDBHSA-N 1 1 361.367 3.376 20 30 FGEDMO C=C[C@@](C)(CCOC)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000473584305 502645229 /nfs/dbraw/zinc/64/52/29/502645229.db2.gz YDUHBNYGIMMSPV-FQEVSTJZSA-N 1 1 366.546 3.145 20 30 FGEDMO C[N@@H+](CCCNC(=O)NC1(c2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000477006723 502648362 /nfs/dbraw/zinc/64/83/62/502648362.db2.gz AUBVDMFEMYISDQ-UHFFFAOYSA-N 1 1 362.477 3.369 20 30 FGEDMO CC(C)Oc1ccnc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000592998521 506327553 /nfs/dbraw/zinc/32/75/53/506327553.db2.gz BJBLXUWDEHCARI-UHFFFAOYSA-N 1 1 350.466 3.453 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000592999525 506328096 /nfs/dbraw/zinc/32/80/96/506328096.db2.gz RAPVILORVBNOMF-UHFFFAOYSA-N 1 1 370.453 3.127 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000477135916 502687362 /nfs/dbraw/zinc/68/73/62/502687362.db2.gz JLBFYZZCUIVEFT-OAHLLOKOSA-N 1 1 357.458 3.342 20 30 FGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCc1cccc(C#N)c1 ZINC000466825843 502695561 /nfs/dbraw/zinc/69/55/61/502695561.db2.gz YPVGZPIVIDXDBR-SFHVURJKSA-N 1 1 362.477 3.017 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCc1cccc(C#N)c1 ZINC000466825843 502695566 /nfs/dbraw/zinc/69/55/66/502695566.db2.gz YPVGZPIVIDXDBR-SFHVURJKSA-N 1 1 362.477 3.017 20 30 FGEDMO C=CCn1cccc1C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000488477716 502725932 /nfs/dbraw/zinc/72/59/32/502725932.db2.gz AMBFXXWIZMGAGP-UHFFFAOYSA-N 1 1 352.482 3.064 20 30 FGEDMO CC[N@@H+]1[C@H](C)CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1C ZINC000602874862 506334248 /nfs/dbraw/zinc/33/42/48/506334248.db2.gz UUNRVWMPXDCLPQ-ZACQAIPSSA-N 1 1 374.554 3.291 20 30 FGEDMO C[C@H](C#N)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000470549927 502810401 /nfs/dbraw/zinc/81/04/01/502810401.db2.gz RORHPZQPCXSQHA-GDBMZVCRSA-N 1 1 353.388 3.059 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)Cc1c(F)cccc1C#N)c1ccccc1Cl ZINC000505154554 502860607 /nfs/dbraw/zinc/86/06/07/502860607.db2.gz JBAXINNQXYIQCX-SFHVURJKSA-N 1 1 359.832 3.312 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC=C(c2ccncc2)C1 ZINC000513183513 502871326 /nfs/dbraw/zinc/87/13/26/502871326.db2.gz LMTHFLGMDWMMIQ-NRFANRHFSA-N 1 1 350.462 3.339 20 30 FGEDMO CO[C@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000513270736 502893648 /nfs/dbraw/zinc/89/36/48/502893648.db2.gz GYRQAUXVXPXGRL-CYBMUJFWSA-N 1 1 372.444 3.010 20 30 FGEDMO CO[C@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000513270736 502893652 /nfs/dbraw/zinc/89/36/52/502893652.db2.gz GYRQAUXVXPXGRL-CYBMUJFWSA-N 1 1 372.444 3.010 20 30 FGEDMO N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000489360563 502937367 /nfs/dbraw/zinc/93/73/67/502937367.db2.gz FPTFRYJALUQKNM-HKBOAZHASA-N 1 1 366.509 3.200 20 30 FGEDMO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602899979 506343564 /nfs/dbraw/zinc/34/35/64/506343564.db2.gz VQERZIMQNMZUOM-OAHLLOKOSA-N 1 1 368.506 3.201 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C#N ZINC000505701134 502969367 /nfs/dbraw/zinc/96/93/67/502969367.db2.gz MYPPALGOZKBBFB-FQEVSTJZSA-N 1 1 370.522 3.110 20 30 FGEDMO N#C[C@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)C[C@@]12C(=O)Nc1ccccc12 ZINC000513665392 502995489 /nfs/dbraw/zinc/99/54/89/502995489.db2.gz DKXLCWLBVKNLET-OYHNWAKOSA-N 1 1 372.403 3.219 20 30 FGEDMO N#C[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)C[C@@]12C(=O)Nc1ccccc12 ZINC000513665392 502995490 /nfs/dbraw/zinc/99/54/90/502995490.db2.gz DKXLCWLBVKNLET-OYHNWAKOSA-N 1 1 372.403 3.219 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccccc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000497593539 502996070 /nfs/dbraw/zinc/99/60/70/502996070.db2.gz DKLXJNOZTRVSHJ-OAHLLOKOSA-N 1 1 365.433 3.366 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccccc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000497593539 502996073 /nfs/dbraw/zinc/99/60/73/502996073.db2.gz DKLXJNOZTRVSHJ-OAHLLOKOSA-N 1 1 365.433 3.366 20 30 FGEDMO Cc1ccc([C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000513788882 503022520 /nfs/dbraw/zinc/02/25/20/503022520.db2.gz ZCLPIOJMYLFAHP-FQEVSTJZSA-N 1 1 354.475 3.478 20 30 FGEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000513788882 503022526 /nfs/dbraw/zinc/02/25/26/503022526.db2.gz ZCLPIOJMYLFAHP-FQEVSTJZSA-N 1 1 354.475 3.478 20 30 FGEDMO C[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501592494 503045432 /nfs/dbraw/zinc/04/54/32/503045432.db2.gz UTTLZEBDZXAOGZ-CABCVRRESA-N 1 1 368.868 3.342 20 30 FGEDMO C[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501592494 503045435 /nfs/dbraw/zinc/04/54/35/503045435.db2.gz UTTLZEBDZXAOGZ-CABCVRRESA-N 1 1 368.868 3.342 20 30 FGEDMO O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000513913029 503046873 /nfs/dbraw/zinc/04/68/73/503046873.db2.gz KSEGMDROVRAYJO-NRFANRHFSA-N 1 1 368.427 3.487 20 30 FGEDMO O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000513913029 503046875 /nfs/dbraw/zinc/04/68/75/503046875.db2.gz KSEGMDROVRAYJO-NRFANRHFSA-N 1 1 368.427 3.487 20 30 FGEDMO Cc1nn(-c2ccccc2)cc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506112669 503050918 /nfs/dbraw/zinc/05/09/18/503050918.db2.gz MPUKQWBCEUHLLQ-UHFFFAOYSA-N 1 1 371.488 3.370 20 30 FGEDMO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602912625 506349470 /nfs/dbraw/zinc/34/94/70/506349470.db2.gz ONWGYHVHFJWHBQ-OAHLLOKOSA-N 1 1 364.449 3.168 20 30 FGEDMO C=CCCO[C@@H](C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000497905007 503063902 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350.462 3.314 20 30 FGEDMO CSC1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000602922995 506353217 /nfs/dbraw/zinc/35/32/17/506353217.db2.gz YCKCVJGYVBPBEN-UHFFFAOYSA-N 1 1 351.903 3.414 20 30 FGEDMO N#Cc1cccc(C2(NC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)CC2)c1 ZINC000498291240 503151191 /nfs/dbraw/zinc/15/11/91/503151191.db2.gz FOGOHNYBWHWBBV-LJQANCHMSA-N 1 1 352.482 3.111 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510944446 503223300 /nfs/dbraw/zinc/22/33/00/503223300.db2.gz GAGOXZLKUSCBND-HIFRSBDPSA-N 1 1 353.388 3.400 20 30 FGEDMO CC(C)(CNc1ncc([N+](=O)[O-])cc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000507188649 503247175 /nfs/dbraw/zinc/24/71/75/503247175.db2.gz PJUWKPXCLVRETF-UHFFFAOYSA-N 1 1 351.410 3.110 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511104944 503255853 /nfs/dbraw/zinc/25/58/53/503255853.db2.gz HPGMJWYRYCYIPX-CYBMUJFWSA-N 1 1 369.387 3.010 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511104944 503255855 /nfs/dbraw/zinc/25/58/55/503255855.db2.gz HPGMJWYRYCYIPX-CYBMUJFWSA-N 1 1 369.387 3.010 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSCC[C@@H]2C)cc1 ZINC000502840651 503286219 /nfs/dbraw/zinc/28/62/19/503286219.db2.gz IZBJWKQBHYPYSQ-INIZCTEOSA-N 1 1 361.511 3.159 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]1C ZINC000498922841 503294226 /nfs/dbraw/zinc/29/42/26/503294226.db2.gz FEUWHWSGGYJHRT-IKGGRYGDSA-N 1 1 374.554 3.434 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000491356538 503299310 /nfs/dbraw/zinc/29/93/10/503299310.db2.gz OACGVSYMVKDHEO-UHFFFAOYSA-N 1 1 355.438 3.275 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000491356538 503299313 /nfs/dbraw/zinc/29/93/13/503299313.db2.gz OACGVSYMVKDHEO-UHFFFAOYSA-N 1 1 355.438 3.275 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000507536029 503317001 /nfs/dbraw/zinc/31/70/01/503317001.db2.gz QKIKFHCVOLRICG-CRAIPNDOSA-N 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503400417 /nfs/dbraw/zinc/40/04/17/503400417.db2.gz UZNNZAPYSKEJIW-UHFFFAOYSA-N 1 1 367.449 3.422 20 30 FGEDMO CN(CC[N@@H+](C)C1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503479724 503418382 /nfs/dbraw/zinc/41/83/82/503418382.db2.gz SODSCGPDYWSQHV-UHFFFAOYSA-N 1 1 369.918 3.097 20 30 FGEDMO COc1cc(NC(=O)CC[N@@H+](C)[C@H]2CCC[C@H]2C#N)c(OC)cc1Cl ZINC000602979248 506372093 /nfs/dbraw/zinc/37/20/93/506372093.db2.gz BILBEFFNONIACK-WFASDCNBSA-N 1 1 365.861 3.310 20 30 FGEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000499677175 503455614 /nfs/dbraw/zinc/45/56/14/503455614.db2.gz AROSTFGGZSYGGI-KRWDZBQOSA-N 1 1 374.554 3.351 20 30 FGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599207385 506373250 /nfs/dbraw/zinc/37/32/50/506373250.db2.gz UOIPQZQNXMXYMV-FQEVSTJZSA-N 1 1 354.498 3.497 20 30 FGEDMO CCN(C(=O)Cc1noc(C)c1C#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000499773730 503479131 /nfs/dbraw/zinc/47/91/31/503479131.db2.gz ANOCTMFNUYZEQH-MAUKXSAKSA-N 1 1 366.465 3.081 20 30 FGEDMO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508464407 503498618 /nfs/dbraw/zinc/49/86/18/503498618.db2.gz MAFWHBMNQPAPCJ-HNNXBMFYSA-N 1 1 371.460 3.028 20 30 FGEDMO C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508478708 503501827 /nfs/dbraw/zinc/50/18/27/503501827.db2.gz SUJVBABOBCINHO-QGZVFWFLSA-N 1 1 357.502 3.010 20 30 FGEDMO COCC[N@@H+](C)CC[C@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000508498061 503506129 /nfs/dbraw/zinc/50/61/29/503506129.db2.gz PKEDCWPDOVVZOS-IBGZPJMESA-N 1 1 372.513 3.031 20 30 FGEDMO OCC[N@H+](CC#Cc1ccccc1)Cc1cc(Br)cs1 ZINC000494280377 503518843 /nfs/dbraw/zinc/51/88/43/503518843.db2.gz UVOVRAINPAJIST-UHFFFAOYSA-N 1 1 350.281 3.357 20 30 FGEDMO OCC[N@@H+](CC#Cc1ccccc1)Cc1cc(Br)cs1 ZINC000494280377 503518847 /nfs/dbraw/zinc/51/88/47/503518847.db2.gz UVOVRAINPAJIST-UHFFFAOYSA-N 1 1 350.281 3.357 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(OCc3ccccc3)c2)C1=O ZINC000500021485 503534877 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FGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)COc1ccccc1F ZINC000512512744 503573846 /nfs/dbraw/zinc/57/38/46/503573846.db2.gz ZJELAHWFAICFPR-SFHVURJKSA-N 1 1 361.461 3.421 20 30 FGEDMO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000508875102 503585190 /nfs/dbraw/zinc/58/51/90/503585190.db2.gz TWIXYYGWXXJRRK-KRWDZBQOSA-N 1 1 369.513 3.308 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000494668286 503588654 /nfs/dbraw/zinc/58/86/54/503588654.db2.gz QWIZFBILMNMRPF-OAQYLSRUSA-N 1 1 370.541 3.074 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(OC)c(C#N)c1 ZINC000516815270 503592144 /nfs/dbraw/zinc/59/21/44/503592144.db2.gz MDBAZHVHYGRULD-OAQYLSRUSA-N 1 1 364.493 3.448 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494704378 503596698 /nfs/dbraw/zinc/59/66/98/503596698.db2.gz RKTQHFVNQZFCSM-DYVFJYSZSA-N 1 1 361.873 3.430 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494704378 503596702 /nfs/dbraw/zinc/59/67/02/503596702.db2.gz RKTQHFVNQZFCSM-DYVFJYSZSA-N 1 1 361.873 3.430 20 30 FGEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000593081074 506381886 /nfs/dbraw/zinc/38/18/86/506381886.db2.gz GULWGXJKJRHQPK-GHTZIAJQSA-N 1 1 357.498 3.147 20 30 FGEDMO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806214 503635642 /nfs/dbraw/zinc/63/56/42/503635642.db2.gz SBMBGNYGLOIVAU-CQSZACIVSA-N 1 1 361.461 3.234 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512851917 503645029 /nfs/dbraw/zinc/64/50/29/503645029.db2.gz QXECOJMAXDLCPW-ZIAGYGMSSA-N 1 1 358.454 3.212 20 30 FGEDMO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000532925340 503658906 /nfs/dbraw/zinc/65/89/06/503658906.db2.gz SVRCONHTCYSHAT-MRXNPFEDSA-N 1 1 355.463 3.274 20 30 FGEDMO COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)Nc2sccc2C#N)c1 ZINC000532925340 503658912 /nfs/dbraw/zinc/65/89/12/503658912.db2.gz SVRCONHTCYSHAT-MRXNPFEDSA-N 1 1 355.463 3.274 20 30 FGEDMO 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CN(CCC[N@@H+](C)Cc1ccncc1)c1ncc(Br)cc1C#N ZINC000603400037 506502534 /nfs/dbraw/zinc/50/25/34/506502534.db2.gz IICZTDTZNCYMHU-UHFFFAOYSA-N 1 1 374.286 3.069 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3nccc(C#N)c3[N+](=O)[O-])C2)s1 ZINC000603403749 506505056 /nfs/dbraw/zinc/50/50/56/506505056.db2.gz XZVOLXVWNKMTFP-AWEZNQCLSA-N 1 1 371.466 3.190 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@H]3C3CCOCC3)o2)c1 ZINC000582961278 506512295 /nfs/dbraw/zinc/51/22/95/506512295.db2.gz ZOSARQPYNARDPC-LJQANCHMSA-N 1 1 364.449 3.389 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cccc(C#N)n2)C1 ZINC000589316163 506514775 /nfs/dbraw/zinc/51/47/75/506514775.db2.gz XARHBTWZNZNGKJ-CALCHBBNSA-N 1 1 362.477 3.361 20 30 FGEDMO C[C@H](c1ccc(NC(=O)N2CCC[C@H](CC#N)C2)cc1)[NH+]1CCOCC1 ZINC000596739610 506571596 /nfs/dbraw/zinc/57/15/96/506571596.db2.gz ZZSUBNWBFUTRDP-IAGOWNOFSA-N 1 1 356.470 3.237 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3c(C#N)cnc4ccccc43)c2)CCO1 ZINC000589566347 506588412 /nfs/dbraw/zinc/58/84/12/506588412.db2.gz DZKAKBDWSVRNDH-QGZVFWFLSA-N 1 1 372.472 3.361 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3c(C#N)cnc4ccccc43)c2)CCO1 ZINC000589566347 506588416 /nfs/dbraw/zinc/58/84/16/506588416.db2.gz DZKAKBDWSVRNDH-QGZVFWFLSA-N 1 1 372.472 3.361 20 30 FGEDMO C[C@@H](NC(=O)N1Cc2cccc(C#N)c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000593388039 506592987 /nfs/dbraw/zinc/59/29/87/506592987.db2.gz CSENGDFHRXWZCK-NVXWUHKLSA-N 1 1 352.482 3.236 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000603681222 506594073 /nfs/dbraw/zinc/59/40/73/506594073.db2.gz WVXLJBZFSPHJSR-UHFFFAOYSA-N 1 1 351.450 3.095 20 30 FGEDMO N#Cc1cccc2c1CN(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC000593400217 506600486 /nfs/dbraw/zinc/60/04/86/506600486.db2.gz OWVKQTVVVXJZNE-LJQANCHMSA-N 1 1 352.482 3.381 20 30 FGEDMO C[C@@H]1[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)CC[N@H+]1Cc1ccccc1 ZINC000593405590 506603911 /nfs/dbraw/zinc/60/39/11/506603911.db2.gz WLKSSYNDOUGCTA-IERDGZPVSA-N 1 1 360.461 3.246 20 30 FGEDMO CC(C)(C#N)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000599743839 506613004 /nfs/dbraw/zinc/61/30/04/506613004.db2.gz FLMNCBJSKRDGSH-IAGOWNOFSA-N 1 1 368.506 3.025 20 30 FGEDMO N#Cc1cccc(C2(NC(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)c1 ZINC000596831511 506624852 /nfs/dbraw/zinc/62/48/52/506624852.db2.gz ZGOWMFVMMUFRPH-GOSISDBHSA-N 1 1 352.482 3.254 20 30 FGEDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000603827899 506627771 /nfs/dbraw/zinc/62/77/71/506627771.db2.gz WITYAPXYMOVJRX-MRXNPFEDSA-N 1 1 369.494 3.069 20 30 FGEDMO COc1cc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c(F)cc1C#N ZINC000599818946 506655456 /nfs/dbraw/zinc/65/54/56/506655456.db2.gz BYGONOKKQYRILL-UHFFFAOYSA-N 1 1 370.428 3.350 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)nc1 ZINC000590004524 506703953 /nfs/dbraw/zinc/70/39/53/506703953.db2.gz DZSSPGWVOCCXPR-YADHBBJMSA-N 1 1 373.456 3.163 20 30 FGEDMO N#Cc1ccc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000593669520 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506804781 /nfs/dbraw/zinc/80/47/81/506804781.db2.gz RYCANZBBRSYPEZ-FQEVSTJZSA-N 1 1 358.388 3.394 20 30 FGEDMO N#Cc1cccc2c1CN(C(=O)[C@@H]1CCC[N@H+](Cc3cccc(F)c3)C1)C2 ZINC000593890187 506822345 /nfs/dbraw/zinc/82/23/45/506822345.db2.gz ANXCWDVZZGZGSU-LJQANCHMSA-N 1 1 363.436 3.452 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609239973 506823796 /nfs/dbraw/zinc/82/37/96/506823796.db2.gz GMGHDOBLOMJSHH-DNVCBOLYSA-N 1 1 366.440 3.332 20 30 FGEDMO C[C@@H]1CN(C(=O)c2cc3ccccc3n2CC#N)CC[N@H+](C2CCC2)C1 ZINC000590452384 506828134 /nfs/dbraw/zinc/82/81/34/506828134.db2.gz VLPORFJBHWIOEO-INIZCTEOSA-N 1 1 350.466 3.111 20 30 FGEDMO CN(c1nnc(-c2ccc(C#N)cc2)n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583533385 506830822 /nfs/dbraw/zinc/83/08/22/506830822.db2.gz QSBFBGVWSAWQRL-FQEVSTJZSA-N 1 1 372.476 3.064 20 30 FGEDMO COc1cc(-c2noc([C@H]([NH3+])CCCCC#N)n2)ccc1OC(F)F ZINC000593943248 506839772 /nfs/dbraw/zinc/83/97/72/506839772.db2.gz LJZQQFTYCVOFRW-LLVKDONJSA-N 1 1 352.341 3.430 20 30 FGEDMO CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC2(C#N)CCCCC2)C1 ZINC000597225657 506846456 /nfs/dbraw/zinc/84/64/56/506846456.db2.gz RYWQSOQGJHZUEW-UHFFFAOYSA-N 1 1 364.486 3.102 20 30 FGEDMO COc1cccc(C[N@@H+](CC(C)C)C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000604494653 506851605 /nfs/dbraw/zinc/85/16/05/506851605.db2.gz QWDJMNCELHLABD-FQEVSTJZSA-N 1 1 368.477 3.465 20 30 FGEDMO COCC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C)cc1C ZINC000604503462 506854963 /nfs/dbraw/zinc/85/49/63/506854963.db2.gz WENAOEYFASYRGQ-UHFFFAOYSA-N 1 1 357.498 3.095 20 30 FGEDMO COCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C)cc1C ZINC000604503462 506854967 /nfs/dbraw/zinc/85/49/67/506854967.db2.gz WENAOEYFASYRGQ-UHFFFAOYSA-N 1 1 357.498 3.095 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000609391253 506873105 /nfs/dbraw/zinc/87/31/05/506873105.db2.gz IZVWCYDIQHKFTC-INIZCTEOSA-N 1 1 369.494 3.069 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000604560324 506875154 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FGEDMO C=CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431548 506880276 /nfs/dbraw/zinc/88/02/76/506880276.db2.gz JHQUZZOOBPCHRC-HNNXBMFYSA-N 1 1 364.409 3.320 20 30 FGEDMO N#Cc1ccccc1OCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000594014326 506882762 /nfs/dbraw/zinc/88/27/62/506882762.db2.gz ZGLBNGVAGHGCKD-MXVIHJGJSA-N 1 1 366.461 3.448 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000594014496 506883405 /nfs/dbraw/zinc/88/34/05/506883405.db2.gz SOZQEDFKDVEMPS-OFAXGOBFSA-N 1 1 373.500 3.327 20 30 FGEDMO N#Cc1cc2c(nc1N[C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCOC2 ZINC000590697148 506914410 /nfs/dbraw/zinc/91/44/10/506914410.db2.gz HNEANMDNQKFZNW-UCNVEGJOSA-N 1 1 374.488 3.348 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000597371693 506918123 /nfs/dbraw/zinc/91/81/23/506918123.db2.gz JUJMQDGLTMECPK-BBRMVZONSA-N 1 1 355.388 3.229 20 30 FGEDMO 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QODZKHUVYROBQD-RBUKOAKNSA-N 1 1 374.448 3.017 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822802354 606452373 /nfs/dbraw/zinc/45/23/73/606452373.db2.gz ZNHFHEGQKRTIRZ-VQTJNVASSA-N 1 1 374.448 3.017 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822802354 606452374 /nfs/dbraw/zinc/45/23/74/606452374.db2.gz ZNHFHEGQKRTIRZ-VQTJNVASSA-N 1 1 374.448 3.017 20 30 FGEDMO CC[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000821222001 606963868 /nfs/dbraw/zinc/96/38/68/606963868.db2.gz NEVQVLNPCMDFNL-CYBMUJFWSA-N 1 1 350.401 3.461 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(C)cc(OC)c1O ZINC000823914118 607846016 /nfs/dbraw/zinc/84/60/16/607846016.db2.gz AOUBWSNBAMOIOQ-UHFFFAOYSA-N 1 1 365.437 3.078 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H]3CCCC[C@H]31)CCC2 ZINC000103470045 700486085 /nfs/dbraw/zinc/48/60/85/700486085.db2.gz SOFGAYRZKQNDEH-CVEARBPZSA-N 1 1 359.495 3.080 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H]3CCCC[C@@H]31)CCC2 ZINC000103470046 700486120 /nfs/dbraw/zinc/48/61/20/700486120.db2.gz SOFGAYRZKQNDEH-JKSUJKDBSA-N 1 1 359.495 3.080 20 30 FGEDMO C#CCSCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000119950726 700643861 /nfs/dbraw/zinc/64/38/61/700643861.db2.gz PLOFFLUYTDNDTG-KRWDZBQOSA-N 1 1 351.560 3.039 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000126957857 700755251 /nfs/dbraw/zinc/75/52/51/700755251.db2.gz SGMCJCQTLZQCLT-FQEVSTJZSA-N 1 1 355.869 3.063 20 30 FGEDMO N#Cc1ccc([C@H](O)C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000164034645 705324028 /nfs/dbraw/zinc/32/40/28/705324028.db2.gz QISBUGWAVSJDJQ-HXUWFJFHSA-N 1 1 355.869 3.063 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c1O ZINC000164461868 705329460 /nfs/dbraw/zinc/32/94/60/705329460.db2.gz XDHXMPLLRKHWOL-VWLOTQADSA-N 1 1 359.491 3.499 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000178869066 705679085 /nfs/dbraw/zinc/67/90/85/705679085.db2.gz FNMUAJFWGKEMFL-UHFFFAOYSA-N 1 1 363.310 3.063 20 30 FGEDMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2nc(C)cc(C)c2C#N)C1 ZINC000192790657 712873603 /nfs/dbraw/zinc/87/36/03/712873603.db2.gz IXRZZFOQDCJMMF-INIZCTEOSA-N 1 1 355.511 3.293 20 30 FGEDMO CON=Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000255062707 713682553 /nfs/dbraw/zinc/68/25/53/713682553.db2.gz PDAJZHUGAXASQH-SFHVURJKSA-N 1 1 359.857 3.353 20 30 FGEDMO C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000328624678 713825300 /nfs/dbraw/zinc/82/53/00/713825300.db2.gz ZTRXZJRORQUDQS-LMMKCTJWSA-N 1 1 351.535 3.492 20 30 FGEDMO COc1cc2nc(C)sc2cc1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000328623352 713825346 /nfs/dbraw/zinc/82/53/46/713825346.db2.gz YTZCJUYQMROGDR-ZDUSSCGKSA-N 1 1 362.499 3.432 20 30 FGEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CCc4cnn(C)c4C3)sc2C1 ZINC000328819097 713826097 /nfs/dbraw/zinc/82/60/97/713826097.db2.gz OJQPYYHCSISBJS-LBPRGKRZSA-N 1 1 359.499 3.036 20 30 FGEDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3CCc4cnn(C)c4C3)sc2C1 ZINC000328819097 713826102 /nfs/dbraw/zinc/82/61/02/713826102.db2.gz OJQPYYHCSISBJS-LBPRGKRZSA-N 1 1 359.499 3.036 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)NCC2CCC(C#N)CC2)[C@H]1c1cccs1 ZINC000374071710 713898110 /nfs/dbraw/zinc/89/81/10/713898110.db2.gz JAMUWZDFBNWEHW-IOTAOYMUSA-N 1 1 360.527 3.370 20 30 FGEDMO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCOCCC#N)CC1 ZINC000577739524 714468508 /nfs/dbraw/zinc/46/85/08/714468508.db2.gz RIWJYINJUNSHNI-HNNXBMFYSA-N 1 1 366.303 3.058 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619769299 714869501 /nfs/dbraw/zinc/86/95/01/714869501.db2.gz WJEGBPZPWUYTBN-MRXNPFEDSA-N 1 1 362.905 3.379 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000625703452 715775572 /nfs/dbraw/zinc/77/55/72/715775572.db2.gz GYCJSHDJLVCUIW-WFASDCNBSA-N 1 1 369.328 3.306 20 30 FGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000625704042 715776212 /nfs/dbraw/zinc/77/62/12/715776212.db2.gz MXFDCQSIJOYDBW-MRXNPFEDSA-N 1 1 350.384 3.071 20 30 FGEDMO FC(F)(F)CC[NH+]1CCC(=NNC(=S)NCc2ccccc2)CC1 ZINC000779757433 724425347 /nfs/dbraw/zinc/42/53/47/724425347.db2.gz AAWTVILSYFUXDY-UHFFFAOYSA-N 1 1 358.433 3.055 20 30 FGEDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000795473716 723593932 /nfs/dbraw/zinc/59/39/32/723593932.db2.gz NKXCGTCEAKSPDF-UHFFFAOYSA-N 1 1 351.797 3.031 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2ncncc2Cl)c1C ZINC000780275570 724456343 /nfs/dbraw/zinc/45/63/43/724456343.db2.gz RBXKTRTVQRPHKJ-MRXNPFEDSA-N 1 1 360.893 3.479 20 30 FGEDMO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000660930335 720148567 /nfs/dbraw/zinc/14/85/67/720148567.db2.gz KARPIOIZWZJWNZ-RDJZCZTQSA-N 1 1 350.384 3.048 20 30 FGEDMO C=C[C@H](CO)[NH2+]Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000662166939 720387090 /nfs/dbraw/zinc/38/70/90/720387090.db2.gz MKKXQISXRSTVQJ-CQSZACIVSA-N 1 1 355.463 3.317 20 30 FGEDMO N#CC1(c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2)CCC1 ZINC001164783419 721410143 /nfs/dbraw/zinc/41/01/43/721410143.db2.gz IGOIRNLBPYJTGE-HZPDHXFCSA-N 1 1 365.506 3.052 20 30 FGEDMO N#Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164901774 721514355 /nfs/dbraw/zinc/51/43/55/721514355.db2.gz YPHJEVDXTRSUMR-DOTOQJQBSA-N 1 1 372.831 3.088 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(CC#N)ccn1)C2 ZINC001164908971 721758207 /nfs/dbraw/zinc/75/82/07/721758207.db2.gz AREKQESWQDLNNL-UHFFFAOYSA-N 1 1 373.460 3.330 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(CC#N)ccn1)C2 ZINC001164908971 721758212 /nfs/dbraw/zinc/75/82/12/721758212.db2.gz AREKQESWQDLNNL-UHFFFAOYSA-N 1 1 373.460 3.330 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(CC#N)ccn3)C[C@@H]21 ZINC001165028334 721819145 /nfs/dbraw/zinc/81/91/45/721819145.db2.gz XNWKRTZPHBIHLD-SESVDKBCSA-N 1 1 361.493 3.280 20 30 FGEDMO C=CC[NH+]1CCN([C@H](F)Oc2cccc(-c3ccc(Cl)nn3)c2)CC1 ZINC001165035581 721872192 /nfs/dbraw/zinc/87/21/92/721872192.db2.gz WBWKNUDOMZTYAE-SFHVURJKSA-N 1 1 362.836 3.233 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[NH+]2CC(CC(F)(F)F)C2)c(OC)c1 ZINC000680534784 722129154 /nfs/dbraw/zinc/12/91/54/722129154.db2.gz DNTGBHFZBZPFSM-HNNXBMFYSA-N 1 1 359.388 3.048 20 30 FGEDMO C#CC[N@@H+](C[C@H]1CCOC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195307 722493735 /nfs/dbraw/zinc/49/37/35/722493735.db2.gz JJMJOUTYQMWODQ-CZUORRHYSA-N 1 1 350.256 3.244 20 30 FGEDMO C#CC[N@H+](C[C@H]1CCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733197201 722493825 /nfs/dbraw/zinc/49/38/25/722493825.db2.gz QFUCPXUKCYJXAT-ZBFHGGJFSA-N 1 1 350.256 3.387 20 30 FGEDMO C#CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733197201 722493826 /nfs/dbraw/zinc/49/38/26/722493826.db2.gz QFUCPXUKCYJXAT-ZBFHGGJFSA-N 1 1 350.256 3.387 20 30 FGEDMO C=C(C)CNC(=S)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903575 722502108 /nfs/dbraw/zinc/50/21/08/722502108.db2.gz GUXVZSMADIUWIY-OAHLLOKOSA-N 1 1 357.445 3.320 20 30 FGEDMO C[C@H]1CC(=NNC(=S)NCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000734296196 722505844 /nfs/dbraw/zinc/50/58/44/722505844.db2.gz OETRQXVBFDWDMF-LBPRGKRZSA-N 1 1 358.433 3.053 20 30 FGEDMO C#CCSCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000740029040 722534830 /nfs/dbraw/zinc/53/48/30/722534830.db2.gz ARYOCHKRSUQDSP-KRWDZBQOSA-N 1 1 359.539 3.227 20 30 FGEDMO C[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740474429 722536335 /nfs/dbraw/zinc/53/63/35/722536335.db2.gz JCMXBWNPPNPJBZ-INIZCTEOSA-N 1 1 354.479 3.180 20 30 FGEDMO COc1ccc([C@H]2[C@H](COC(=O)c3cc(C#N)cs3)CC[N@H+]2C)cc1 ZINC000752184599 722847916 /nfs/dbraw/zinc/84/79/16/722847916.db2.gz KZZPKUQQOSWCIJ-YJBOKZPZSA-N 1 1 356.447 3.478 20 30 FGEDMO CCOC(=O)C(F)(F)[C@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000752746742 722869576 /nfs/dbraw/zinc/86/95/76/722869576.db2.gz JVFORVVCYFRMKZ-VIFPVBQESA-N 1 1 364.190 3.238 20 30 FGEDMO CCOCCC[N@H+]1CCC(N=Nc2ccc(C(F)(F)F)nn2)[C@@H](C)C1 ZINC000754711381 722944808 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CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc(Cl)cc1C#N ZINC000772168619 723752826 /nfs/dbraw/zinc/75/28/26/723752826.db2.gz YZKARULROFVXCW-KRWDZBQOSA-N 1 1 350.846 3.048 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@@H]1CCCO1 ZINC000775343984 723983486 /nfs/dbraw/zinc/98/34/86/723983486.db2.gz BBKCRQDEKXNYCQ-MSOLQXFVSA-N 1 1 374.282 3.214 20 30 FGEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000799139288 723990249 /nfs/dbraw/zinc/99/02/49/723990249.db2.gz NPTMNWIQUBZAGB-MRXNPFEDSA-N 1 1 351.491 3.028 20 30 FGEDMO CC(=NNCCC[NH+]1CCOCC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000799490097 724034212 /nfs/dbraw/zinc/03/42/12/724034212.db2.gz PEYDUBOOFUYPJV-CQSZACIVSA-N 1 1 374.312 3.449 20 30 FGEDMO C=CC[N@H+](Cn1c2ccc(I)cc2oc1=O)C(C)C ZINC000777953712 724274638 /nfs/dbraw/zinc/27/46/38/724274638.db2.gz JRWIBLHQASLEMQ-UHFFFAOYSA-N 1 1 372.206 3.053 20 30 FGEDMO C=CC[N@@H+](Cn1c2ccc(I)cc2oc1=O)C(C)C ZINC000777953712 724274642 /nfs/dbraw/zinc/27/46/42/724274642.db2.gz 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20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(COc2ccccn2)CC1 ZINC000081098683 493832701 /nfs/dbraw/zinc/83/27/01/493832701.db2.gz FYWKDHSUJFCISZ-INIZCTEOSA-N 1 1 364.449 3.071 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000076152826 493833636 /nfs/dbraw/zinc/83/36/36/493833636.db2.gz SOVBAILYQALVNV-CEWLAPEOSA-N 1 1 354.425 3.337 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000076152826 493833639 /nfs/dbraw/zinc/83/36/39/493833639.db2.gz SOVBAILYQALVNV-CEWLAPEOSA-N 1 1 354.425 3.337 20 30 FGEDMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000081112796 493835213 /nfs/dbraw/zinc/83/52/13/493835213.db2.gz RWNOYWSEOXXGLM-FCHUYYIVSA-N 1 1 359.473 3.315 20 30 FGEDMO Cc1cc(C)c(C#N)c(NCCC[NH+]2CCN(Cc3ccccc3)CC2)n1 ZINC000029585873 493845842 /nfs/dbraw/zinc/84/58/42/493845842.db2.gz RCLKVIQMVGYJLS-UHFFFAOYSA-N 1 1 363.509 3.190 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000058490592 493858907 /nfs/dbraw/zinc/85/89/07/493858907.db2.gz PORDWYPGKNOMRL-QGZVFWFLSA-N 1 1 365.433 3.049 20 30 FGEDMO Cc1oc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000029985457 493871885 /nfs/dbraw/zinc/87/18/85/493871885.db2.gz SZOHAUDHGCRIKC-UHFFFAOYSA-N 1 1 351.450 3.425 20 30 FGEDMO Cc1oc(C)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000029985457 493871887 /nfs/dbraw/zinc/87/18/87/493871887.db2.gz SZOHAUDHGCRIKC-UHFFFAOYSA-N 1 1 351.450 3.425 20 30 FGEDMO CC(C)CCO[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000068846628 493885185 /nfs/dbraw/zinc/88/51/85/493885185.db2.gz ONIIQRQKKQSHOT-GOSISDBHSA-N 1 1 357.498 3.044 20 30 FGEDMO CC(C)CCO[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000068846628 493885186 /nfs/dbraw/zinc/88/51/86/493885186.db2.gz ONIIQRQKKQSHOT-GOSISDBHSA-N 1 1 357.498 3.044 20 30 FGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513522 493907776 /nfs/dbraw/zinc/90/77/76/493907776.db2.gz MVYCVOFAXOWPMN-LPHOPBHVSA-N 1 1 354.475 3.210 20 30 FGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000081513522 493907778 /nfs/dbraw/zinc/90/77/78/493907778.db2.gz MVYCVOFAXOWPMN-LPHOPBHVSA-N 1 1 354.475 3.210 20 30 FGEDMO CC[N@@H+](CC(=O)NCc1ccccc1COC)[C@H](C)c1ccc(C#N)cc1 ZINC000060469582 493936940 /nfs/dbraw/zinc/93/69/40/493936940.db2.gz IMMISONNRYFUOW-QGZVFWFLSA-N 1 1 365.477 3.404 20 30 FGEDMO C=CCN(CC(F)(F)F)C(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000069358320 493962604 /nfs/dbraw/zinc/96/26/04/493962604.db2.gz DCQVVKHCXGWGGQ-UHFFFAOYSA-N 1 1 373.394 3.158 20 30 FGEDMO C[C@@H](CNC(=O)CCc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1 ZINC000031962362 493968479 /nfs/dbraw/zinc/96/84/79/493968479.db2.gz SGPYKUMVHWTHBR-HNNXBMFYSA-N 1 1 353.491 3.115 20 30 FGEDMO C[C@@H](CNC(=O)CCc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000031962362 493968484 /nfs/dbraw/zinc/96/84/84/493968484.db2.gz SGPYKUMVHWTHBR-HNNXBMFYSA-N 1 1 353.491 3.115 20 30 FGEDMO Cc1cccc(OCC[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000083132369 493998755 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COc1cccc([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000052580791 494042382 /nfs/dbraw/zinc/04/23/82/494042382.db2.gz SJLGICGKNWTESU-NRFANRHFSA-N 1 1 363.461 3.362 20 30 FGEDMO COc1cccc([C@@H]2CCCN2C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000052580791 494042385 /nfs/dbraw/zinc/04/23/85/494042385.db2.gz SJLGICGKNWTESU-NRFANRHFSA-N 1 1 363.461 3.362 20 30 FGEDMO CC(C)Oc1cccc(CNC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000052580913 494042853 /nfs/dbraw/zinc/04/28/53/494042853.db2.gz BZEWFSBCFOMYRT-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO CC(C)Oc1cccc(CNC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000052580913 494042854 /nfs/dbraw/zinc/04/28/54/494042854.db2.gz BZEWFSBCFOMYRT-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1)C1CC1 ZINC000052823648 494065845 /nfs/dbraw/zinc/06/58/45/494065845.db2.gz YWYRJJZEBJUVPZ-NRFANRHFSA-N 1 1 366.440 3.205 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1)C1CC1 ZINC000052823648 494065850 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FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ncnc4cccc(F)c43)CC2)cc1 ZINC000054045257 494189939 /nfs/dbraw/zinc/18/99/39/494189939.db2.gz BEESKGRPSYATMB-UHFFFAOYSA-N 1 1 361.424 3.353 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000054271933 494214562 /nfs/dbraw/zinc/21/45/62/494214562.db2.gz ZOLBIUFRURSZPU-UHFFFAOYSA-N 1 1 374.506 3.134 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000054271933 494214566 /nfs/dbraw/zinc/21/45/66/494214566.db2.gz ZOLBIUFRURSZPU-UHFFFAOYSA-N 1 1 374.506 3.134 20 30 FGEDMO CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741477 494240781 /nfs/dbraw/zinc/24/07/81/494240781.db2.gz OLYIURHOGOAGBU-INIZCTEOSA-N 1 1 353.441 3.439 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000072751517 494244441 /nfs/dbraw/zinc/24/44/41/494244441.db2.gz MAVCYNKVHKVLQV-PKOBYXMFSA-N 1 1 372.490 3.041 20 30 FGEDMO CCOc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054831115 494275575 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Cc1nc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)ccc1C#N ZINC000073955248 494455906 /nfs/dbraw/zinc/45/59/06/494455906.db2.gz WXQIBZGTDKCTPY-IBGZPJMESA-N 1 1 368.868 3.482 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000046092021 494493814 /nfs/dbraw/zinc/49/38/14/494493814.db2.gz XOBUPRWCUPKWGM-GOSISDBHSA-N 1 1 355.482 3.051 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021404890 494495299 /nfs/dbraw/zinc/49/52/99/494495299.db2.gz UYVUTOWIWXFYED-GOSISDBHSA-N 1 1 362.477 3.093 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C(C)C)C2CC2)c1C#N ZINC000074237585 494502671 /nfs/dbraw/zinc/50/26/71/494502671.db2.gz HIFRUDHYAIYENR-UHFFFAOYSA-N 1 1 354.454 3.429 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000079771452 494523604 /nfs/dbraw/zinc/52/36/04/494523604.db2.gz WULITVSFWXVXEL-SFHVURJKSA-N 1 1 360.523 3.244 20 30 FGEDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000046518605 494535496 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FGEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)[nH]1 ZINC000151944847 496000122 /nfs/dbraw/zinc/00/01/22/496000122.db2.gz JPAIRQRATVPLEU-GOSISDBHSA-N 1 1 374.448 3.091 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000186445362 496000629 /nfs/dbraw/zinc/00/06/29/496000629.db2.gz MXQVBPKRMVLYNE-QGZVFWFLSA-N 1 1 373.501 3.398 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000177370055 496034988 /nfs/dbraw/zinc/03/49/88/496034988.db2.gz SSTQTGYNRFGYFD-HXUWFJFHSA-N 1 1 352.409 3.226 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC2(O)CCCC2)c1 ZINC000152084313 496042346 /nfs/dbraw/zinc/04/23/46/496042346.db2.gz IJOWBFZDLPDDEZ-SFHVURJKSA-N 1 1 357.498 3.176 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180556926 496042712 /nfs/dbraw/zinc/04/27/12/496042712.db2.gz LUFDNIABECKZKI-SWLSCSKDSA-N 1 1 359.367 3.417 20 30 FGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000577932892 505821199 /nfs/dbraw/zinc/82/11/99/505821199.db2.gz RVNNEQPRHDSZTB-MRXNPFEDSA-N 1 1 351.372 3.100 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000577932892 505821201 /nfs/dbraw/zinc/82/12/01/505821201.db2.gz RVNNEQPRHDSZTB-MRXNPFEDSA-N 1 1 351.372 3.100 20 30 FGEDMO N#Cc1c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cn2ccccc12 ZINC000155787862 496068793 /nfs/dbraw/zinc/06/87/93/496068793.db2.gz NOEDUEFDPQMWEX-MRXNPFEDSA-N 1 1 356.433 3.233 20 30 FGEDMO COc1ccc(C#N)cc1CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000155915186 496105700 /nfs/dbraw/zinc/10/57/00/496105700.db2.gz LUUDUORUZZWWNB-HDICACEKSA-N 1 1 371.525 3.278 20 30 FGEDMO COc1ccc(C#N)cc1CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000155915186 496105701 /nfs/dbraw/zinc/10/57/01/496105701.db2.gz LUUDUORUZZWWNB-HDICACEKSA-N 1 1 371.525 3.278 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000186699221 496113143 /nfs/dbraw/zinc/11/31/43/496113143.db2.gz CNGQMLYPLIJINI-GGAORHGYSA-N 1 1 373.456 3.185 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000186699221 496113145 /nfs/dbraw/zinc/11/31/45/496113145.db2.gz CNGQMLYPLIJINI-GGAORHGYSA-N 1 1 373.456 3.185 20 30 FGEDMO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CCCC(C)(C)C#N ZINC000174836343 496127586 /nfs/dbraw/zinc/12/75/86/496127586.db2.gz IINMMUDCOWIZMM-UHFFFAOYSA-N 1 1 352.500 3.121 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C2CC2)C[C@H]1C ZINC000568992462 505825725 /nfs/dbraw/zinc/82/57/25/505825725.db2.gz LDOHJGNVBUPCOJ-HUUCEWRRSA-N 1 1 350.470 3.071 20 30 FGEDMO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000177696721 496162784 /nfs/dbraw/zinc/16/27/84/496162784.db2.gz GEEIWNUADBAVQE-CQSZACIVSA-N 1 1 358.486 3.361 20 30 FGEDMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000172217000 496213407 /nfs/dbraw/zinc/21/34/07/496213407.db2.gz PQMXJDOYKREGGJ-FQEVSTJZSA-N 1 1 363.461 3.351 20 30 FGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1OCC(=O)N(C)C ZINC000177859937 496226781 /nfs/dbraw/zinc/22/67/81/496226781.db2.gz UTHZJEPCPQZPPH-IBGZPJMESA-N 1 1 369.440 3.405 20 30 FGEDMO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000161906775 496260982 /nfs/dbraw/zinc/26/09/82/496260982.db2.gz TXJSVJLTZZNKSU-BZNIZROVSA-N 1 1 358.239 3.198 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000152814786 496264794 /nfs/dbraw/zinc/26/47/94/496264794.db2.gz LCAMMIMUJYMIJN-QAPCUYQASA-N 1 1 361.873 3.088 20 30 FGEDMO N#Cc1ccc([C@H](O)C[NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cc1 ZINC000156512159 496265609 /nfs/dbraw/zinc/26/56/09/496265609.db2.gz LFFNAAJNUAAKKE-OAHLLOKOSA-N 1 1 364.371 3.213 20 30 FGEDMO N#CCSCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000162171003 496307992 /nfs/dbraw/zinc/30/79/92/496307992.db2.gz PQJFEYDAJDKNBR-UHFFFAOYSA-N 1 1 363.486 3.157 20 30 FGEDMO N#CC1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000181440486 496396011 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FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)Nc3cccc(Cl)c3)C2)nc1 ZINC000580988560 505884039 /nfs/dbraw/zinc/88/40/39/505884039.db2.gz OKEUIPGWGHHRSO-KRWDZBQOSA-N 1 1 370.840 3.089 20 30 FGEDMO C=CCCCCNC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000274513788 497114972 /nfs/dbraw/zinc/11/49/72/497114972.db2.gz LWWUIJKZOOWTPS-UHFFFAOYSA-N 1 1 368.481 3.466 20 30 FGEDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000189438920 497118399 /nfs/dbraw/zinc/11/83/99/497118399.db2.gz GXWOOJKOZUZVHP-AWEZNQCLSA-N 1 1 373.451 3.070 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(OCC#N)c2)[C@@H]1c1ccccc1 ZINC000270491781 497139364 /nfs/dbraw/zinc/13/93/64/497139364.db2.gz JLGAUPCGZYLXRK-OALUTQOASA-N 1 1 350.422 3.156 20 30 FGEDMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000278616573 497169496 /nfs/dbraw/zinc/16/94/96/497169496.db2.gz NAANYEDEHQOBAK-TZMCWYRMSA-N 1 1 350.260 3.320 20 30 FGEDMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000278616573 497169501 /nfs/dbraw/zinc/16/95/01/497169501.db2.gz NAANYEDEHQOBAK-TZMCWYRMSA-N 1 1 350.260 3.320 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278726477 497201637 /nfs/dbraw/zinc/20/16/37/497201637.db2.gz TYXITMLPVJZUID-GOSISDBHSA-N 1 1 366.513 3.213 20 30 FGEDMO N#CC(CC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)(c1ccccc1)c1ccccc1 ZINC000278828378 497234343 /nfs/dbraw/zinc/23/43/43/497234343.db2.gz IDEVMBISGRVDIN-JOCHJYFZSA-N 1 1 359.473 3.098 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H](C)C1 ZINC000278940464 497275250 /nfs/dbraw/zinc/27/52/50/497275250.db2.gz CXDVFYICJVMOOI-RDTXWAMCSA-N 1 1 352.438 3.016 20 30 FGEDMO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000278970561 497285808 /nfs/dbraw/zinc/28/58/08/497285808.db2.gz QANOAMWRPNCUNO-CMPLNLGQSA-N 1 1 371.384 3.124 20 30 FGEDMO C[C@@H]1CCN(C(=O)c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000189984651 497315262 /nfs/dbraw/zinc/31/52/62/497315262.db2.gz VVJCWQXTCWQFDZ-MRXNPFEDSA-N 1 1 351.425 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CC[N@H+]1CC[C@H](N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)C1 ZINC000245432262 497402080 /nfs/dbraw/zinc/40/20/80/497402080.db2.gz ONBUUYZMKJOBSA-ICSRJNTNSA-N 1 1 370.541 3.212 20 30 FGEDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000245431851 497402796 /nfs/dbraw/zinc/40/27/96/497402796.db2.gz AYNNMBVQAJFZKK-IAGOWNOFSA-N 1 1 374.554 3.150 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000578286970 505904832 /nfs/dbraw/zinc/90/48/32/505904832.db2.gz XCTBYHKIJQQWRR-GFCCVEGCSA-N 1 1 370.375 3.309 20 30 FGEDMO CN(C(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1)c1nc2ccccc2s1 ZINC000271757008 497439531 /nfs/dbraw/zinc/43/95/31/497439531.db2.gz HAMGNHVQRYISCW-UHFFFAOYSA-N 1 1 362.458 3.410 20 30 FGEDMO C[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245546658 497449690 /nfs/dbraw/zinc/44/96/90/497449690.db2.gz MHRVLQFCFQQZTL-IAGOWNOFSA-N 1 1 351.498 3.169 20 30 FGEDMO C[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000245546658 497449695 /nfs/dbraw/zinc/44/96/95/497449695.db2.gz MHRVLQFCFQQZTL-IAGOWNOFSA-N 1 1 351.498 3.169 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245563655 497458435 /nfs/dbraw/zinc/45/84/35/497458435.db2.gz CZAXIDLGIZUVQB-TUKJNDCMSA-N 1 1 371.529 3.085 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)nc1 ZINC000575068200 505913970 /nfs/dbraw/zinc/91/39/70/505913970.db2.gz BLGUSVFEQMPIFT-OAHLLOKOSA-N 1 1 371.824 3.031 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)nc1 ZINC000575068200 505913973 /nfs/dbraw/zinc/91/39/73/505913973.db2.gz BLGUSVFEQMPIFT-OAHLLOKOSA-N 1 1 371.824 3.031 20 30 FGEDMO CCN1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936058 497578908 /nfs/dbraw/zinc/57/89/08/497578908.db2.gz JCKLUZZFLPFKDQ-JXFKEZNVSA-N 1 1 351.498 3.121 20 30 FGEDMO CCN1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936058 497578913 /nfs/dbraw/zinc/57/89/13/497578913.db2.gz 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371.525 3.444 20 30 FGEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000367430287 499197986 /nfs/dbraw/zinc/19/79/86/499197986.db2.gz KFSYOPITEAAHGU-UHFFFAOYSA-N 1 1 371.525 3.444 20 30 FGEDMO Cn1cc[nH+]c1[C@@H]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000367842460 499237495 /nfs/dbraw/zinc/23/74/95/499237495.db2.gz NEGLLMADAMKKFO-SNVBAGLBSA-N 1 1 357.339 3.251 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000367985120 499252193 /nfs/dbraw/zinc/25/21/93/499252193.db2.gz KIXYTZUASBNFFX-CRAIPNDOSA-N 1 1 359.433 3.182 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000367985120 499252195 /nfs/dbraw/zinc/25/21/95/499252195.db2.gz KIXYTZUASBNFFX-CRAIPNDOSA-N 1 1 359.433 3.182 20 30 FGEDMO N#CCCn1cc(C(=O)C[NH+]2CCC([C@H]3CCOC3)CC2)c2ccccc21 ZINC000368272793 499280380 /nfs/dbraw/zinc/28/03/80/499280380.db2.gz ODNJQAGSDFXNGR-SFHVURJKSA-N 1 1 365.477 3.486 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCc3[nH+]ccn32)cc1 ZINC000368278983 499280774 /nfs/dbraw/zinc/28/07/74/499280774.db2.gz KOLABDBZOVQQOA-GOSISDBHSA-N 1 1 364.449 3.213 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000371253077 499302955 /nfs/dbraw/zinc/30/29/55/499302955.db2.gz ZSULUJBEMDVIIC-SCLBCKFNSA-N 1 1 372.831 3.169 20 30 FGEDMO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000371385097 499318844 /nfs/dbraw/zinc/31/88/44/499318844.db2.gz WARVBVLTXJHQEF-HNAYVOBHSA-N 1 1 353.470 3.241 20 30 FGEDMO Cc1ncc(C[N@@H+]2CC[C@H](NCc3ccc(F)cc3C#N)[C@H](C)C2)s1 ZINC000368965606 499351325 /nfs/dbraw/zinc/35/13/25/499351325.db2.gz LGFDUBXIZSPBNK-YJYMSZOUSA-N 1 1 358.486 3.463 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@H](NCc3ccc(F)cc3C#N)[C@H](C)C2)s1 ZINC000368965606 499351327 /nfs/dbraw/zinc/35/13/27/499351327.db2.gz LGFDUBXIZSPBNK-YJYMSZOUSA-N 1 1 358.486 3.463 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCN2C(C)=O)cc1OC ZINC000372080215 499396780 /nfs/dbraw/zinc/39/67/80/499396780.db2.gz CGRUCVVNRPCLFS-RBUKOAKNSA-N 1 1 358.482 3.235 20 30 FGEDMO C=CCc1ccc(OCC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)c(OC)c1 ZINC000372085849 499397493 /nfs/dbraw/zinc/39/74/93/499397493.db2.gz BZXSDSKXAZVMHQ-QGZVFWFLSA-N 1 1 372.509 3.278 20 30 FGEDMO N#Cc1ccc2ncc(CNC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000369485537 499407993 /nfs/dbraw/zinc/40/79/93/499407993.db2.gz HZXODJWJFJPROI-FQEVSTJZSA-N 1 1 359.477 3.208 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369531590 499413636 /nfs/dbraw/zinc/41/36/36/499413636.db2.gz NRXNCXQHMAVEDH-MJGOQNOKSA-N 1 1 368.506 3.454 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H]1c1cccnc1 ZINC000369556550 499417015 /nfs/dbraw/zinc/41/70/15/499417015.db2.gz NFAYCTSOEVVHIH-ICSRJNTNSA-N 1 1 362.477 3.306 20 30 FGEDMO CC(C)C[N@H+]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000369583761 499422376 /nfs/dbraw/zinc/42/23/76/499422376.db2.gz KPQJWYQORSEYAP-GOSISDBHSA-N 1 1 374.504 3.125 20 30 FGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3cccc(F)c3C#N)CC2)cs1 ZINC000372413988 499431885 /nfs/dbraw/zinc/43/18/85/499431885.db2.gz YWWKXMJMQWOEBT-UHFFFAOYSA-N 1 1 372.469 3.104 20 30 FGEDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000369759639 499441171 /nfs/dbraw/zinc/44/11/71/499441171.db2.gz ISENXEJPGBJWEW-NHCUHLMSSA-N 1 1 355.482 3.344 20 30 FGEDMO N#Cc1c(F)ccc(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1Cl ZINC000373037559 499448446 /nfs/dbraw/zinc/44/84/46/499448446.db2.gz QBNBKCLHYGQSHP-IBGZPJMESA-N 1 1 355.800 3.447 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375291265 499503499 /nfs/dbraw/zinc/50/34/99/499503499.db2.gz GHFSZGOFRMJBAF-OXQOHEQNSA-N 1 1 373.522 3.379 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375291265 499503500 /nfs/dbraw/zinc/50/35/00/499503500.db2.gz GHFSZGOFRMJBAF-OXQOHEQNSA-N 1 1 373.522 3.379 20 30 FGEDMO COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OCCCC#N ZINC000375473357 499523477 /nfs/dbraw/zinc/52/34/77/499523477.db2.gz NNBHBVCSCVBXFH-UHFFFAOYSA-N 1 1 357.498 3.438 20 30 FGEDMO COc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1OCCCC#N ZINC000375473357 499523479 /nfs/dbraw/zinc/52/34/79/499523479.db2.gz NNBHBVCSCVBXFH-UHFFFAOYSA-N 1 1 357.498 3.438 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@H]21 ZINC000375519095 499527969 /nfs/dbraw/zinc/52/79/69/499527969.db2.gz IDWDSVYBDSBMHK-OXQOHEQNSA-N 1 1 350.466 3.111 20 30 FGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCN(c3ncccc3F)CC2)cc1 ZINC000375527717 499528923 /nfs/dbraw/zinc/52/89/23/499528923.db2.gz ZSKSWJKCKKCVPR-MRXNPFEDSA-N 1 1 354.429 3.224 20 30 FGEDMO C=CCOCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000378558670 499531553 /nfs/dbraw/zinc/53/15/53/499531553.db2.gz NVPBWIAPCXDVII-YOFSQIOKSA-N 1 1 357.498 3.026 20 30 FGEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3c(F)cccc32)cc1 ZINC000375863552 499563339 /nfs/dbraw/zinc/56/33/39/499563339.db2.gz XBJJIGHFSHCQBD-GOSISDBHSA-N 1 1 361.438 3.399 20 30 FGEDMO C=CC[C@@H](CC)NC(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000375988916 499574035 /nfs/dbraw/zinc/57/40/35/499574035.db2.gz OSYMZVNUDOYSCR-MRXNPFEDSA-N 1 1 350.532 3.317 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000408422370 499587998 /nfs/dbraw/zinc/58/79/98/499587998.db2.gz HTOZAMFPQDGDLG-ZCZMFWIKSA-N 1 1 361.530 3.099 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000408422370 499587999 /nfs/dbraw/zinc/58/79/99/499587999.db2.gz HTOZAMFPQDGDLG-ZCZMFWIKSA-N 1 1 361.530 3.099 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000408422371 499588096 /nfs/dbraw/zinc/58/80/96/499588096.db2.gz HTOZAMFPQDGDLG-ZUKOONMSSA-N 1 1 361.530 3.099 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000408422371 499588098 /nfs/dbraw/zinc/58/80/98/499588098.db2.gz HTOZAMFPQDGDLG-ZUKOONMSSA-N 1 1 361.530 3.099 20 30 FGEDMO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[N@H+](CC)CC1 ZINC000570366996 506151078 /nfs/dbraw/zinc/15/10/78/506151078.db2.gz LKFXWKCXXKRBIB-UHFFFAOYSA-N 1 1 364.497 3.155 20 30 FGEDMO C=CCN(C(=O)N[C@@H]1CCC[C@@H]1CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376233051 499593164 /nfs/dbraw/zinc/59/31/64/499593164.db2.gz RLHLUNHISRVRMS-QHAWAJNXSA-N 1 1 371.525 3.010 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4ccc(F)cc4)C3)o2)cc1 ZINC000376615331 499623201 /nfs/dbraw/zinc/62/32/01/499623201.db2.gz PFOLWWFZSRTJJX-GOSISDBHSA-N 1 1 364.380 3.401 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4ccc(F)cc4)C3)o2)cc1 ZINC000376615331 499623202 /nfs/dbraw/zinc/62/32/02/499623202.db2.gz PFOLWWFZSRTJJX-GOSISDBHSA-N 1 1 364.380 3.401 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000411178341 499707107 /nfs/dbraw/zinc/70/71/07/499707107.db2.gz LPOIVOCFOPLRCK-INIZCTEOSA-N 1 1 358.507 3.492 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCc1cccs1 ZINC000411178341 499707109 /nfs/dbraw/zinc/70/71/09/499707109.db2.gz LPOIVOCFOPLRCK-INIZCTEOSA-N 1 1 358.507 3.492 20 30 FGEDMO C[C@H](C#N)C[N@H+](CCC(=O)Nc1ccccc1Br)C1CC1 ZINC000411398503 499734087 /nfs/dbraw/zinc/73/40/87/499734087.db2.gz CGLTXRXMLINIDE-GFCCVEGCSA-N 1 1 350.260 3.402 20 30 FGEDMO C[C@H](C#N)C[N@@H+](CCC(=O)Nc1ccccc1Br)C1CC1 ZINC000411398503 499734088 /nfs/dbraw/zinc/73/40/88/499734088.db2.gz CGLTXRXMLINIDE-GFCCVEGCSA-N 1 1 350.260 3.402 20 30 FGEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(C)(C)O ZINC000411782516 499790222 /nfs/dbraw/zinc/79/02/22/499790222.db2.gz IEWBTPRJJJUZEU-OLZOCXBDSA-N 1 1 363.527 3.164 20 30 FGEDMO CC(C)C[C@H](CNc1cc(C(F)(F)F)cnc1C#N)[NH+]1CCOCC1 ZINC000413045019 499906561 /nfs/dbraw/zinc/90/65/61/499906561.db2.gz PWKLVOCUMYRNTL-CQSZACIVSA-N 1 1 356.392 3.131 20 30 FGEDMO C[C@H]1OCC[C@@]1(O)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428965656 499970263 /nfs/dbraw/zinc/97/02/63/499970263.db2.gz RXJKSIJKGKYFNM-IIBYNOLFSA-N 1 1 354.425 3.239 20 30 FGEDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428965656 499970264 /nfs/dbraw/zinc/97/02/64/499970264.db2.gz RXJKSIJKGKYFNM-IIBYNOLFSA-N 1 1 354.425 3.239 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428984843 499974358 /nfs/dbraw/zinc/97/43/58/499974358.db2.gz YPNSTFYAVQBETP-ICSRJNTNSA-N 1 1 359.514 3.322 20 30 FGEDMO C[C@@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000417196578 500001669 /nfs/dbraw/zinc/00/16/69/500001669.db2.gz TYMZXPICIUVWOA-CQSZACIVSA-N 1 1 369.856 3.345 20 30 FGEDMO C[C@@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000417196578 500001673 /nfs/dbraw/zinc/00/16/73/500001673.db2.gz TYMZXPICIUVWOA-CQSZACIVSA-N 1 1 369.856 3.345 20 30 FGEDMO CN(C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1(C#N)CCCCC1 ZINC000429246211 500033135 /nfs/dbraw/zinc/03/31/35/500033135.db2.gz QZCQRQMICKFPHW-UHFFFAOYSA-N 1 1 358.442 3.104 20 30 FGEDMO CC[C@@H]1C[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](CC)O1 ZINC000421388355 500035042 /nfs/dbraw/zinc/03/50/42/500035042.db2.gz KJPPVTOXWNITMP-RTBURBONSA-N 1 1 353.470 3.248 20 30 FGEDMO CSC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000429277681 500040755 /nfs/dbraw/zinc/04/07/55/500040755.db2.gz VXPOJVMODIQUGT-ISXWCOSWSA-N 1 1 351.560 3.381 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000425259956 500058157 /nfs/dbraw/zinc/05/81/57/500058157.db2.gz NJNLMZTZWIPZEN-OAHLLOKOSA-N 1 1 351.410 3.383 20 30 FGEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000421702080 500121961 /nfs/dbraw/zinc/12/19/61/500121961.db2.gz JIRVUJXESZBQHB-FQEVSTJZSA-N 1 1 363.461 3.303 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000425533449 500134903 /nfs/dbraw/zinc/13/49/03/500134903.db2.gz DREPEODZIXHNTP-OAHLLOKOSA-N 1 1 350.422 3.289 20 30 FGEDMO COc1ccccc1S(=O)(=O)CCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425534867 500136085 /nfs/dbraw/zinc/13/60/85/500136085.db2.gz MITLARHSRGTJMS-MRXNPFEDSA-N 1 1 372.490 3.424 20 30 FGEDMO COc1ccccc1S(=O)(=O)CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425534867 500136090 /nfs/dbraw/zinc/13/60/90/500136090.db2.gz MITLARHSRGTJMS-MRXNPFEDSA-N 1 1 372.490 3.424 20 30 FGEDMO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccncc1Cl ZINC000421844709 500163339 /nfs/dbraw/zinc/16/33/39/500163339.db2.gz UIUDORJEEKEGGA-ACJLOTCBSA-N 1 1 354.841 3.453 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OC(C)C ZINC000430152848 500200690 /nfs/dbraw/zinc/20/06/90/500200690.db2.gz DCOBXSVZLSSLDN-SFHVURJKSA-N 1 1 367.449 3.402 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000430180994 500205065 /nfs/dbraw/zinc/20/50/65/500205065.db2.gz UGDNNRFUTKJNRP-IVZVJUQRSA-N 1 1 350.378 3.028 20 30 FGEDMO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(Cl)c1OC ZINC000430183702 500205666 /nfs/dbraw/zinc/20/56/66/500205666.db2.gz CYOJKZLBEJZEAH-OAHLLOKOSA-N 1 1 373.840 3.277 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(Cl)c1OC ZINC000430183702 500205669 /nfs/dbraw/zinc/20/56/69/500205669.db2.gz CYOJKZLBEJZEAH-OAHLLOKOSA-N 1 1 373.840 3.277 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000425860573 500205993 /nfs/dbraw/zinc/20/59/93/500205993.db2.gz UEIIMXNNMHMTJO-WJMWBRGCSA-N 1 1 371.525 3.445 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)CNc1cccc(C#N)c1)c1ccccc1Cl ZINC000426002128 500224385 /nfs/dbraw/zinc/22/43/85/500224385.db2.gz OABPZDVZBAQWID-GOSISDBHSA-N 1 1 356.857 3.043 20 30 FGEDMO N#Cc1csc(C[N@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000426380654 500266844 /nfs/dbraw/zinc/26/68/44/500266844.db2.gz SSRMGYRBVFHHRK-UHFFFAOYSA-N 1 1 357.298 3.438 20 30 FGEDMO N#Cc1csc(C[N@@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000426380654 500266847 /nfs/dbraw/zinc/26/68/47/500266847.db2.gz SSRMGYRBVFHHRK-UHFFFAOYSA-N 1 1 357.298 3.438 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000431616262 500398826 /nfs/dbraw/zinc/39/88/26/500398826.db2.gz FBOXVDSSPLPLGX-AEFFLSMTSA-N 1 1 371.506 3.200 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000431616262 500398828 /nfs/dbraw/zinc/39/88/28/500398828.db2.gz FBOXVDSSPLPLGX-AEFFLSMTSA-N 1 1 371.506 3.200 20 30 FGEDMO N#Cc1cnc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000427900620 500444010 /nfs/dbraw/zinc/44/40/10/500444010.db2.gz ZIYRXJOKLLBKQE-UHFFFAOYSA-N 1 1 372.831 3.094 20 30 FGEDMO N#Cc1cnc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000427900620 500444013 /nfs/dbraw/zinc/44/40/13/500444013.db2.gz ZIYRXJOKLLBKQE-UHFFFAOYSA-N 1 1 372.831 3.094 20 30 FGEDMO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000432004235 500453929 /nfs/dbraw/zinc/45/39/29/500453929.db2.gz YMBWHCCJUGBVSU-UHFFFAOYSA-N 1 1 365.861 3.204 20 30 FGEDMO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000424132138 500458930 /nfs/dbraw/zinc/45/89/30/500458930.db2.gz XNEPDUMGLYQDFV-SZMVWBNQSA-N 1 1 373.570 3.485 20 30 FGEDMO C=CCn1cc(C[NH2+]Cc2ccc(OCc3csc(C)n3)cc2)nn1 ZINC000424167688 500462367 /nfs/dbraw/zinc/46/23/67/500462367.db2.gz DHWGSEMPEVUEES-UHFFFAOYSA-N 1 1 355.467 3.098 20 30 FGEDMO C[C@@]1(CNC(=O)c2ncc(C#N)cc2Cl)CCC[N@H+]1Cc1ccccc1 ZINC000428326848 500496161 /nfs/dbraw/zinc/49/61/61/500496161.db2.gz PMSXCZUFPOQIDU-FQEVSTJZSA-N 1 1 368.868 3.391 20 30 FGEDMO C=CC1CC[NH+]([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000582378572 506199184 /nfs/dbraw/zinc/19/91/84/506199184.db2.gz MBVFSJPZZNBERD-HNNXBMFYSA-N 1 1 352.356 3.235 20 30 FGEDMO C=CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000432362324 500504656 /nfs/dbraw/zinc/50/46/56/500504656.db2.gz KLEIXUORYATKKV-INIZCTEOSA-N 1 1 352.906 3.495 20 30 FGEDMO C=CCOc1ccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000432362324 500504659 /nfs/dbraw/zinc/50/46/59/500504659.db2.gz KLEIXUORYATKKV-INIZCTEOSA-N 1 1 352.906 3.495 20 30 FGEDMO C=CCOc1ccc(CNCCC[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000432362324 500504663 /nfs/dbraw/zinc/50/46/63/500504663.db2.gz KLEIXUORYATKKV-INIZCTEOSA-N 1 1 352.906 3.495 20 30 FGEDMO C=CCOc1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1Cl ZINC000432362324 500504665 /nfs/dbraw/zinc/50/46/65/500504665.db2.gz KLEIXUORYATKKV-INIZCTEOSA-N 1 1 352.906 3.495 20 30 FGEDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000428483048 500515891 /nfs/dbraw/zinc/51/58/91/500515891.db2.gz NOGWSMZZHVXHCY-SNVBAGLBSA-N 1 1 372.284 3.345 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421021021 500555762 /nfs/dbraw/zinc/55/57/62/500555762.db2.gz RXBSCHAFHZBBSI-WOJBJXKFSA-N 1 1 371.525 3.423 20 30 FGEDMO C=CCC1(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCOCC1 ZINC000424830786 500569606 /nfs/dbraw/zinc/56/96/06/500569606.db2.gz HVLVPEFJBPTQFO-JOCHJYFZSA-N 1 1 368.521 3.484 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433063091 500616805 /nfs/dbraw/zinc/61/68/05/500616805.db2.gz WROKMHQZTDEXPT-KBXCAEBGSA-N 1 1 371.868 3.074 20 30 FGEDMO COC(=O)c1cc([C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)oc1C ZINC000433187150 500642229 /nfs/dbraw/zinc/64/22/29/500642229.db2.gz NIPRQEPJACHJHO-AWEZNQCLSA-N 1 1 356.422 3.456 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[N@H+]1C ZINC000437518128 500654009 /nfs/dbraw/zinc/65/40/09/500654009.db2.gz LGDFRAUUPURWIN-CJNGLKHVSA-N 1 1 369.494 3.210 20 30 FGEDMO C=CC[C@H]1N(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CCCC1(C)C ZINC000447810398 500667668 /nfs/dbraw/zinc/66/76/68/500667668.db2.gz INPAJVYKXLUJBA-ZWKOTPCHSA-N 1 1 351.535 3.264 20 30 FGEDMO C=CC[C@H]1N(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCCC1(C)C ZINC000447810396 500667759 /nfs/dbraw/zinc/66/77/59/500667759.db2.gz INPAJVYKXLUJBA-QZTJIDSGSA-N 1 1 351.535 3.264 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000437791960 500696230 /nfs/dbraw/zinc/69/62/30/500696230.db2.gz INDHMEAWJOTITJ-HOJAQTOUSA-N 1 1 359.514 3.177 20 30 FGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000443327738 500710622 /nfs/dbraw/zinc/71/06/22/500710622.db2.gz HPMIVTLHKFKUAZ-GQIGUUNPSA-N 1 1 353.466 3.219 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000438052136 500731723 /nfs/dbraw/zinc/73/17/23/500731723.db2.gz DCNHWXFCSJJBPO-NJYVYQBISA-N 1 1 371.525 3.274 20 30 FGEDMO C[C@H](CNc1ccc(C(F)(F)F)c(C#N)n1)[N@H+]1CCc2sccc2C1 ZINC000443512418 500732636 /nfs/dbraw/zinc/73/26/36/500732636.db2.gz WIKXCLMWASXOEO-LLVKDONJSA-N 1 1 366.412 3.314 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438451074 500787033 /nfs/dbraw/zinc/78/70/33/500787033.db2.gz GSJDEKWJXFMUSI-HKBOAZHASA-N 1 1 371.525 3.274 20 30 FGEDMO N#CCCCCCC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000588161649 506218324 /nfs/dbraw/zinc/21/83/24/506218324.db2.gz FOFUGAXCCRTYSB-UHFFFAOYSA-N 1 1 362.905 3.052 20 30 FGEDMO CC[C@@H](NC(=O)CCCCCC#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000588161672 506218390 /nfs/dbraw/zinc/21/83/90/506218390.db2.gz HFCNGCBHTHTCPZ-WOJBJXKFSA-N 1 1 357.498 3.256 20 30 FGEDMO CC[C@@H](NC(=O)CCCCCC#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000588161672 506218391 /nfs/dbraw/zinc/21/83/91/506218391.db2.gz HFCNGCBHTHTCPZ-WOJBJXKFSA-N 1 1 357.498 3.256 20 30 FGEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000444701638 500882920 /nfs/dbraw/zinc/88/29/20/500882920.db2.gz HMHGTZAGIXTQHJ-CYBMUJFWSA-N 1 1 364.287 3.140 20 30 FGEDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000444784433 500900317 /nfs/dbraw/zinc/90/03/17/500900317.db2.gz VQKYYSAAGOMGKZ-DOTOQJQBSA-N 1 1 353.388 3.387 20 30 FGEDMO COc1cc2ccccc2cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000449044635 500909755 /nfs/dbraw/zinc/90/97/55/500909755.db2.gz FKSQTMASHFZODE-INIZCTEOSA-N 1 1 373.460 3.221 20 30 FGEDMO COc1cc2ccccc2cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000449044635 500909758 /nfs/dbraw/zinc/90/97/58/500909758.db2.gz FKSQTMASHFZODE-INIZCTEOSA-N 1 1 373.460 3.221 20 30 FGEDMO C=CC[C@H]1N(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000444887131 500917758 /nfs/dbraw/zinc/91/77/58/500917758.db2.gz RNZLLWISAPHVOW-RBUKOAKNSA-N 1 1 364.578 3.035 20 30 FGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C1(CC)CC ZINC000434982813 500918975 /nfs/dbraw/zinc/91/89/75/500918975.db2.gz NIQAOXAZWXNZDL-OALUTQOASA-N 1 1 357.498 3.090 20 30 FGEDMO C=CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC000434992159 500920778 /nfs/dbraw/zinc/92/07/78/500920778.db2.gz SVEVNDIISJZVBB-UXHICEINSA-N 1 1 359.514 3.350 20 30 FGEDMO C[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000435022337 500923189 /nfs/dbraw/zinc/92/31/89/500923189.db2.gz XNUDJWAHLMNBCO-QGZVFWFLSA-N 1 1 359.473 3.153 20 30 FGEDMO C=CCOCCCC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000439796704 500940193 /nfs/dbraw/zinc/94/01/93/500940193.db2.gz YLYIJQUZKHVDHD-NQIIRXRSSA-N 1 1 373.541 3.432 20 30 FGEDMO C=CCOCCCC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000439796704 500940194 /nfs/dbraw/zinc/94/01/94/500940194.db2.gz YLYIJQUZKHVDHD-NQIIRXRSSA-N 1 1 373.541 3.432 20 30 FGEDMO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 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351.425 3.397 20 30 FGEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000441322727 501120420 /nfs/dbraw/zinc/12/04/20/501120420.db2.gz HLGVZNDFNZJJKZ-MGPUTAFESA-N 1 1 351.425 3.397 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450488733 501134371 /nfs/dbraw/zinc/13/43/71/501134371.db2.gz PBQKKXXWDYPRSK-DQEVTTJGSA-N 1 1 364.436 3.196 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450488733 501134374 /nfs/dbraw/zinc/13/43/74/501134374.db2.gz PBQKKXXWDYPRSK-DQEVTTJGSA-N 1 1 364.436 3.196 20 30 FGEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ncc(Br)cc1C#N ZINC000450534353 501147297 /nfs/dbraw/zinc/14/72/97/501147297.db2.gz FCGALSBWZALZBW-UHFFFAOYSA-N 1 1 363.259 3.267 20 30 FGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)[nH]c1C ZINC000450002361 501150825 /nfs/dbraw/zinc/15/08/25/501150825.db2.gz HOLXJARKKXXQRN-GOSISDBHSA-N 1 1 350.466 3.179 20 30 FGEDMO 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C[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000455762100 501381194 /nfs/dbraw/zinc/38/11/94/501381194.db2.gz AKBJZEYVTXLKAT-CYBMUJFWSA-N 1 1 357.845 3.249 20 30 FGEDMO C[C@H](CNC(=O)Nc1cccc(CC#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000455921880 501416210 /nfs/dbraw/zinc/41/62/10/501416210.db2.gz PYNQNLWQWWWWDV-CQSZACIVSA-N 1 1 354.479 3.382 20 30 FGEDMO C[C@H](CNC(=O)Nc1cccc(CC#N)c1)[N@H+]1CCc2sccc2C1 ZINC000455921880 501416211 /nfs/dbraw/zinc/41/62/11/501416211.db2.gz PYNQNLWQWWWWDV-CQSZACIVSA-N 1 1 354.479 3.382 20 30 FGEDMO C[NH+]1CCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000455948070 501423694 /nfs/dbraw/zinc/42/36/94/501423694.db2.gz STLDHDQNOZDZNM-UHFFFAOYSA-N 1 1 352.463 3.489 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(C#N)[nH]c3C)C2)s1 ZINC000582490793 506253412 /nfs/dbraw/zinc/25/34/12/506253412.db2.gz NFYDXNJTCKRIES-HNNXBMFYSA-N 1 1 356.495 3.159 20 30 FGEDMO CC[N@@H+](CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)C ZINC000588274750 506256470 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366.440 3.113 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459019529 501577983 /nfs/dbraw/zinc/57/79/83/501577983.db2.gz IFFXJVMLKYQQSS-UXHICEINSA-N 1 1 369.509 3.028 20 30 FGEDMO C=CC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000454765684 501625272 /nfs/dbraw/zinc/62/52/72/501625272.db2.gz GGHZKSZWWYGWSJ-RBUKOAKNSA-N 1 1 357.498 3.484 20 30 FGEDMO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000459467572 501658989 /nfs/dbraw/zinc/65/89/89/501658989.db2.gz QEYQSEQGMWYJOI-YOEHRIQHSA-N 1 1 365.399 3.478 20 30 FGEDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000459597036 501683948 /nfs/dbraw/zinc/68/39/48/501683948.db2.gz XZNLHLUTXTYLQQ-GOSISDBHSA-N 1 1 363.483 3.002 20 30 FGEDMO Cc1nsc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000459597896 501684295 /nfs/dbraw/zinc/68/42/95/501684295.db2.gz YFAKXRKJOXXUPL-DYVFJYSZSA-N 1 1 369.494 3.355 20 30 FGEDMO 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C=CCOc1ccc(CNC(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000553477703 504926225 /nfs/dbraw/zinc/92/62/25/504926225.db2.gz ANRJMFLHLAHPQU-UHFFFAOYSA-N 1 1 371.506 3.170 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)Cc2c(F)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000562855630 504966577 /nfs/dbraw/zinc/96/65/77/504966577.db2.gz IZILYNVRMOTQDU-VQIMIIECSA-N 1 1 365.452 3.409 20 30 FGEDMO C[N@@H+]([C@@H](CCO)c1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000562943195 504995513 /nfs/dbraw/zinc/99/55/13/504995513.db2.gz FEHLZBZIVGUVBV-SFTDATJTSA-N 1 1 363.461 3.109 20 30 FGEDMO CN1C(=O)C[C@H]([NH2+]Cc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550265502 505006645 /nfs/dbraw/zinc/00/66/45/505006645.db2.gz MRXINRIPISKDSM-PKOBYXMFSA-N 1 1 357.816 3.412 20 30 FGEDMO CN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000556892979 505008898 /nfs/dbraw/zinc/00/88/98/505008898.db2.gz ZXIVCIXCBOZFFJ-LJQANCHMSA-N 1 1 365.452 3.363 20 30 FGEDMO N#Cc1ncn(CC[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)n1 ZINC000556924639 505019021 /nfs/dbraw/zinc/01/90/21/505019021.db2.gz LRLIQKXIECBPDI-SFHVURJKSA-N 1 1 355.804 3.321 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000550422451 505038894 /nfs/dbraw/zinc/03/88/94/505038894.db2.gz KAWKIDGPRVWMOV-SFHVURJKSA-N 1 1 355.482 3.454 20 30 FGEDMO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000560352881 505055775 /nfs/dbraw/zinc/05/57/75/505055775.db2.gz UACAWMDVXKLJNK-GPMSIDNRSA-N 1 1 366.513 3.001 20 30 FGEDMO Cn1nccc1-c1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000560533459 505117456 /nfs/dbraw/zinc/11/74/56/505117456.db2.gz JKZCFWFKOROZLT-GOSISDBHSA-N 1 1 359.433 3.007 20 30 FGEDMO N#Cc1cccc(C2(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000554236612 505122079 /nfs/dbraw/zinc/12/20/79/505122079.db2.gz GEIJJKZDJRTOKA-HXUWFJFHSA-N 1 1 360.461 3.121 20 30 FGEDMO C[C@@]1(CNC(=O)Cc2c(F)cccc2C#N)CCC[N@H+]1Cc1ccccc1 ZINC000560634627 505150056 /nfs/dbraw/zinc/15/00/56/505150056.db2.gz JVBILVINEQENKC-QFIPXVFZSA-N 1 1 365.452 3.411 20 30 FGEDMO Cc1cccc(NCCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)[nH+]1 ZINC000557569926 505170455 /nfs/dbraw/zinc/17/04/55/505170455.db2.gz MPROTRMZPWOCER-UHFFFAOYSA-N 1 1 357.339 3.173 20 30 FGEDMO CC(C)OCCCn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000566499233 505190606 /nfs/dbraw/zinc/19/06/06/505190606.db2.gz OJXQSLGVIWXJPT-UHFFFAOYSA-N 1 1 365.477 3.093 20 30 FGEDMO C[C@@]1(CNC(=O)c2ccc(F)c(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000551311816 505198055 /nfs/dbraw/zinc/19/80/55/505198055.db2.gz MBCXXJMQSMEKIF-NRFANRHFSA-N 1 1 351.425 3.482 20 30 FGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000554552170 505205230 /nfs/dbraw/zinc/20/52/30/505205230.db2.gz HFIWHVBASPWUCM-KRWDZBQOSA-N 1 1 356.433 3.467 20 30 FGEDMO C[N@@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1Cc1ccccc1 ZINC000551522591 505243749 /nfs/dbraw/zinc/24/37/49/505243749.db2.gz OSRAAUJCRACQRO-SFHVURJKSA-N 1 1 353.853 3.211 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1Cc1ccccc1 ZINC000551522591 505243755 /nfs/dbraw/zinc/24/37/55/505243755.db2.gz OSRAAUJCRACQRO-SFHVURJKSA-N 1 1 353.853 3.211 20 30 FGEDMO Cc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)cc1 ZINC000564114394 505329338 /nfs/dbraw/zinc/32/93/38/505329338.db2.gz INQBWPOARFRGCI-QFIPXVFZSA-N 1 1 361.489 3.438 20 30 FGEDMO Cc1cc(NCCn2cnc(C#N)n2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000561396845 505335109 /nfs/dbraw/zinc/33/51/09/505335109.db2.gz BNBIPOVXKHFHIR-UHFFFAOYSA-N 1 1 362.315 3.017 20 30 FGEDMO CC[NH+]1CCN(c2ccc(-c3noc([C@](C)(C#N)CC)n3)cc2F)CC1 ZINC000558323466 505360362 /nfs/dbraw/zinc/36/03/62/505360362.db2.gz MQFUVYZVSVTLJV-IBGZPJMESA-N 1 1 357.433 3.209 20 30 FGEDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000552244831 505438594 /nfs/dbraw/zinc/43/85/94/505438594.db2.gz HEHVLBWBIKUVQK-SFHVURJKSA-N 1 1 356.857 3.420 20 30 FGEDMO CCCOc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1OC ZINC000564517878 505439952 /nfs/dbraw/zinc/43/99/52/505439952.db2.gz RVYOMXXAQFJAAA-UHFFFAOYSA-N 1 1 366.465 3.073 20 30 FGEDMO N#Cc1ccccc1NC(=O)CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000564564385 505454662 /nfs/dbraw/zinc/45/46/62/505454662.db2.gz PHPIQAMWNCLASH-RBBKRZOGSA-N 1 1 374.488 3.093 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000564564385 505454665 /nfs/dbraw/zinc/45/46/65/505454665.db2.gz PHPIQAMWNCLASH-RBBKRZOGSA-N 1 1 374.488 3.093 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000564564385 505454670 /nfs/dbraw/zinc/45/46/70/505454670.db2.gz PHPIQAMWNCLASH-RBBKRZOGSA-N 1 1 374.488 3.093 20 30 FGEDMO C=CCOc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000561876864 505456705 /nfs/dbraw/zinc/45/67/05/505456705.db2.gz JWENGPVIDIJIRK-RXVVDRJESA-N 1 1 369.509 3.410 20 30 FGEDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000561902751 505464434 /nfs/dbraw/zinc/46/44/34/505464434.db2.gz XYXCMECGNSEVOG-UGSOOPFHSA-N 1 1 367.415 3.377 20 30 FGEDMO C[C@@H](C#N)CN(C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000552365590 505473496 /nfs/dbraw/zinc/47/34/96/505473496.db2.gz JWCGXDTVMLSBMO-MAUKXSAKSA-N 1 1 361.436 3.294 20 30 FGEDMO C[C@@H](O)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000567507678 505484036 /nfs/dbraw/zinc/48/40/36/505484036.db2.gz LHGCXAHAYIOZOO-ZHRRBRCNSA-N 1 1 367.468 3.373 20 30 FGEDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000552460872 505497760 /nfs/dbraw/zinc/49/77/60/505497760.db2.gz ZCSWUPGACCWGLL-UHFFFAOYSA-N 1 1 351.494 3.384 20 30 FGEDMO COc1cc(C#N)ccc1C[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000558828252 505504812 /nfs/dbraw/zinc/50/48/12/505504812.db2.gz KJYMVJYSBNKXLW-UHFFFAOYSA-N 1 1 358.445 3.437 20 30 FGEDMO CCC[N@@H+](C)[C@@H](CNC(=O)Cc1noc(C)c1C#N)c1ccc(Cl)cc1 ZINC000552682481 505533837 /nfs/dbraw/zinc/53/38/37/505533837.db2.gz MSSDVKUWSCQNFY-SFHVURJKSA-N 1 1 374.872 3.250 20 30 FGEDMO CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)CC2(C#N)CCOCC2)cc1 ZINC000599253278 506386576 /nfs/dbraw/zinc/38/65/76/506386576.db2.gz GVBUGBUWNRHUNN-AZUAARDMSA-N 1 1 358.482 3.294 20 30 FGEDMO CC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000599270151 506391897 /nfs/dbraw/zinc/39/18/97/506391897.db2.gz AURVVSWILKQGLR-APWZRJJASA-N 1 1 354.450 3.390 20 30 FGEDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCc2ccc(F)cc21 ZINC000593115022 506401478 /nfs/dbraw/zinc/40/14/78/506401478.db2.gz GCDUAAJKUPZGSH-OXJNMPFZSA-N 1 1 368.452 3.293 20 30 FGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H](O)CC2(O)CCC2)cc1 ZINC000599314968 506408568 /nfs/dbraw/zinc/40/85/68/506408568.db2.gz CCHXKAVPPAHDNT-OAQYLSRUSA-N 1 1 368.452 3.366 20 30 FGEDMO CCN(C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H]1CC[N@@H+](C)C1 ZINC000596451016 506412343 /nfs/dbraw/zinc/41/23/43/506412343.db2.gz WNDVBUIUESYSDQ-MRXNPFEDSA-N 1 1 369.494 3.163 20 30 FGEDMO Cc1ccc(C[NH2+][C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000599329617 506415036 /nfs/dbraw/zinc/41/50/36/506415036.db2.gz AMQJNLPFOJFLST-SFHVURJKSA-N 1 1 361.367 3.376 20 30 FGEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000603128577 506430724 /nfs/dbraw/zinc/43/07/24/506430724.db2.gz JPXGLTJYDBAHIC-UZLBHIALSA-N 1 1 363.465 3.470 20 30 FGEDMO C[C@@H]1C[C@@H](CCNC(=O)N2CC[C@@](C)(C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000596506835 506439193 /nfs/dbraw/zinc/43/91/93/506439193.db2.gz DBJSFNRMKULBBZ-QFUCXCTJSA-N 1 1 354.498 3.232 20 30 FGEDMO N#Cc1ccc(OCCn2cc(C[NH2+][C@H]3CCc4ccccc43)nn2)cc1 ZINC000603176086 506448483 /nfs/dbraw/zinc/44/84/83/506448483.db2.gz KGXUHLJMUQWXHW-NRFANRHFSA-N 1 1 359.433 3.006 20 30 FGEDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(C#N)cnc2c(Cl)cccc21 ZINC000582841834 506450083 /nfs/dbraw/zinc/45/00/83/506450083.db2.gz GSRIUTRCRGQCLX-UKRRQHHQSA-N 1 1 356.857 3.059 20 30 FGEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599439888 506455923 /nfs/dbraw/zinc/45/59/23/506455923.db2.gz ALXNONPLVZOBLG-PMACEKPBSA-N 1 1 360.473 3.294 20 30 FGEDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C[C@@H]21 ZINC000582887397 506472938 /nfs/dbraw/zinc/47/29/38/506472938.db2.gz VVSHCQYZYHUPIU-NQIIRXRSSA-N 1 1 361.445 3.321 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000589272853 506503860 /nfs/dbraw/zinc/50/38/60/506503860.db2.gz KAVUUFGSUFCOHX-ZUZCIYMTSA-N 1 1 370.280 3.434 20 30 FGEDMO COC(=O)c1sccc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599629950 506539969 /nfs/dbraw/zinc/53/99/69/506539969.db2.gz BZVDPISOPSMWFK-UHFFFAOYSA-N 1 1 356.447 3.202 20 30 FGEDMO COc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000596695945 506543248 /nfs/dbraw/zinc/54/32/48/506543248.db2.gz YXJQOEGFWNWAQS-UHFFFAOYSA-N 1 1 363.461 3.223 20 30 FGEDMO COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000596695945 506543253 /nfs/dbraw/zinc/54/32/53/506543253.db2.gz YXJQOEGFWNWAQS-UHFFFAOYSA-N 1 1 363.461 3.223 20 30 FGEDMO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000599659834 506559896 /nfs/dbraw/zinc/55/98/96/506559896.db2.gz KKMLQRNUGXYRHK-QGZVFWFLSA-N 1 1 364.493 3.469 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCC2(CC2)CC1 ZINC000599673490 506569883 /nfs/dbraw/zinc/56/98/83/506569883.db2.gz QSGXJDGXUOPQLY-UHFFFAOYSA-N 1 1 372.513 3.218 20 30 FGEDMO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000599677655 506574465 /nfs/dbraw/zinc/57/44/65/506574465.db2.gz IUXSREXRQQRVFX-QGZVFWFLSA-N 1 1 353.510 3.395 20 30 FGEDMO C[C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599686730 506581222 /nfs/dbraw/zinc/58/12/22/506581222.db2.gz WYKDXORZNCPZLF-ROUUACIJSA-N 1 1 361.489 3.419 20 30 FGEDMO C[C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599686730 506581224 /nfs/dbraw/zinc/58/12/24/506581224.db2.gz WYKDXORZNCPZLF-ROUUACIJSA-N 1 1 361.489 3.419 20 30 FGEDMO COc1ccc(C)cc1C[NH+]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000589557154 506584734 /nfs/dbraw/zinc/58/47/34/506584734.db2.gz BRIOPRRVVWFLBN-UHFFFAOYSA-N 1 1 366.421 3.106 20 30 FGEDMO C[C@H](CNC(=O)CC1(C#N)CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000596795648 506602505 /nfs/dbraw/zinc/60/25/05/506602505.db2.gz ATVOFGKPLAQWQY-LJQANCHMSA-N 1 1 368.525 3.177 20 30 FGEDMO C[C@@H]1[C@H](NC(=O)N2Cc3cccc(C#N)c3C2)CC[N@H+]1Cc1ccccc1 ZINC000593405591 506603566 /nfs/dbraw/zinc/60/35/66/506603566.db2.gz WLKSSYNDOUGCTA-IIBYNOLFSA-N 1 1 360.461 3.246 20 30 FGEDMO N#Cc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000583131387 506607070 /nfs/dbraw/zinc/60/70/70/506607070.db2.gz DYUKIUAODYYAFH-LJQANCHMSA-N 1 1 362.477 3.294 20 30 FGEDMO COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c(F)cc1C#N ZINC000599820285 506656636 /nfs/dbraw/zinc/65/66/36/506656636.db2.gz TUKYULXYQLQMLB-GOSISDBHSA-N 1 1 368.412 3.227 20 30 FGEDMO COc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(F)cc1C#N ZINC000599820285 506656641 /nfs/dbraw/zinc/65/66/41/506656641.db2.gz TUKYULXYQLQMLB-GOSISDBHSA-N 1 1 368.412 3.227 20 30 FGEDMO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596912422 506673069 /nfs/dbraw/zinc/67/30/69/506673069.db2.gz OQKLHYVQTGGIST-LJQANCHMSA-N 1 1 368.525 3.480 20 30 FGEDMO C[C@@H]([NH2+]C(C)(C)CNC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258164 506681312 /nfs/dbraw/zinc/68/13/12/506681312.db2.gz KQQLWPQGWVHKQA-XLIONFOSSA-N 1 1 367.493 3.017 20 30 FGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2)CC1 ZINC000597014895 506732178 /nfs/dbraw/zinc/73/21/78/506732178.db2.gz SXMSQFALLVCRJN-QGZVFWFLSA-N 1 1 363.421 3.231 20 30 FGEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593718601 506746343 /nfs/dbraw/zinc/74/63/43/506746343.db2.gz KWNYCMZCMBZZSM-CYBMUJFWSA-N 1 1 366.303 3.100 20 30 FGEDMO Cc1ccc(-c2noc([C@H](C)N3CC[NH+]([C@H]4CC[C@@H](C#N)C4)CC3)n2)cc1 ZINC000590154134 506752073 /nfs/dbraw/zinc/75/20/73/506752073.db2.gz BEJFEEVEWXGDOE-SCTDSRPQSA-N 1 1 365.481 3.416 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000583438283 506779667 /nfs/dbraw/zinc/77/96/67/506779667.db2.gz BAZCFLDBKXTBJY-NSHGMRRFSA-N 1 1 355.482 3.049 20 30 FGEDMO 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/nfs/dbraw/zinc/51/49/77/722514977.db2.gz MILZQXSWKSTNPZ-QGZVFWFLSA-N 1 1 361.873 3.219 20 30 FGEDMO Cc1nc(Cl)cc(N=NC(C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000741766554 722549010 /nfs/dbraw/zinc/54/90/10/722549010.db2.gz MUADSINMJFZOEL-MRXNPFEDSA-N 1 1 359.861 3.127 20 30 FGEDMO Cc1nc(Cl)cc(N=NC(C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000741766554 722549011 /nfs/dbraw/zinc/54/90/11/722549011.db2.gz MUADSINMJFZOEL-MRXNPFEDSA-N 1 1 359.861 3.127 20 30 FGEDMO C#CCNC(=O)C[NH2+][C@@H](c1ccc(OCC)cc1)c1cccc(Cl)c1 ZINC000751562144 722813429 /nfs/dbraw/zinc/81/34/29/722813429.db2.gz HPWGXGWOPPVDMN-FQEVSTJZSA-N 1 1 356.853 3.167 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1cc(C#N)ccc1Br ZINC000754882250 722947459 /nfs/dbraw/zinc/94/74/59/722947459.db2.gz IQIXIGCACHICAT-LBPRGKRZSA-N 1 1 365.275 3.194 20 30 FGEDMO CCc1[nH+]c(C=NNC(=S)Nc2cccc(OC)c2)c2ccccn12 ZINC000755508929 722953990 /nfs/dbraw/zinc/95/39/90/722953990.db2.gz UVTAFONLGFKHLB-UHFFFAOYSA-N 1 1 353.451 3.226 20 30 FGEDMO C#CCOc1ccc(Br)cc1CN[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000757701973 722978572 /nfs/dbraw/zinc/97/85/72/722978572.db2.gz CTEPFEOIXDNBNV-DYVFJYSZSA-N 1 1 363.299 3.033 20 30 FGEDMO C#CCOc1ccc(Br)cc1CN[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000757701973 722978573 /nfs/dbraw/zinc/97/85/73/722978573.db2.gz CTEPFEOIXDNBNV-DYVFJYSZSA-N 1 1 363.299 3.033 20 30 FGEDMO C=CCN1CC(=O)N(C[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1=O ZINC000761266799 723138627 /nfs/dbraw/zinc/13/86/27/723138627.db2.gz GBRAUIWPCKUBTD-QGZVFWFLSA-N 1 1 361.873 3.145 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000795878529 723612454 /nfs/dbraw/zinc/61/24/54/723612454.db2.gz BUWHEZONECZNFK-UHFFFAOYSA-N 1 1 353.491 3.080 20 30 FGEDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000796299392 723631265 /nfs/dbraw/zinc/63/12/65/723631265.db2.gz JPQHYLCFTMEDRJ-KRWDZBQOSA-N 1 1 354.372 3.415 20 30 FGEDMO C=C(C)C[C@H](C)C(=O)OCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000774244561 723873992 /nfs/dbraw/zinc/87/39/92/723873992.db2.gz QCJYQIPTVZJNFX-INIZCTEOSA-N 1 1 354.491 3.075 20 30 FGEDMO C=C(C)C[C@H](C)C(=O)OCC[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000774244561 723873996 /nfs/dbraw/zinc/87/39/96/723873996.db2.gz QCJYQIPTVZJNFX-INIZCTEOSA-N 1 1 354.491 3.075 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000774594207 723909469 /nfs/dbraw/zinc/90/94/69/723909469.db2.gz YDYHGWIMXIWALO-LJQANCHMSA-N 1 1 359.832 3.206 20 30 FGEDMO C#CCC[C@H](O)CNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000798418824 723930893 /nfs/dbraw/zinc/93/08/93/723930893.db2.gz PISBKXCBGLYMPD-HNNXBMFYSA-N 1 1 358.511 3.090 20 30 FGEDMO C#CCCNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000776911761 724195306 /nfs/dbraw/zinc/19/53/06/724195306.db2.gz ITGOZOZPSPRWRJ-IRXDYDNUSA-N 1 1 351.853 3.325 20 30 FGEDMO C#CCCNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000776911761 724195310 /nfs/dbraw/zinc/19/53/10/724195310.db2.gz ITGOZOZPSPRWRJ-IRXDYDNUSA-N 1 1 351.853 3.325 20 30 FGEDMO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000801930541 724347249 /nfs/dbraw/zinc/34/72/49/724347249.db2.gz RGTXQOBZPKZRDH-NHYWBVRUSA-N 1 1 356.253 3.325 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000801930541 724347253 /nfs/dbraw/zinc/34/72/53/724347253.db2.gz RGTXQOBZPKZRDH-NHYWBVRUSA-N 1 1 356.253 3.325 20 30 FGEDMO CC1([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)OCCO1 ZINC000784578709 724865126 /nfs/dbraw/zinc/86/51/26/724865126.db2.gz RBGZSNZUWMBRHC-OAHLLOKOSA-N 1 1 352.381 3.135 20 30 FGEDMO C#Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cn1 ZINC000786222596 724968159 /nfs/dbraw/zinc/96/81/59/724968159.db2.gz XAYSZXSKOOWBNA-UHFFFAOYSA-N 1 1 358.239 3.139 20 30 FGEDMO C#C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(Cl)cc1F ZINC000805078424 725048382 /nfs/dbraw/zinc/04/83/82/725048382.db2.gz BCZDEMCNKUWZES-KRWDZBQOSA-N 1 1 351.853 3.327 20 30 FGEDMO C#C[C@@H](NC(=O)NCCCCn1cc[nH+]c1C)c1ccc(Cl)cc1F ZINC000805149576 725053248 /nfs/dbraw/zinc/05/32/48/725053248.db2.gz JHZVTRICSICDSX-QGZVFWFLSA-N 1 1 362.836 3.438 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1F ZINC000805183590 725055013 /nfs/dbraw/zinc/05/50/13/725055013.db2.gz DNWUCJXZXNBZCA-DYVFJYSZSA-N 1 1 351.853 3.183 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000805766608 725093209 /nfs/dbraw/zinc/09/32/09/725093209.db2.gz NITIBSVQZZEHLT-HQRMLTQVSA-N 1 1 354.475 3.092 20 30 FGEDMO C[C@@H]1C(=NNC(=S)Nc2ccccn2)CCC[N@H+]1Cc1ccccc1 ZINC000814882525 727008040 /nfs/dbraw/zinc/00/80/40/727008040.db2.gz JWIYLAQTRTULSB-OAHLLOKOSA-N 1 1 353.495 3.409 20 30 FGEDMO C[C@@H]1C(=NNC(=S)Nc2ccccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000814882525 727008042 /nfs/dbraw/zinc/00/80/42/727008042.db2.gz JWIYLAQTRTULSB-OAHLLOKOSA-N 1 1 353.495 3.409 20 30 FGEDMO CC(C)(C)OC(=O)NCC1(C=[NH+]n2cc(Br)cn2)CCC1 ZINC000814884460 727008457 /nfs/dbraw/zinc/00/84/57/727008457.db2.gz KDMJXCCQRJMBLC-UHFFFAOYSA-N 1 1 357.252 3.175 20 30 FGEDMO C=CCC(F)(F)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000815834876 727100953 /nfs/dbraw/zinc/10/09/53/727100953.db2.gz DGMGKLMYNMOTQP-AWEZNQCLSA-N 1 1 358.816 3.338 20 30 FGEDMO C=CCC(F)(F)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000815834876 727100958 /nfs/dbraw/zinc/10/09/58/727100958.db2.gz DGMGKLMYNMOTQP-AWEZNQCLSA-N 1 1 358.816 3.338 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)c2ccccc2c1 ZINC000818612323 727317224 /nfs/dbraw/zinc/31/72/24/727317224.db2.gz WICUDBSEUHMQBZ-UHFFFAOYSA-N 1 1 359.267 3.287 20 30 FGEDMO C#C[C@@H](NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1F ZINC000820738051 729023560 /nfs/dbraw/zinc/02/35/60/729023560.db2.gz RBUXIPYKILXAJM-SUMWQHHRSA-N 1 1 351.853 3.137 20 30 FGEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2cc(Br)ccc2F)no1 ZINC000822925953 729233345 /nfs/dbraw/zinc/23/33/45/729233345.db2.gz OILGIQDRAFMBQO-LBPRGKRZSA-N 1 1 353.195 3.256 20 30 FGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(-n3cc(Cl)cn3)c(F)c2)no1 ZINC000823156894 729257142 /nfs/dbraw/zinc/25/71/42/729257142.db2.gz ILTBAOYJDDSIMY-CYBMUJFWSA-N 1 1 360.780 3.408 20 30 FGEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2cc(F)cc(Br)c2)no1 ZINC000823189630 729261419 /nfs/dbraw/zinc/26/14/19/729261419.db2.gz KPJUJLMZGWZEDP-GFCCVEGCSA-N 1 1 353.195 3.256 20 30 FGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2c(Cl)nc3cc(Cl)ccn32)no1 ZINC000823220848 729264508 /nfs/dbraw/zinc/26/45/08/729264508.db2.gz GUWAIBIFVBQKHV-VIFPVBQESA-N 1 1 351.197 3.385 20 30 FGEDMO COC(=O)C1(C#N)CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000824867434 729362907 /nfs/dbraw/zinc/36/29/07/729362907.db2.gz OLKWPVNTTMXLBB-UHFFFAOYSA-N 1 1 358.829 3.009 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000825627879 729389931 /nfs/dbraw/zinc/38/99/31/729389931.db2.gz RLIHVWJLKDACKT-QAPCUYQASA-N 1 1 353.491 3.168 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000825627879 729389933 /nfs/dbraw/zinc/38/99/33/729389933.db2.gz RLIHVWJLKDACKT-QAPCUYQASA-N 1 1 353.491 3.168 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000836488050 729957539 /nfs/dbraw/zinc/95/75/39/729957539.db2.gz FJEMLGKTDCQDOV-HNNXBMFYSA-N 1 1 359.367 3.074 20 30 FGEDMO C#CC[C@@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000842628779 730521666 /nfs/dbraw/zinc/52/16/66/730521666.db2.gz GEBSTPOITKJWHF-CQSZACIVSA-N 1 1 359.267 3.457 20 30 FGEDMO C=C[C@H](C)ONC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000845621988 730871832 /nfs/dbraw/zinc/87/18/32/730871832.db2.gz CRAMDLOXLRSNRR-ZLIFDBKOSA-N 1 1 353.413 3.294 20 30 FGEDMO C=C[C@H](C)ONC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000845621988 730871839 /nfs/dbraw/zinc/87/18/39/730871839.db2.gz CRAMDLOXLRSNRR-ZLIFDBKOSA-N 1 1 353.413 3.294 20 30 FGEDMO COc1ccc(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1C#N ZINC000846933136 730996385 /nfs/dbraw/zinc/99/63/85/730996385.db2.gz VJFSKZGDRXEUMH-SFHVURJKSA-N 1 1 357.841 3.139 20 30 FGEDMO CCOP(=O)(OCC)[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000851738474 731489415 /nfs/dbraw/zinc/48/94/15/731489415.db2.gz HWWPFDVYPKCXGB-QGZVFWFLSA-N 1 1 352.371 3.107 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852308034 731568332 /nfs/dbraw/zinc/56/83/32/731568332.db2.gz RWOIOEPUAZTVQP-HNNXBMFYSA-N 1 1 355.523 3.035 20 30 FGEDMO N#Cc1ncc(Br)cc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000853455066 731705074 /nfs/dbraw/zinc/70/50/74/731705074.db2.gz PVGFLKKXEPBISH-BLLLJJGKSA-N 1 1 361.287 3.169 20 30 FGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000859444136 732329853 /nfs/dbraw/zinc/32/98/53/732329853.db2.gz DUBUKZANFOLZHC-ZDUSSCGKSA-N 1 1 350.463 3.227 20 30 FGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000859444136 732329858 /nfs/dbraw/zinc/32/98/58/732329858.db2.gz DUBUKZANFOLZHC-ZDUSSCGKSA-N 1 1 350.463 3.227 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1csc(N(C)c2ccccc2)n1 ZINC000860529848 732528768 /nfs/dbraw/zinc/52/87/68/732528768.db2.gz MOSRWCHBCVXQFQ-MRXNPFEDSA-N 1 1 355.463 3.165 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C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000066437554 494335464 /nfs/dbraw/zinc/33/54/64/494335464.db2.gz DFECXVONMLEJQE-HNNXBMFYSA-N 1 1 351.410 3.135 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000078644298 494335908 /nfs/dbraw/zinc/33/59/08/494335908.db2.gz KNEKZSVDQWVLEX-TZQQIIETSA-N 1 1 371.481 3.166 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000078644298 494335912 /nfs/dbraw/zinc/33/59/12/494335912.db2.gz KNEKZSVDQWVLEX-TZQQIIETSA-N 1 1 371.481 3.166 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000089660742 494340084 /nfs/dbraw/zinc/34/00/84/494340084.db2.gz UOIFAUNVBKKVFF-OALUTQOASA-N 1 1 368.868 3.456 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000089660742 494340088 /nfs/dbraw/zinc/34/00/88/494340088.db2.gz UOIFAUNVBKKVFF-OALUTQOASA-N 1 1 368.868 3.456 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000577369406 505714542 /nfs/dbraw/zinc/71/45/42/505714542.db2.gz CAFGFPYSEYRAJF-FPOVZHCZSA-N 1 1 369.509 3.441 20 30 FGEDMO C=CCNC(=O)c1ccc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nc1 ZINC000078689539 494344098 /nfs/dbraw/zinc/34/40/98/494344098.db2.gz FVOIFGBJECOEEW-SFHVURJKSA-N 1 1 364.493 3.098 20 30 FGEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000015509500 494356987 /nfs/dbraw/zinc/35/69/87/494356987.db2.gz LXSFZDVRGLWECN-UONOGXRCSA-N 1 1 353.422 3.253 20 30 FGEDMO C[C@](C#N)(NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000073727394 494419864 /nfs/dbraw/zinc/41/98/64/494419864.db2.gz TTXYGALPHQFYEP-IFMALSPDSA-N 1 1 369.509 3.256 20 30 FGEDMO C[C@](C#N)(NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000073727394 494419867 /nfs/dbraw/zinc/41/98/67/494419867.db2.gz TTXYGALPHQFYEP-IFMALSPDSA-N 1 1 369.509 3.256 20 30 FGEDMO CN1CC[NH+](Cc2ccc(C(=O)N[C@](C)(C#N)C3CCCCC3)cc2)CC1 ZINC000073727410 494420034 /nfs/dbraw/zinc/42/00/34/494420034.db2.gz XKEPJSBJVBTSJC-JOCHJYFZSA-N 1 1 368.525 3.026 20 30 FGEDMO CC[NH+](CC)Cc1cccc(CN[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000079307444 494434490 /nfs/dbraw/zinc/43/44/90/494434490.db2.gz JHLITYJAZSCOFR-GOSISDBHSA-N 1 1 370.541 3.349 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2nnc3ccccn32)c1 ZINC000066904902 494436364 /nfs/dbraw/zinc/43/63/64/494436364.db2.gz ZLYBIXYALPXEBW-UHFFFAOYSA-N 1 1 369.428 3.470 20 30 FGEDMO N#Cc1ccnc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)n1 ZINC000571392508 505722252 /nfs/dbraw/zinc/72/22/52/505722252.db2.gz LGNMGHSRMCWWJS-UHFFFAOYSA-N 1 1 360.421 3.080 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000073895050 494444052 /nfs/dbraw/zinc/44/40/52/494444052.db2.gz DXYROCPGAAMPJI-BDAKNGLRSA-N 1 1 362.232 3.183 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000074312495 494515043 /nfs/dbraw/zinc/51/50/43/494515043.db2.gz GAQCSLPULSYFKG-NRFANRHFSA-N 1 1 363.461 3.259 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000074315947 494516386 /nfs/dbraw/zinc/51/63/86/494516386.db2.gz OKKNZEAFUXWFDQ-IRXDYDNUSA-N 1 1 354.498 3.487 20 30 FGEDMO CCOc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046527051 494536538 /nfs/dbraw/zinc/53/65/38/494536538.db2.gz JASUTUFSOMGDQV-UHFFFAOYSA-N 1 1 351.450 3.047 20 30 FGEDMO CCOc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046527051 494536541 /nfs/dbraw/zinc/53/65/41/494536541.db2.gz JASUTUFSOMGDQV-UHFFFAOYSA-N 1 1 351.450 3.047 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000056753955 494556377 /nfs/dbraw/zinc/55/63/77/494556377.db2.gz HPZAYRZVBFVASV-UHFFFAOYSA-N 1 1 370.478 3.198 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000056753955 494556379 /nfs/dbraw/zinc/55/63/79/494556379.db2.gz HPZAYRZVBFVASV-UHFFFAOYSA-N 1 1 370.478 3.198 20 30 FGEDMO CSc1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046856726 494574987 /nfs/dbraw/zinc/57/49/87/494574987.db2.gz XOSZEPSZEZGOOE-UHFFFAOYSA-N 1 1 353.491 3.371 20 30 FGEDMO CSc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046856726 494574992 /nfs/dbraw/zinc/57/49/92/494574992.db2.gz XOSZEPSZEZGOOE-UHFFFAOYSA-N 1 1 353.491 3.371 20 30 FGEDMO CC(C)N1CC[C@@H]([NH2+]Cc2ncc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574261520 505733309 /nfs/dbraw/zinc/73/33/09/505733309.db2.gz HPFSDVXDNXKCDZ-IEBWSBKVSA-N 1 1 373.863 3.454 20 30 FGEDMO N#Cc1c(NC(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)sc2c1CCCCC2 ZINC000047405689 494698469 /nfs/dbraw/zinc/69/84/69/494698469.db2.gz ZASFVWQMEOJZIN-CQSZACIVSA-N 1 1 373.522 3.328 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc(C)c(C#N)cn3)C2)s1 ZINC000571453205 505736470 /nfs/dbraw/zinc/73/64/70/505736470.db2.gz OAAQAYGXCHUYHU-INIZCTEOSA-N 1 1 368.506 3.226 20 30 FGEDMO C=CCc1cc(C[N@@H+]2CCC[C@H](CNC(=O)CCC)C2)cc(OC)c1O ZINC000092707635 494720619 /nfs/dbraw/zinc/72/06/19/494720619.db2.gz JQQKGCGPCYILDB-MRXNPFEDSA-N 1 1 360.498 3.258 20 30 FGEDMO COCCOc1cccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000091918062 494722028 /nfs/dbraw/zinc/72/20/28/494722028.db2.gz OKWILVBRXBPHGQ-UHFFFAOYSA-N 1 1 369.440 3.045 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000057406508 494735880 /nfs/dbraw/zinc/73/58/80/494735880.db2.gz WYDIIIUTJUMIHA-CQSZACIVSA-N 1 1 365.424 3.451 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000057406508 494735887 /nfs/dbraw/zinc/73/58/87/494735887.db2.gz WYDIIIUTJUMIHA-CQSZACIVSA-N 1 1 365.424 3.451 20 30 FGEDMO C=CCOc1ccc(C[N@H+](CC(=O)Nc2nncs2)C(C)(C)C)cc1 ZINC000131810750 494738619 /nfs/dbraw/zinc/73/86/19/494738619.db2.gz YKHMDFDJFNOLAR-UHFFFAOYSA-N 1 1 360.483 3.342 20 30 FGEDMO C=CCn1c(-c2scnc2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000577492093 505738882 /nfs/dbraw/zinc/73/88/82/505738882.db2.gz FZMYWEAKPFFMQY-AWEZNQCLSA-N 1 1 372.542 3.207 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126440264 494751288 /nfs/dbraw/zinc/75/12/88/494751288.db2.gz HTVUCORTXLJWQW-OCCSQVGLSA-N 1 1 370.280 3.207 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126440264 494751296 /nfs/dbraw/zinc/75/12/96/494751296.db2.gz HTVUCORTXLJWQW-OCCSQVGLSA-N 1 1 370.280 3.207 20 30 FGEDMO CCC[N@@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1ccc(C#N)cc1 ZINC000047740743 494768744 /nfs/dbraw/zinc/76/87/44/494768744.db2.gz AKISHFVWOXYDQH-UHFFFAOYSA-N 1 1 365.477 3.437 20 30 FGEDMO C=CCc1cc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc(OC)c1O ZINC000092075612 494780846 /nfs/dbraw/zinc/78/08/46/494780846.db2.gz SRXITDBXTGEPSQ-IBGZPJMESA-N 1 1 366.461 3.193 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc(OC)c1O ZINC000092075612 494780851 /nfs/dbraw/zinc/78/08/51/494780851.db2.gz SRXITDBXTGEPSQ-IBGZPJMESA-N 1 1 366.461 3.193 20 30 FGEDMO COc1c(C)c[nH+]c(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c1C ZINC000121597406 494815853 /nfs/dbraw/zinc/81/58/53/494815853.db2.gz TXKAHPUMFPYZKE-FQEVSTJZSA-N 1 1 350.466 3.090 20 30 FGEDMO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1OC(F)F ZINC000126934595 494865013 /nfs/dbraw/zinc/86/50/13/494865013.db2.gz CERWULQAZIHXIJ-UHFFFAOYSA-N 1 1 373.403 3.490 20 30 FGEDMO Cc1ccc(OC2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000116882933 494866482 /nfs/dbraw/zinc/86/64/82/494866482.db2.gz FVHFRMMUMMRVAY-LAUBAEHRSA-N 1 1 357.498 3.281 20 30 FGEDMO OCC[N@@H+](CCOCC(F)(F)F)Cc1ccc(F)cc1C(F)(F)F ZINC000093320141 494868889 /nfs/dbraw/zinc/86/88/89/494868889.db2.gz REMHKIQXBRXXER-UHFFFAOYSA-N 1 1 363.273 3.218 20 30 FGEDMO CN(C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1)C1(C#N)CCCCC1 ZINC000121846699 494873623 /nfs/dbraw/zinc/87/36/23/494873623.db2.gz HTQCEDFGVPAMST-UHFFFAOYSA-N 1 1 374.573 3.259 20 30 FGEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(n3ccnc3)CC2)c2ccccc21 ZINC000109796633 494919521 /nfs/dbraw/zinc/91/95/21/494919521.db2.gz QEJIDSQAGXOVPC-UHFFFAOYSA-N 1 1 361.449 3.271 20 30 FGEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000127265851 494919651 /nfs/dbraw/zinc/91/96/51/494919651.db2.gz XSBUJWGQMLZYHW-LJQANCHMSA-N 1 1 361.489 3.322 20 30 FGEDMO C[C@@H]1SCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000118422420 495002015 /nfs/dbraw/zinc/00/20/15/495002015.db2.gz QJUWLNHJVNXKAP-LRQRDZAKSA-N 1 1 368.502 3.477 20 30 FGEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(Cl)n1 ZINC000122632471 495007028 /nfs/dbraw/zinc/00/70/28/495007028.db2.gz ANKMRDFJZUKTMX-UHFFFAOYSA-N 1 1 368.868 3.263 20 30 FGEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(Cl)n1 ZINC000122632471 495007030 /nfs/dbraw/zinc/00/70/30/495007030.db2.gz ANKMRDFJZUKTMX-UHFFFAOYSA-N 1 1 368.868 3.263 20 30 FGEDMO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000097056669 495021578 /nfs/dbraw/zinc/02/15/78/495021578.db2.gz QKCLJZRCVUWNEH-BQIYRTECSA-N 1 1 357.498 3.446 20 30 FGEDMO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000097056669 495021581 /nfs/dbraw/zinc/02/15/81/495021581.db2.gz QKCLJZRCVUWNEH-BQIYRTECSA-N 1 1 357.498 3.446 20 30 FGEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000110995943 495029013 /nfs/dbraw/zinc/02/90/13/495029013.db2.gz WEEFJLIQDXGWKB-KRWDZBQOSA-N 1 1 367.449 3.334 20 30 FGEDMO C[C@H]1CCc2c(sc3nc(CC[NH+]4CCC(C#N)CC4)nc(N)c23)C1 ZINC000111209702 495048598 /nfs/dbraw/zinc/04/85/98/495048598.db2.gz NKHBSBFGCRTIMF-LBPRGKRZSA-N 1 1 355.511 3.176 20 30 FGEDMO C[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000111503830 495083024 /nfs/dbraw/zinc/08/30/24/495083024.db2.gz JZLINYCGNZHXAE-KRWDZBQOSA-N 1 1 350.466 3.220 20 30 FGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000128402138 495091661 /nfs/dbraw/zinc/09/16/61/495091661.db2.gz GVJNGASKEQHQOA-NRFANRHFSA-N 1 1 353.441 3.332 20 30 FGEDMO C=CC1CCN(C(=O)N[C@H](CC[N@H+](C)CCOC)c2ccccc2)CC1 ZINC000111855855 495121693 /nfs/dbraw/zinc/12/16/93/495121693.db2.gz CQMLUPKSWHVRLM-HXUWFJFHSA-N 1 1 359.514 3.304 20 30 FGEDMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)ccc1C#N ZINC000571569289 505762976 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Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000571605603 505770397 /nfs/dbraw/zinc/77/03/97/505770397.db2.gz SBWKXAWNEZVUAR-UHFFFAOYSA-N 1 1 352.413 3.356 20 30 FGEDMO CC[N@@H+](Cc1c(C)nn(C)c1N1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119881918 495261277 /nfs/dbraw/zinc/26/12/77/495261277.db2.gz WNHSAIBSRNKJSY-KRWDZBQOSA-N 1 1 367.497 3.020 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2CSC)cc1 ZINC000135435203 495291987 /nfs/dbraw/zinc/29/19/87/495291987.db2.gz KHEUPTKPYQBERD-KRWDZBQOSA-N 1 1 361.511 3.159 20 30 FGEDMO N#CCCn1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(-c2ccccc2)n1 ZINC000129915995 495314125 /nfs/dbraw/zinc/31/41/25/495314125.db2.gz YCSGKBONHSPPHG-KRWDZBQOSA-N 1 1 350.466 3.465 20 30 FGEDMO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963229 495318878 /nfs/dbraw/zinc/31/88/78/495318878.db2.gz JPKICLGEGCRWFV-QGZVFWFLSA-N 1 1 363.461 3.453 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)(C)O ZINC000114204703 495353565 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CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1C#N ZINC000106791465 495497267 /nfs/dbraw/zinc/49/72/67/495497267.db2.gz GHYPCXNEEFFKFK-AWEZNQCLSA-N 1 1 370.522 3.299 20 30 FGEDMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106911500 495510759 /nfs/dbraw/zinc/51/07/59/495510759.db2.gz BBDCMZRTKTWHDZ-HNNXBMFYSA-N 1 1 353.397 3.314 20 30 FGEDMO C[N@@H+](CCc1ccc(Br)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115543365 495514390 /nfs/dbraw/zinc/51/43/90/495514390.db2.gz GKCVGZULNPYKMI-QGZVFWFLSA-N 1 1 372.266 3.022 20 30 FGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)s1 ZINC000106936694 495515071 /nfs/dbraw/zinc/51/50/71/495515071.db2.gz GUSNRSPRMNNJSI-PBHICJAKSA-N 1 1 359.495 3.259 20 30 FGEDMO CC[C@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000115577701 495519051 /nfs/dbraw/zinc/51/90/51/495519051.db2.gz CCJJHWWOTYTQLQ-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO CC[C@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000115577701 495519054 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CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(F)c(C#N)c3)cc2F)CC1 ZINC000170844915 495624090 /nfs/dbraw/zinc/62/40/90/495624090.db2.gz FPEMQASAWOIJBB-UHFFFAOYSA-N 1 1 370.403 3.231 20 30 FGEDMO C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182601253 495631684 /nfs/dbraw/zinc/63/16/84/495631684.db2.gz AJWZPIQIHIDNAW-AEFFLSMTSA-N 1 1 370.497 3.041 20 30 FGEDMO Cc1ccccc1C[NH+]1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000170936976 495659622 /nfs/dbraw/zinc/65/96/22/495659622.db2.gz NZJVYVFUNVOJRR-UHFFFAOYSA-N 1 1 366.440 3.033 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c(C#N)c1C ZINC000154611357 495671259 /nfs/dbraw/zinc/67/12/59/495671259.db2.gz KOYZZJCJOQURSF-IBGZPJMESA-N 1 1 369.465 3.226 20 30 FGEDMO COC(=O)[C@@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000185672185 495672152 /nfs/dbraw/zinc/67/21/52/495672152.db2.gz XWUCCXKFVFRZEY-ZTNFWEORSA-N 1 1 355.482 3.015 20 30 FGEDMO COc1cc(C#N)ccc1OCCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694894 495684234 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XJWAPNYSCUSCAC-VQIMIIECSA-N 1 1 354.498 3.353 20 30 FGEDMO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)C3CCCCC3)cc2F)CC1 ZINC000176623917 495725870 /nfs/dbraw/zinc/72/58/70/495725870.db2.gz IHMALZWZHSVZLT-LJQANCHMSA-N 1 1 372.488 3.170 20 30 FGEDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571730802 505800739 /nfs/dbraw/zinc/80/07/39/505800739.db2.gz TVUKGIYIRLICAZ-IIBYNOLFSA-N 1 1 354.425 3.239 20 30 FGEDMO CCC(CC)[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+]1CCOCC1 ZINC000179856887 495760490 /nfs/dbraw/zinc/76/04/90/495760490.db2.gz WJVSZBVKAPLYIH-HXUWFJFHSA-N 1 1 369.509 3.109 20 30 FGEDMO C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182939696 495766450 /nfs/dbraw/zinc/76/64/50/495766450.db2.gz VOISDKLRFXVHHY-VQIMIIECSA-N 1 1 354.498 3.353 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000174145864 495836511 /nfs/dbraw/zinc/83/65/11/495836511.db2.gz VXXXFQWXXRJJKA-OALUTQOASA-N 1 1 357.498 3.297 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(CC4CC4)CC3)C2)c(F)c1 ZINC000160136278 495892768 /nfs/dbraw/zinc/89/27/68/495892768.db2.gz LMZNCVJQPUINDX-LJQANCHMSA-N 1 1 356.489 3.130 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000151677571 495916391 /nfs/dbraw/zinc/91/63/91/495916391.db2.gz UGUJQKCNGZNZJN-DOTOQJQBSA-N 1 1 373.840 3.331 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1Cl ZINC000151677571 495916398 /nfs/dbraw/zinc/91/63/98/495916398.db2.gz UGUJQKCNGZNZJN-DOTOQJQBSA-N 1 1 373.840 3.331 20 30 FGEDMO CCN(C(=O)c1ccccc1OCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186327181 495949930 /nfs/dbraw/zinc/94/99/30/495949930.db2.gz JSXPLCDGXJGSIO-LJQANCHMSA-N 1 1 363.461 3.326 20 30 FGEDMO COc1ccc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)cc1C#N ZINC000186496452 496019641 /nfs/dbraw/zinc/01/96/41/496019641.db2.gz JOMGVTNDEPGSPC-UHFFFAOYSA-N 1 1 358.388 3.329 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC2(O)CCCC2)c1 ZINC000152084231 496043121 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HUNAHTKATBHVIU-NSHDSACASA-N 1 1 356.239 3.398 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)C[C@H]2CCOC2)c1C#N ZINC000178764497 496562371 /nfs/dbraw/zinc/56/23/71/496562371.db2.gz SNALGVDYAHYRKC-QGZVFWFLSA-N 1 1 372.513 3.389 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000187766358 496563286 /nfs/dbraw/zinc/56/32/86/496563286.db2.gz XVJFNJOSQFUJMD-WIYYLYMNSA-N 1 1 359.514 3.010 20 30 FGEDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000184875656 496567678 /nfs/dbraw/zinc/56/76/78/496567678.db2.gz ZCNCOROMHOHPRY-CRAIPNDOSA-N 1 1 363.417 3.304 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@@H]3CCOC3)sc2C1 ZINC000178777375 496567709 /nfs/dbraw/zinc/56/77/09/496567709.db2.gz HRAADSINSBDMEJ-KGLIPLIRSA-N 1 1 361.511 3.041 20 30 FGEDMO CC(C)(C)c1nsc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000157849013 496570115 /nfs/dbraw/zinc/57/01/15/496570115.db2.gz PHROWQZNUDBFBY-UHFFFAOYSA-N 1 1 355.511 3.420 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CCc2nccs2)c1C ZINC000157879200 496575529 /nfs/dbraw/zinc/57/55/29/496575529.db2.gz DNGAFWGFEIGNJL-UHFFFAOYSA-N 1 1 356.495 3.181 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CCc2nccs2)c1C ZINC000157879200 496575536 /nfs/dbraw/zinc/57/55/36/496575536.db2.gz DNGAFWGFEIGNJL-UHFFFAOYSA-N 1 1 356.495 3.181 20 30 FGEDMO Cc1ccc(C(=O)NC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)s1 ZINC000158045248 496615369 /nfs/dbraw/zinc/61/53/69/496615369.db2.gz QFBKTFOAPAYARM-UHFFFAOYSA-N 1 1 356.466 3.442 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(F)cc(C#N)cc1F ZINC000153911972 496621462 /nfs/dbraw/zinc/62/14/62/496621462.db2.gz LJKVXMUOZHIJGQ-MRXNPFEDSA-N 1 1 369.415 3.431 20 30 FGEDMO N#Cc1ccc(C2(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000187967673 496634993 /nfs/dbraw/zinc/63/49/93/496634993.db2.gz LPIIEBSEFVMVDW-OAQYLSRUSA-N 1 1 359.473 3.371 20 30 FGEDMO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185062571 496643088 /nfs/dbraw/zinc/64/30/88/496643088.db2.gz WNROMVCDVAPQHN-ZDUSSCGKSA-N 1 1 352.369 3.477 20 30 FGEDMO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185079629 496650384 /nfs/dbraw/zinc/65/03/84/496650384.db2.gz PCNNYJXOPJFOMC-CYBMUJFWSA-N 1 1 352.369 3.477 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000185304863 496726776 /nfs/dbraw/zinc/72/67/76/496726776.db2.gz IQDLNLIYAUFJOZ-CVEARBPZSA-N 1 1 358.388 3.066 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000246949530 496731954 /nfs/dbraw/zinc/73/19/54/496731954.db2.gz IALFXGSSOUJDPP-NIYFSFCBSA-N 1 1 373.518 3.024 20 30 FGEDMO CN(C(=O)Nc1cccc(OCC#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268560959 496736677 /nfs/dbraw/zinc/73/66/77/496736677.db2.gz PEUMQRVRTNTEBB-IBGZPJMESA-N 1 1 364.449 3.327 20 30 FGEDMO Cc1cnc(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)s1 ZINC000277363879 496750194 /nfs/dbraw/zinc/75/01/94/496750194.db2.gz GSCOXIVWZPAITQ-SFHVURJKSA-N 1 1 366.490 3.308 20 30 FGEDMO C=CCn1c(-c2scnc2C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000572000363 505866402 /nfs/dbraw/zinc/86/64/02/505866402.db2.gz HHFBJPISIOWRON-UHFFFAOYSA-N 1 1 372.542 3.351 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273395671 496793518 /nfs/dbraw/zinc/79/35/18/496793518.db2.gz FXHFJUIEPJLJQL-NSHGMRRFSA-N 1 1 361.461 3.032 20 30 FGEDMO COc1ccc(NC(=[NH2+])NC[C@@H](c2cccs2)N2CCCC2)cc1OC ZINC000264067915 496804564 /nfs/dbraw/zinc/80/45/64/496804564.db2.gz FKFJGVIWQQPUKA-HNNXBMFYSA-N 1 1 374.510 3.329 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4sccc4[nH]3)CC2)cc1 ZINC000188496489 496809945 /nfs/dbraw/zinc/80/99/45/496809945.db2.gz VASDCKNNASSUBZ-UHFFFAOYSA-N 1 1 364.474 3.449 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4sccc4[nH]3)CC2)cc1 ZINC000188496489 496809949 /nfs/dbraw/zinc/80/99/49/496809949.db2.gz VASDCKNNASSUBZ-UHFFFAOYSA-N 1 1 364.474 3.449 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)NCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000273475186 496816293 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371.872 3.318 20 30 FGEDMO C=CCCO[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247989637 496940159 /nfs/dbraw/zinc/94/01/59/496940159.db2.gz JFRCJRJOSFTJCB-GIVPXCGWSA-N 1 1 356.510 3.481 20 30 FGEDMO C[C@@H](C[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nccs1 ZINC000248444405 497014039 /nfs/dbraw/zinc/01/40/39/497014039.db2.gz FXKAAUGPZPGUCE-YOEHRIQHSA-N 1 1 354.479 3.246 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189161316 497028741 /nfs/dbraw/zinc/02/87/41/497028741.db2.gz YOKGTBOBVIEHEI-UGSOOPFHSA-N 1 1 361.873 3.430 20 30 FGEDMO CCc1cccc2c1OCC[C@H]2[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000569214138 505880384 /nfs/dbraw/zinc/88/03/84/505880384.db2.gz NZDNRDAQIKAKED-LJQANCHMSA-N 1 1 370.474 3.008 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cccc(F)c1C#N)C1CC1 ZINC000189173785 497033451 /nfs/dbraw/zinc/03/34/51/497033451.db2.gz SESASBFDCDYRNV-HXUWFJFHSA-N 1 1 351.425 3.338 20 30 FGEDMO C#CC[NH+]1CCC(c2nc(C(C)(C)c3ccc(OC)c(OC)c3)no2)CC1 ZINC000278244999 497049450 /nfs/dbraw/zinc/04/94/50/497049450.db2.gz QYQUBFXLENWERS-UHFFFAOYSA-N 1 1 369.465 3.225 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000265202239 497070191 /nfs/dbraw/zinc/07/01/91/497070191.db2.gz RFEGXQNDFRVTAE-UWVAXJGDSA-N 1 1 372.513 3.055 20 30 FGEDMO C#CC[C@H](NC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C)c1ccccc1 ZINC000270176544 497071300 /nfs/dbraw/zinc/07/13/00/497071300.db2.gz DFUSGUPDJKCWPP-NRSPTQNISA-N 1 1 371.525 3.187 20 30 FGEDMO CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC[C@@H]1C ZINC000189295726 497072332 /nfs/dbraw/zinc/07/23/32/497072332.db2.gz GUVMVGLDFMFXSY-KBXCAEBGSA-N 1 1 363.889 3.252 20 30 FGEDMO CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC[C@@H]1C ZINC000189295726 497072337 /nfs/dbraw/zinc/07/23/37/497072337.db2.gz GUVMVGLDFMFXSY-KBXCAEBGSA-N 1 1 363.889 3.252 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(C)(C#N)CC1 ZINC000274382675 497084305 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ZINC000331179867 498270607 /nfs/dbraw/zinc/27/06/07/498270607.db2.gz MKQKEEDEZKBEPR-WDEREUQCSA-N 1 1 360.285 3.234 20 30 FGEDMO CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000331196502 498273515 /nfs/dbraw/zinc/27/35/15/498273515.db2.gz UPYIAESHSVKKEZ-ZIAGYGMSSA-N 1 1 367.921 3.397 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1OC ZINC000289747060 498274184 /nfs/dbraw/zinc/27/41/84/498274184.db2.gz QKMRQYVRAJYKSG-GJZGRUSLSA-N 1 1 359.388 3.253 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@]3(CO)Cc3ccccc3)o2)cc1 ZINC000365060501 498276643 /nfs/dbraw/zinc/27/66/43/498276643.db2.gz GPHCZWAHLLGEPM-JOCHJYFZSA-N 1 1 374.444 3.178 20 30 FGEDMO CN(C(=O)CCCCOc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286077743 498286258 /nfs/dbraw/zinc/28/62/58/498286258.db2.gz CSFMATFTHXSTIT-DFNIBXOVSA-N 1 1 355.482 3.191 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(F)c1 ZINC000360599813 498288292 /nfs/dbraw/zinc/28/82/92/498288292.db2.gz HGLSLDRBDLXIBC-KRWDZBQOSA-N 1 1 353.445 3.395 20 30 FGEDMO C[C@H](NC(=O)[C@]1(C#N)CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000360715385 498301220 /nfs/dbraw/zinc/30/12/20/498301220.db2.gz GRNJGQQQUKJDNG-KPDCDPCYSA-N 1 1 365.521 3.454 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365127107 498310563 /nfs/dbraw/zinc/31/05/63/498310563.db2.gz TWSMESLVYPSPNV-QZTJIDSGSA-N 1 1 369.509 3.220 20 30 FGEDMO N#CC1(CCC[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)CCOCC1 ZINC000281907955 498314075 /nfs/dbraw/zinc/31/40/75/498314075.db2.gz GGABJVPPSAELGX-CRAIPNDOSA-N 1 1 350.409 3.173 20 30 FGEDMO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281910383 498315365 /nfs/dbraw/zinc/31/53/65/498315365.db2.gz GLELMZPAWMQAJU-LJQANCHMSA-N 1 1 358.482 3.193 20 30 FGEDMO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281910383 498315372 /nfs/dbraw/zinc/31/53/72/498315372.db2.gz GLELMZPAWMQAJU-LJQANCHMSA-N 1 1 358.482 3.193 20 30 FGEDMO N#CC1(CCC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000281932455 498324371 /nfs/dbraw/zinc/32/43/71/498324371.db2.gz IEHCHVILHJBCDC-UHFFFAOYSA-N 1 1 359.489 3.434 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000361109285 498347199 /nfs/dbraw/zinc/34/71/99/498347199.db2.gz SXHBQBLMAVBHGN-FSPWUOQZSA-N 1 1 364.440 3.290 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000361109285 498347202 /nfs/dbraw/zinc/34/72/02/498347202.db2.gz SXHBQBLMAVBHGN-FSPWUOQZSA-N 1 1 364.440 3.290 20 30 FGEDMO Cc1cnn([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)c1 ZINC000289970803 498375484 /nfs/dbraw/zinc/37/54/84/498375484.db2.gz RCZGJVPMUXPYFF-SFHVURJKSA-N 1 1 371.872 3.039 20 30 FGEDMO Cc1cnn([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)c1 ZINC000289970803 498375491 /nfs/dbraw/zinc/37/54/91/498375491.db2.gz RCZGJVPMUXPYFF-SFHVURJKSA-N 1 1 371.872 3.039 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CO)c1C#N ZINC000331583971 498382058 /nfs/dbraw/zinc/38/20/58/498382058.db2.gz JNWZBFJUSMPAHK-AUUYWEPGSA-N 1 1 372.513 3.123 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c1C#N ZINC000331583971 498382062 /nfs/dbraw/zinc/38/20/62/498382062.db2.gz JNWZBFJUSMPAHK-AUUYWEPGSA-N 1 1 372.513 3.123 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000361744666 498425573 /nfs/dbraw/zinc/42/55/73/498425573.db2.gz NOAFCAKQOHSWSN-CYBMUJFWSA-N 1 1 357.845 3.072 20 30 FGEDMO N#CCCn1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c(-c2ccccc2)n1 ZINC000572702212 506032325 /nfs/dbraw/zinc/03/23/25/506032325.db2.gz JVHDXDDDYDNZKN-HXUWFJFHSA-N 1 1 350.466 3.465 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c(-c2ccccc2)n1 ZINC000572702212 506032327 /nfs/dbraw/zinc/03/23/27/506032327.db2.gz JVHDXDDDYDNZKN-HXUWFJFHSA-N 1 1 350.466 3.465 20 30 FGEDMO Cc1oc(C#N)cc1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000331764275 498445881 /nfs/dbraw/zinc/44/58/81/498445881.db2.gz FWVHFLUQBXIQCL-KBPBESRZSA-N 1 1 353.422 3.321 20 30 FGEDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC000362016769 498454181 /nfs/dbraw/zinc/45/41/81/498454181.db2.gz ZQDNTSUEDYYKIT-UHFFFAOYSA-N 1 1 358.463 3.246 20 30 FGEDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2Cc2ccccc2C(C)(C)C#N)O1 ZINC000282361267 498480218 /nfs/dbraw/zinc/48/02/18/498480218.db2.gz DIWISFZRFNXVPD-AXUOBQJMSA-N 1 1 356.466 3.171 20 30 FGEDMO C#CCNc1nc(N[C@@H](C)c2ccccn2)nc(N[C@@H](C)c2ccccn2)[nH+]1 ZINC000286737256 498493555 /nfs/dbraw/zinc/49/35/55/498493555.db2.gz DZSJHTOZLQIDFS-GJZGRUSLSA-N 1 1 374.452 3.053 20 30 FGEDMO C#CCNc1nc(N[C@@H](C)c2ccccn2)[nH+]c(N[C@@H](C)c2ccccn2)n1 ZINC000286737256 498493547 /nfs/dbraw/zinc/49/35/47/498493547.db2.gz DZSJHTOZLQIDFS-GJZGRUSLSA-N 1 1 374.452 3.053 20 30 FGEDMO CC[C@@H](CC#N)[NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000578879026 506043610 /nfs/dbraw/zinc/04/36/10/506043610.db2.gz KOAXNNRQVODYDI-HNNXBMFYSA-N 1 1 353.388 3.478 20 30 FGEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCC(C#N)CC1 ZINC000331978984 498521037 /nfs/dbraw/zinc/52/10/37/498521037.db2.gz DZSNLLMJXRIENY-FQEVSTJZSA-N 1 1 368.525 3.405 20 30 FGEDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302664345 498526706 /nfs/dbraw/zinc/52/67/06/498526706.db2.gz MIEDNJLRIUXOPA-AWEZNQCLSA-N 1 1 354.420 3.263 20 30 FGEDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000365632379 498568738 /nfs/dbraw/zinc/56/87/38/498568738.db2.gz SOQSCIYYYPVCRF-CQSZACIVSA-N 1 1 359.271 3.434 20 30 FGEDMO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287039201 498602702 /nfs/dbraw/zinc/60/27/02/498602702.db2.gz STBFLWCBXQYGFF-KBXCAEBGSA-N 1 1 360.889 3.099 20 30 FGEDMO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287039201 498602705 /nfs/dbraw/zinc/60/27/05/498602705.db2.gz STBFLWCBXQYGFF-KBXCAEBGSA-N 1 1 360.889 3.099 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1C ZINC000365731005 498616156 /nfs/dbraw/zinc/61/61/56/498616156.db2.gz JREWZDFMDHOZFI-UIFIKXQLSA-N 1 1 369.509 3.295 20 30 FGEDMO N#Cc1ccsc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365744389 498621682 /nfs/dbraw/zinc/62/16/82/498621682.db2.gz WUKNTJIFKHYIBC-ZWKOTPCHSA-N 1 1 351.475 3.214 20 30 FGEDMO N#Cc1cncnc1NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000572836988 506064501 /nfs/dbraw/zinc/06/45/01/506064501.db2.gz HELWVZDJPLXDEU-UHFFFAOYSA-N 1 1 362.264 3.153 20 30 FGEDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000365793767 498642780 /nfs/dbraw/zinc/64/27/80/498642780.db2.gz QLVHWZPWNGMFGN-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000365793767 498642786 /nfs/dbraw/zinc/64/27/86/498642786.db2.gz QLVHWZPWNGMFGN-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@](CO)(Cc4ccccc4)C3)n2c1 ZINC000365832678 498661175 /nfs/dbraw/zinc/66/11/75/498661175.db2.gz ZCTRHOAOTZHDAT-QFIPXVFZSA-N 1 1 360.461 3.023 20 30 FGEDMO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C)[NH+](C)C)cc1 ZINC000303845556 498721111 /nfs/dbraw/zinc/72/11/11/498721111.db2.gz NQFOFPFFPGFXLX-LJQANCHMSA-N 1 1 371.506 3.010 20 30 FGEDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000283016665 498746374 /nfs/dbraw/zinc/74/63/74/498746374.db2.gz NQSQBONOUMTMAX-UHFFFAOYSA-N 1 1 367.331 3.174 20 30 FGEDMO COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1C ZINC000298377965 498750801 /nfs/dbraw/zinc/75/08/01/498750801.db2.gz BXEJOMFYAVNOCN-GXTWGEPZSA-N 1 1 353.422 3.212 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)[C@H]2C1 ZINC000283054809 498760944 /nfs/dbraw/zinc/76/09/44/498760944.db2.gz RITIGYDLAGNGJL-RISCZKNCSA-N 1 1 368.359 3.015 20 30 FGEDMO Cc1cc(N2CCC(NC(=O)c3cc(C#N)ccc3Cl)CC2)nc(C)[nH+]1 ZINC000287481188 498771822 /nfs/dbraw/zinc/77/18/22/498771822.db2.gz MVABJFPJCQZTMD-UHFFFAOYSA-N 1 1 369.856 3.017 20 30 FGEDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000332717088 498772948 /nfs/dbraw/zinc/77/29/48/498772948.db2.gz WHNUCEWATQUCCM-FZMZJTMJSA-N 1 1 368.359 3.157 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000287592998 498807859 /nfs/dbraw/zinc/80/78/59/498807859.db2.gz CVUCAIFNLTYASL-OAQYLSRUSA-N 1 1 354.425 3.412 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000291175126 498829755 /nfs/dbraw/zinc/82/97/55/498829755.db2.gz RIBNGPSUTMSBIC-OAHLLOKOSA-N 1 1 351.410 3.383 20 30 FGEDMO CSCC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nnc2ccccn21 ZINC000287706036 498842562 /nfs/dbraw/zinc/84/25/62/498842562.db2.gz NEQSDIUBMVKKRL-QGZVFWFLSA-N 1 1 367.478 3.216 20 30 FGEDMO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1nc(C2CC2)no1 ZINC000298738948 498865070 /nfs/dbraw/zinc/86/50/70/498865070.db2.gz BUAHTWOXEIQXBG-QGZVFWFLSA-N 1 1 353.426 3.134 20 30 FGEDMO CCCCC[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000298767037 498871946 /nfs/dbraw/zinc/87/19/46/498871946.db2.gz RVJKEBAMZWLJEG-INIZCTEOSA-N 1 1 354.454 3.412 20 30 FGEDMO CCCCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000298767037 498871953 /nfs/dbraw/zinc/87/19/53/498871953.db2.gz RVJKEBAMZWLJEG-INIZCTEOSA-N 1 1 354.454 3.412 20 30 FGEDMO CC1(C)CN(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000328619612 498878331 /nfs/dbraw/zinc/87/83/31/498878331.db2.gz WBSHWQAITKSUGC-VWXURSGXSA-N 1 1 372.513 3.029 20 30 FGEDMO O=C(CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CCCCC1 ZINC000328664634 498896099 /nfs/dbraw/zinc/89/60/99/498896099.db2.gz BXBWHBAHGOENLT-GOSISDBHSA-N 1 1 358.486 3.054 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CC[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000328746985 498924441 /nfs/dbraw/zinc/92/44/41/498924441.db2.gz ASQAZNPEHVUWBQ-QZTJIDSGSA-N 1 1 372.513 3.481 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000328785726 498937410 /nfs/dbraw/zinc/93/74/10/498937410.db2.gz OIPYJOUSTJKSAZ-CJNGLKHVSA-N 1 1 365.424 3.291 20 30 FGEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328787104 498939531 /nfs/dbraw/zinc/93/95/31/498939531.db2.gz LBKXXAQFECMDBV-LBTBCDHLSA-N 1 1 366.889 3.487 20 30 FGEDMO Cc1nc(C(C)(C)C)sc1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000328791846 498941036 /nfs/dbraw/zinc/94/10/36/498941036.db2.gz ZMNNGIJAUMQPKT-UHFFFAOYSA-N 1 1 361.515 3.456 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000328803341 498942789 /nfs/dbraw/zinc/94/27/89/498942789.db2.gz CLWRMVMKRSSKRW-FQEVSTJZSA-N 1 1 369.509 3.299 20 30 FGEDMO CCc1nc(CN2CCC[C@H]([N@@H+](C)[C@H](C)c3cccc(C#N)c3)C2)no1 ZINC000363685097 498944745 /nfs/dbraw/zinc/94/47/45/498944745.db2.gz DHEZWDNGTRWGPO-QAPCUYQASA-N 1 1 353.470 3.161 20 30 FGEDMO C[N@@H+](CCNC(=O)N[C@H]1CCCC12CCOCC2)Cc1ccc(F)cc1 ZINC000328866011 498966065 /nfs/dbraw/zinc/96/60/65/498966065.db2.gz ZUHWCCNCVWFKNK-SFHVURJKSA-N 1 1 363.477 3.110 20 30 FGEDMO C=C(CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)c1ccccc1 ZINC000288199072 498966408 /nfs/dbraw/zinc/96/64/08/498966408.db2.gz NYHKGQDSHKPAAT-OAQYLSRUSA-N 1 1 350.462 3.014 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C ZINC000328890221 498975475 /nfs/dbraw/zinc/97/54/75/498975475.db2.gz RNIBBPJYWXOBKA-WOJBJXKFSA-N 1 1 371.525 3.427 20 30 FGEDMO C[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)[C@@H](c2ccccc2)C1 ZINC000328919497 498986308 /nfs/dbraw/zinc/98/63/08/498986308.db2.gz LKVOTCLBCBNEOA-WBVHZDCISA-N 1 1 351.406 3.069 20 30 FGEDMO C=CCn1c(CC(C)C)nnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000570248836 506123424 /nfs/dbraw/zinc/12/34/24/506123424.db2.gz VVAQSPXWCSFGLK-BGYRXZFFSA-N 1 1 365.525 3.231 20 30 FGEDMO CC(=O)N1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC12CCCCC2 ZINC000329020941 499016817 /nfs/dbraw/zinc/01/68/17/499016817.db2.gz HUVPEAYGSKSPOH-UHFFFAOYSA-N 1 1 368.481 3.403 20 30 FGEDMO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000329057582 499029498 /nfs/dbraw/zinc/02/94/98/499029498.db2.gz SYCXVLOUTAOWQG-JSFLRXOQSA-N 1 1 358.486 3.481 20 30 FGEDMO Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)C2)n1 ZINC000329057582 499029505 /nfs/dbraw/zinc/02/95/05/499029505.db2.gz SYCXVLOUTAOWQG-JSFLRXOQSA-N 1 1 358.486 3.481 20 30 FGEDMO CC1(C)C[C@@H](O)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000295623331 499066052 /nfs/dbraw/zinc/06/60/52/499066052.db2.gz ZIGYNMZGZFDCEW-KRWDZBQOSA-N 1 1 363.889 3.070 20 30 FGEDMO Cc1noc([C@@H]2CCCCN2C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000329234371 499079856 /nfs/dbraw/zinc/07/98/56/499079856.db2.gz HRUQLXCQEFMPMS-ZBFHGGJFSA-N 1 1 363.506 3.330 20 30 FGEDMO Cc1c(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cccc1C(=O)N1CCOCC1 ZINC000329247109 499083291 /nfs/dbraw/zinc/08/32/91/499083291.db2.gz RONCVJSRGUSTNC-KRWDZBQOSA-N 1 1 373.497 3.320 20 30 FGEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000295700574 499083926 /nfs/dbraw/zinc/08/39/26/499083926.db2.gz MLVWQGZDZSVONV-WOSRLPQWSA-N 1 1 353.388 3.226 20 30 FGEDMO 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ZINC000367418273 499196758 /nfs/dbraw/zinc/19/67/58/499196758.db2.gz GUWXYOSZEUIUFT-SJLPKXTDSA-N 1 1 366.465 3.293 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc2ccc(C#N)cn12 ZINC000367439192 499199003 /nfs/dbraw/zinc/19/90/03/499199003.db2.gz SAQANBNBKNUHSD-UWJYYQICSA-N 1 1 359.477 3.206 20 30 FGEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000367439192 499199006 /nfs/dbraw/zinc/19/90/06/499199006.db2.gz SAQANBNBKNUHSD-UWJYYQICSA-N 1 1 359.477 3.206 20 30 FGEDMO CC(C)(CCC#N)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367674813 499223813 /nfs/dbraw/zinc/22/38/13/499223813.db2.gz WHNACLMQXDDNRL-OAQYLSRUSA-N 1 1 354.542 3.208 20 30 FGEDMO CC(C)(CCC#N)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367674813 499223814 /nfs/dbraw/zinc/22/38/14/499223814.db2.gz WHNACLMQXDDNRL-OAQYLSRUSA-N 1 1 354.542 3.208 20 30 FGEDMO Cc1ccc2ncc(C#N)c(N3CC[N@H+](C4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000368184645 499272488 /nfs/dbraw/zinc/27/24/88/499272488.db2.gz KTXFKVFJKBKVGS-QGZVFWFLSA-N 1 1 363.509 3.020 20 30 FGEDMO Cc1ccc2ncc(C#N)c(N3CC[N@@H+](C4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000368184645 499272490 /nfs/dbraw/zinc/27/24/90/499272490.db2.gz KTXFKVFJKBKVGS-QGZVFWFLSA-N 1 1 363.509 3.020 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(C#N)c1C ZINC000368230519 499276379 /nfs/dbraw/zinc/27/63/79/499276379.db2.gz DISRTCIFKVALSP-JQHSSLGASA-N 1 1 359.470 3.112 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(C#N)c1C ZINC000368230519 499276380 /nfs/dbraw/zinc/27/63/80/499276380.db2.gz DISRTCIFKVALSP-JQHSSLGASA-N 1 1 359.470 3.112 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]3OCC[C@H]32)sc2c1CCCC2 ZINC000368448910 499297140 /nfs/dbraw/zinc/29/71/40/499297140.db2.gz GFHUFAHUUBCQSV-HZPDHXFCSA-N 1 1 359.495 3.080 20 30 FGEDMO Cc1c([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)cnn1C ZINC000368461968 499298510 /nfs/dbraw/zinc/29/85/10/499298510.db2.gz MTELPVDKBBXFDE-HXUWFJFHSA-N 1 1 360.465 3.338 20 30 FGEDMO N#CCCCCNC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368614271 499313998 /nfs/dbraw/zinc/31/39/98/499313998.db2.gz PGZFBAROONNTIX-XUVXKRRUSA-N 1 1 354.498 3.280 20 30 FGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000372090885 499398171 /nfs/dbraw/zinc/39/81/71/499398171.db2.gz SHPNUSXAHTUFKX-OALUTQOASA-N 1 1 366.465 3.257 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000372139240 499402909 /nfs/dbraw/zinc/40/29/09/499402909.db2.gz ZHHUYXLLCIKAMT-VLIAUNLRSA-N 1 1 372.444 3.201 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000372139240 499402911 /nfs/dbraw/zinc/40/29/11/499402911.db2.gz ZHHUYXLLCIKAMT-VLIAUNLRSA-N 1 1 372.444 3.201 20 30 FGEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)cc1 ZINC000369627135 499428108 /nfs/dbraw/zinc/42/81/08/499428108.db2.gz DKYGFXAIPFTCBH-UXHICEINSA-N 1 1 364.493 3.154 20 30 FGEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nnc(-c3ccncc3F)s2)cc1 ZINC000373471320 499471843 /nfs/dbraw/zinc/47/18/43/499471843.db2.gz BEGGMJGKGJESDW-LBPRGKRZSA-N 1 1 369.425 3.320 20 30 FGEDMO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000373502408 499473643 /nfs/dbraw/zinc/47/36/43/499473643.db2.gz YDGKKRVCFHXTSB-RHSMWYFYSA-N 1 1 350.532 3.317 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375291266 499503450 /nfs/dbraw/zinc/50/34/50/499503450.db2.gz GHFSZGOFRMJBAF-UZLBHIALSA-N 1 1 373.522 3.379 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375291266 499503451 /nfs/dbraw/zinc/50/34/51/499503451.db2.gz GHFSZGOFRMJBAF-UZLBHIALSA-N 1 1 373.522 3.379 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1OC ZINC000375420240 499517090 /nfs/dbraw/zinc/51/70/90/499517090.db2.gz RRUBVODZOZQNKC-UEXGIBASSA-N 1 1 361.482 3.012 20 30 FGEDMO N#Cc1cnccc1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000579328068 506148484 /nfs/dbraw/zinc/14/84/84/506148484.db2.gz ZTYDSFVKXZZVPJ-UHFFFAOYSA-N 1 1 371.282 3.214 20 30 FGEDMO C[C@@]1(CNc2ncc([N+](=O)[O-])cc2C#N)CCC[N@H+]1Cc1ccccc1 ZINC000397897317 499564876 /nfs/dbraw/zinc/56/48/76/499564876.db2.gz VKVRWKWZERKJIP-IBGZPJMESA-N 1 1 351.410 3.328 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1C#N ZINC000398005510 499565415 /nfs/dbraw/zinc/56/54/15/499565415.db2.gz ATWSVDDKHBZDMR-KSSFIOAISA-N 1 1 351.410 3.184 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000375891957 499565637 /nfs/dbraw/zinc/56/56/37/499565637.db2.gz SMHNDMZBTBRUQV-QGZVFWFLSA-N 1 1 373.472 3.353 20 30 FGEDMO N#Cc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000404045101 499569688 /nfs/dbraw/zinc/56/96/88/499569688.db2.gz CFLNFCYADVDOON-FQEVSTJZSA-N 1 1 353.441 3.078 20 30 FGEDMO N#Cc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)cc1F ZINC000404045101 499569690 /nfs/dbraw/zinc/56/96/90/499569690.db2.gz CFLNFCYADVDOON-FQEVSTJZSA-N 1 1 353.441 3.078 20 30 FGEDMO N#Cc1ccc(CNC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000404045102 499569912 /nfs/dbraw/zinc/56/99/12/499569912.db2.gz CFLNFCYADVDOON-HXUWFJFHSA-N 1 1 353.441 3.078 20 30 FGEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)cc1F ZINC000404045102 499569913 /nfs/dbraw/zinc/56/99/13/499569913.db2.gz CFLNFCYADVDOON-HXUWFJFHSA-N 1 1 353.441 3.078 20 30 FGEDMO Cn1cc[nH+]c1CC1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000376060898 499579890 /nfs/dbraw/zinc/57/98/90/499579890.db2.gz ZRYZVGGXFHJPOV-UHFFFAOYSA-N 1 1 368.456 3.190 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(CNc2nc3cc(Cl)ccn3c2C#N)cn1 ZINC000376105057 499583294 /nfs/dbraw/zinc/58/32/94/499583294.db2.gz WGSNHRFGSVQSOL-UHFFFAOYSA-N 1 1 363.812 3.361 20 30 FGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000376439144 499608739 /nfs/dbraw/zinc/60/87/39/499608739.db2.gz AXTKKFJJWDQANE-NHCUHLMSSA-N 1 1 357.498 3.196 20 30 FGEDMO N#Cc1ccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)cc1Br ZINC000376620637 499623699 /nfs/dbraw/zinc/62/36/99/499623699.db2.gz GZYLQDBACNMVJH-UHFFFAOYSA-N 1 1 374.242 3.455 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000570374769 506153132 /nfs/dbraw/zinc/15/31/32/506153132.db2.gz DTTITCDJJWTPNT-QRQLOZEOSA-N 1 1 357.498 3.343 20 30 FGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000410313021 499654266 /nfs/dbraw/zinc/65/42/66/499654266.db2.gz JHZWYWFIHWMKFO-UHFFFAOYSA-N 1 1 354.454 3.258 20 30 FGEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N(C2CC2)C2(C#N)CCC2)[C@H](C(F)(F)F)C1 ZINC000410751264 499676801 /nfs/dbraw/zinc/67/68/01/499676801.db2.gz VWMOKULPDCPKSS-ZIAGYGMSSA-N 1 1 357.420 3.332 20 30 FGEDMO COCc1nccc([C@@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)n1 ZINC000377440728 499690850 /nfs/dbraw/zinc/69/08/50/499690850.db2.gz XKUNSCQDENZIQS-MRXNPFEDSA-N 1 1 361.449 3.127 20 30 FGEDMO COCc1nccc([C@@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)n1 ZINC000377440728 499690852 /nfs/dbraw/zinc/69/08/52/499690852.db2.gz XKUNSCQDENZIQS-MRXNPFEDSA-N 1 1 361.449 3.127 20 30 FGEDMO N#CC1(CC[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CCCCC1 ZINC000411158751 499704367 /nfs/dbraw/zinc/70/43/67/499704367.db2.gz XKQLELUSNPXOQG-UHFFFAOYSA-N 1 1 372.488 3.246 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCc1cccs1 ZINC000411178343 499707295 /nfs/dbraw/zinc/70/72/95/499707295.db2.gz LPOIVOCFOPLRCK-MRXNPFEDSA-N 1 1 358.507 3.492 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)NCCc1cccs1 ZINC000411178343 499707296 /nfs/dbraw/zinc/70/72/96/499707296.db2.gz LPOIVOCFOPLRCK-MRXNPFEDSA-N 1 1 358.507 3.492 20 30 FGEDMO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C[C@@H](C)O ZINC000411271380 499719990 /nfs/dbraw/zinc/71/99/90/499719990.db2.gz GZLGRWBPLKMQTI-UONOGXRCSA-N 1 1 363.527 3.164 20 30 FGEDMO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000377843786 499741415 /nfs/dbraw/zinc/74/14/15/499741415.db2.gz RPZXUMALELOCSW-LEWJYISDSA-N 1 1 372.472 3.317 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411484277 499746359 /nfs/dbraw/zinc/74/63/59/499746359.db2.gz GNMKNJFDNOXYSC-AWEZNQCLSA-N 1 1 373.409 3.254 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411484277 499746360 /nfs/dbraw/zinc/74/63/60/499746360.db2.gz GNMKNJFDNOXYSC-AWEZNQCLSA-N 1 1 373.409 3.254 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000411483972 499746414 /nfs/dbraw/zinc/74/64/14/499746414.db2.gz GBWKQCPDKNFYRI-HNNXBMFYSA-N 1 1 358.438 3.355 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000411483972 499746417 /nfs/dbraw/zinc/74/64/17/499746417.db2.gz GBWKQCPDKNFYRI-HNNXBMFYSA-N 1 1 358.438 3.355 20 30 FGEDMO CN(CCC1(C#N)CCCCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000411563423 499763544 /nfs/dbraw/zinc/76/35/44/499763544.db2.gz BMWXMPBHIXWXHX-JOCHJYFZSA-N 1 1 355.526 3.419 20 30 FGEDMO C[N@H+](CCC1(C#N)CCCCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000411563423 499763545 /nfs/dbraw/zinc/76/35/45/499763545.db2.gz BMWXMPBHIXWXHX-JOCHJYFZSA-N 1 1 355.526 3.419 20 30 FGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000411563423 499763547 /nfs/dbraw/zinc/76/35/47/499763547.db2.gz BMWXMPBHIXWXHX-JOCHJYFZSA-N 1 1 355.526 3.419 20 30 FGEDMO C[C@@H](C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)CO)c1ccccc1 ZINC000411734926 499784383 /nfs/dbraw/zinc/78/43/83/499784383.db2.gz BUFKKVKDOAIINV-ROUUACIJSA-N 1 1 365.477 3.373 20 30 FGEDMO C[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000411980834 499808947 /nfs/dbraw/zinc/80/89/47/499808947.db2.gz HQRQGPQWVOXVMR-INIZCTEOSA-N 1 1 350.422 3.173 20 30 FGEDMO N#Cc1cc(F)ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412005649 499812331 /nfs/dbraw/zinc/81/23/31/499812331.db2.gz BJGGUUNTNJDAMJ-HXUWFJFHSA-N 1 1 354.425 3.317 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2CNc2ncc(C#N)cc2F)C[C@H](C)O1 ZINC000413061810 499908595 /nfs/dbraw/zinc/90/85/95/499908595.db2.gz QJAGOLSWLAHDOK-GASCZTMLSA-N 1 1 354.429 3.314 20 30 FGEDMO N#Cc1ncc(C(F)(F)F)cc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000413209212 499927042 /nfs/dbraw/zinc/92/70/42/499927042.db2.gz ULIZMPJYMMIVHW-LRDDRELGSA-N 1 1 350.388 3.425 20 30 FGEDMO CCOc1ccccc1C[N@@H+]1CCN(c2ncc(C#N)cc2F)[C@H](C)C1 ZINC000413285168 499936968 /nfs/dbraw/zinc/93/69/68/499936968.db2.gz QEJCNWIBGYPIAN-OAHLLOKOSA-N 1 1 354.429 3.202 20 30 FGEDMO CCOc1ccccc1C[N@H+]1CCN(c2ncc(C#N)cc2F)[C@H](C)C1 ZINC000413285168 499936969 /nfs/dbraw/zinc/93/69/69/499936969.db2.gz QEJCNWIBGYPIAN-OAHLLOKOSA-N 1 1 354.429 3.202 20 30 FGEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C(C)C)[C@@H](C)c2ccccc2)CC1 ZINC000428871558 499951992 /nfs/dbraw/zinc/95/19/92/499951992.db2.gz JQULKOBVZPAEKR-FPOVZHCZSA-N 1 1 370.541 3.150 20 30 FGEDMO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000579412232 506168057 /nfs/dbraw/zinc/16/80/57/506168057.db2.gz MFJUSVROCCKWEJ-UHFFFAOYSA-N 1 1 352.360 3.171 20 30 FGEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416237857 499991368 /nfs/dbraw/zinc/99/13/68/499991368.db2.gz CUJQOLUIYQPEHJ-UHFFFAOYSA-N 1 1 368.477 3.125 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416692978 500088855 /nfs/dbraw/zinc/08/88/55/500088855.db2.gz SIKGHVCOGLEIGC-JXXFODFXSA-N 1 1 354.498 3.355 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000429716421 500129541 /nfs/dbraw/zinc/12/95/41/500129541.db2.gz AGFPGLLSYJURIU-AWEZNQCLSA-N 1 1 368.319 3.216 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000425519420 500131311 /nfs/dbraw/zinc/13/13/11/500131311.db2.gz GJRGIRXQUUOEDM-HUUCEWRRSA-N 1 1 360.502 3.072 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000425519420 500131314 /nfs/dbraw/zinc/13/13/14/500131314.db2.gz GJRGIRXQUUOEDM-HUUCEWRRSA-N 1 1 360.502 3.072 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCCCOC1CCCCC1 ZINC000425531598 500134064 /nfs/dbraw/zinc/13/40/64/500134064.db2.gz HUYWWNAOJLYUJR-QGZVFWFLSA-N 1 1 357.498 3.407 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCCCOC1CCCCC1 ZINC000425531598 500134068 /nfs/dbraw/zinc/13/40/68/500134068.db2.gz HUYWWNAOJLYUJR-QGZVFWFLSA-N 1 1 357.498 3.407 20 30 FGEDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000425532307 500134854 /nfs/dbraw/zinc/13/48/54/500134854.db2.gz JDZQBQQLHNUNLQ-ZDUSSCGKSA-N 1 1 368.393 3.107 20 30 FGEDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000425532307 500134857 /nfs/dbraw/zinc/13/48/57/500134857.db2.gz JDZQBQQLHNUNLQ-ZDUSSCGKSA-N 1 1 368.393 3.107 20 30 FGEDMO CCOc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425534755 500136020 /nfs/dbraw/zinc/13/60/20/500136020.db2.gz GOLDPQXGNATBLO-VQIMIIECSA-N 1 1 354.450 3.390 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000425542010 500138943 /nfs/dbraw/zinc/13/89/43/500138943.db2.gz XOCSNNFRLBBWGE-KRWDZBQOSA-N 1 1 371.506 3.013 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000425542010 500138948 /nfs/dbraw/zinc/13/89/48/500138948.db2.gz XOCSNNFRLBBWGE-KRWDZBQOSA-N 1 1 371.506 3.013 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000425547122 500141096 /nfs/dbraw/zinc/14/10/96/500141096.db2.gz HUJJKASDKBORLO-HKBOAZHASA-N 1 1 371.525 3.179 20 30 FGEDMO N#Cc1cnn2cc(C[NH+]3CC(c4cccc(C(F)(F)F)c4)C3)cnc12 ZINC000582301389 506180948 /nfs/dbraw/zinc/18/09/48/506180948.db2.gz DJQPGGVCYONHOR-UHFFFAOYSA-N 1 1 357.339 3.219 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC(C)=C[C@@H](C)C2)c1C#N ZINC000430285902 500221813 /nfs/dbraw/zinc/22/18/13/500221813.db2.gz SFEGUNNOWVIMAC-CQSZACIVSA-N 1 1 366.465 3.454 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC(C)=C[C@@H](C)C2)c1C#N ZINC000430285902 500221814 /nfs/dbraw/zinc/22/18/14/500221814.db2.gz SFEGUNNOWVIMAC-CQSZACIVSA-N 1 1 366.465 3.454 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000426074796 500233143 /nfs/dbraw/zinc/23/31/43/500233143.db2.gz FTGYCOVDKFKEOH-NJDAHSKKSA-N 1 1 371.525 3.416 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000426074796 500233145 /nfs/dbraw/zinc/23/31/45/500233145.db2.gz FTGYCOVDKFKEOH-NJDAHSKKSA-N 1 1 371.525 3.416 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@@H]2CCO)ccc1OCc1cccc(C#N)c1 ZINC000426202590 500247030 /nfs/dbraw/zinc/24/70/30/500247030.db2.gz VVIVBCSBOYZARP-HXUWFJFHSA-N 1 1 366.461 3.493 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426215355 500249042 /nfs/dbraw/zinc/24/90/42/500249042.db2.gz IWFKJYGELJNUBY-USXIJHARSA-N 1 1 361.511 3.112 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000426572640 500290366 /nfs/dbraw/zinc/29/03/66/500290366.db2.gz FNVRLCIMEXHKOB-SFHVURJKSA-N 1 1 358.482 3.237 20 30 FGEDMO C=CC[NH+]1CCC(Nc2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000418861327 500327104 /nfs/dbraw/zinc/32/71/04/500327104.db2.gz GPACCELBEANYPX-UHFFFAOYSA-N 1 1 370.238 3.409 20 30 FGEDMO C=CCC[C@@H]1NC(=O)N(Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1=O ZINC000419921446 500407451 /nfs/dbraw/zinc/40/74/51/500407451.db2.gz IFCCJOGVVKETSG-APWZRJJASA-N 1 1 355.482 3.448 20 30 FGEDMO CC(C)[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000431773190 500422702 /nfs/dbraw/zinc/42/27/02/500422702.db2.gz ARIICSXEJRADEE-UXHICEINSA-N 1 1 372.513 3.078 20 30 FGEDMO CN(C)c1cc(C#N)cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000432033089 500458295 /nfs/dbraw/zinc/45/82/95/500458295.db2.gz RAMPEJHEZOGBBR-IBGZPJMESA-N 1 1 366.465 3.174 20 30 FGEDMO CC[NH+]1CCN(C[C@H](C)CNc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428103887 500469164 /nfs/dbraw/zinc/46/91/64/500469164.db2.gz PDJBYMFEQXGTBF-QGZVFWFLSA-N 1 1 369.557 3.253 20 30 FGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)nn1 ZINC000424292821 500482307 /nfs/dbraw/zinc/48/23/07/500482307.db2.gz HNSSQZLAOAHTGW-HNNXBMFYSA-N 1 1 356.474 3.189 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cscc2C#N)C[C@@H](C)O1 ZINC000432393017 500509716 /nfs/dbraw/zinc/50/97/16/500509716.db2.gz DETYZSRQZBCCAT-HUUCEWRRSA-N 1 1 369.490 3.159 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cscc2C#N)C[C@H](C)O1 ZINC000432393016 500509724 /nfs/dbraw/zinc/50/97/24/500509724.db2.gz DETYZSRQZBCCAT-GJZGRUSLSA-N 1 1 369.490 3.159 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(Cc3cccc(F)c3C#N)CC2)cc1 ZINC000428461077 500512657 /nfs/dbraw/zinc/51/26/57/500512657.db2.gz IARQWBZKIPNWSD-UHFFFAOYSA-N 1 1 353.441 3.414 20 30 FGEDMO N#Cc1ccc(Cl)c(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000428546582 500524789 /nfs/dbraw/zinc/52/47/89/500524789.db2.gz LWUZUGVYDIDEBS-MRXNPFEDSA-N 1 1 355.825 3.031 20 30 FGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCOCC1 ZINC000424640685 500533704 /nfs/dbraw/zinc/53/37/04/500533704.db2.gz IIHQMCGUJKKOTM-HXUWFJFHSA-N 1 1 356.510 3.040 20 30 FGEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000582393678 506201421 /nfs/dbraw/zinc/20/14/21/506201421.db2.gz WPFJUXIXFGSHIX-KRWDZBQOSA-N 1 1 372.513 3.231 20 30 FGEDMO N#Cc1cc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000428674829 500542066 /nfs/dbraw/zinc/54/20/66/500542066.db2.gz SOTOECCAUUDECD-SFHVURJKSA-N 1 1 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FNXVXLAYHWSZJW-HOTGVXAUSA-N 1 1 350.528 3.134 20 30 FGEDMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000451876831 501391091 /nfs/dbraw/zinc/39/10/91/501391091.db2.gz YYUNMFCCGKHORJ-OAHLLOKOSA-N 1 1 355.404 3.143 20 30 FGEDMO C=CCC[C@H](NC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000458563501 501475109 /nfs/dbraw/zinc/47/51/09/501475109.db2.gz DSQXJSXROCVCBZ-FQEVSTJZSA-N 1 1 372.557 3.409 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000459052799 501584036 /nfs/dbraw/zinc/58/40/36/501584036.db2.gz ZLWRBCCZDSDCLK-SXLOBPIMSA-N 1 1 363.546 3.406 20 30 FGEDMO N#Cc1cc2cccnc2nc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000596107359 506263234 /nfs/dbraw/zinc/26/32/34/506263234.db2.gz MQXPYIABYMUWOT-GOSISDBHSA-N 1 1 357.461 3.478 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)CC#N ZINC000459260471 501620745 /nfs/dbraw/zinc/62/07/45/501620745.db2.gz QKTSZVKQAXNNOB-SFHVURJKSA-N 1 1 357.502 3.017 20 30 FGEDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000457062427 501643307 /nfs/dbraw/zinc/64/33/07/501643307.db2.gz VCABRESVFPLZRH-UHFFFAOYSA-N 1 1 364.449 3.350 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000457113129 501652760 /nfs/dbraw/zinc/65/27/60/501652760.db2.gz JRLUFFYITGXOHG-KRWDZBQOSA-N 1 1 367.449 3.285 20 30 FGEDMO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccccc1COc1ccccc1 ZINC000459467550 501658746 /nfs/dbraw/zinc/65/87/46/501658746.db2.gz QDSXOIKFQAMXFQ-DYESRHJHSA-N 1 1 363.461 3.164 20 30 FGEDMO N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000459467570 501659019 /nfs/dbraw/zinc/65/90/19/501659019.db2.gz QEYQSEQGMWYJOI-WMLDXEAASA-N 1 1 365.399 3.478 20 30 FGEDMO Cc1nsc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1C#N ZINC000459558339 501676511 /nfs/dbraw/zinc/67/65/11/501676511.db2.gz FZTLSHHZBCROEH-AWEZNQCLSA-N 1 1 369.494 3.309 20 30 FGEDMO Cc1nsc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C#N ZINC000459561850 501676926 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/nfs/dbraw/zinc/90/46/93/501904693.db2.gz UKCUSEIAYYCAMZ-PBHICJAKSA-N 1 1 350.422 3.190 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C[C@H]1C ZINC000460848892 501937237 /nfs/dbraw/zinc/93/72/37/501937237.db2.gz LCGSLSAPLFQQIY-IAGOWNOFSA-N 1 1 366.513 3.392 20 30 FGEDMO CN1CCN(CCC[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000471192435 501951293 /nfs/dbraw/zinc/95/12/93/501951293.db2.gz YXPIDMYFNSCRJE-UHFFFAOYSA-N 1 1 362.521 3.295 20 30 FGEDMO CN1CCN(CCC[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000471192435 501951297 /nfs/dbraw/zinc/95/12/97/501951297.db2.gz YXPIDMYFNSCRJE-UHFFFAOYSA-N 1 1 362.521 3.295 20 30 FGEDMO C=C(C)COCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000474794712 501955254 /nfs/dbraw/zinc/95/52/54/501955254.db2.gz KNXPNZGKYFGHBQ-GOSISDBHSA-N 1 1 359.514 3.453 20 30 FGEDMO C=CCOc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000478367866 501956906 /nfs/dbraw/zinc/95/69/06/501956906.db2.gz GFHOMESCQLEBRF-RTBURBONSA-N 1 1 366.461 3.088 20 30 FGEDMO C[C@H](CCNC(=O)[C@H](C)Oc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000471455310 502033159 /nfs/dbraw/zinc/03/31/59/502033159.db2.gz OBWLSWADBMQCCM-MSOLQXFVSA-N 1 1 365.477 3.352 20 30 FGEDMO Cc1nc(-c2ccccc2)oc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000602764161 506289993 /nfs/dbraw/zinc/28/99/93/506289993.db2.gz STERVRNWXVBHLY-UHFFFAOYSA-N 1 1 359.433 3.239 20 30 FGEDMO C=CCc1ccc(OCC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC000468489806 502078288 /nfs/dbraw/zinc/07/82/88/502078288.db2.gz YUZSIASBQGZHSF-IBGZPJMESA-N 1 1 360.498 3.039 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000464769077 502087249 /nfs/dbraw/zinc/08/72/49/502087249.db2.gz CASXLKVBRUPWGH-PZJWPPBQSA-N 1 1 371.525 3.027 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000475185083 502092968 /nfs/dbraw/zinc/09/29/68/502092968.db2.gz OWOQBHLLSOGWSU-CRAIPNDOSA-N 1 1 357.498 3.076 20 30 FGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000464821025 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20 30 FGEDMO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000461955599 502251484 /nfs/dbraw/zinc/25/14/84/502251484.db2.gz GENFXHJOJCCOEK-FUHWJXTLSA-N 1 1 360.889 3.250 20 30 FGEDMO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000461955599 502251490 /nfs/dbraw/zinc/25/14/90/502251490.db2.gz GENFXHJOJCCOEK-FUHWJXTLSA-N 1 1 360.889 3.250 20 30 FGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000475799070 502294396 /nfs/dbraw/zinc/29/43/96/502294396.db2.gz RJKUXHDIICJDHI-KRWDZBQOSA-N 1 1 369.575 3.280 20 30 FGEDMO CC1(C)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCOC2)O1 ZINC000483192044 502309352 /nfs/dbraw/zinc/30/93/52/502309352.db2.gz FXMPMWMDCVFSCJ-GOSISDBHSA-N 1 1 369.383 3.207 20 30 FGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(CCOC2)O1 ZINC000483192044 502309358 /nfs/dbraw/zinc/30/93/58/502309358.db2.gz FXMPMWMDCVFSCJ-GOSISDBHSA-N 1 1 369.383 3.207 20 30 FGEDMO N#Cc1cc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)ccc1F ZINC000469200447 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371.525 3.490 20 30 FGEDMO CCOc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(F)cc1OC ZINC000529578707 504735106 /nfs/dbraw/zinc/73/51/06/504735106.db2.gz OPINOPDNQXDMBS-INIZCTEOSA-N 1 1 371.412 3.153 20 30 FGEDMO CCOc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(F)cc1OC ZINC000529578707 504735109 /nfs/dbraw/zinc/73/51/09/504735109.db2.gz OPINOPDNQXDMBS-INIZCTEOSA-N 1 1 371.412 3.153 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000532700217 504740030 /nfs/dbraw/zinc/74/00/30/504740030.db2.gz MJHFNVUGERAKJY-MVJTYMMSSA-N 1 1 372.538 3.062 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]3CCOC3)C1)CCC2 ZINC000532747768 504750916 /nfs/dbraw/zinc/75/09/16/504750916.db2.gz DRUNHACDAVNDJZ-HUUCEWRRSA-N 1 1 373.522 3.186 20 30 FGEDMO C=CCOc1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1OC ZINC000521637217 504767530 /nfs/dbraw/zinc/76/75/30/504767530.db2.gz VACJJRHTNDAUEH-YLJYHZDGSA-N 1 1 371.437 3.236 20 30 FGEDMO COc1cc(N2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)ccc1F ZINC000559073754 504775122 /nfs/dbraw/zinc/77/51/22/504775122.db2.gz HSNBUDJCPWPETQ-UHFFFAOYSA-N 1 1 355.413 3.037 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000559188104 504799277 /nfs/dbraw/zinc/79/92/77/504799277.db2.gz UBDRSZAVWOJEJT-SFHVURJKSA-N 1 1 373.859 3.076 20 30 FGEDMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000562386464 504803271 /nfs/dbraw/zinc/80/32/71/504803271.db2.gz NPSNCBQFLORCIV-FQEVSTJZSA-N 1 1 359.433 3.101 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000556155904 504806539 /nfs/dbraw/zinc/80/65/39/504806539.db2.gz BJKIRMDEWCBLQR-LJQANCHMSA-N 1 1 355.482 3.338 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)NCC#Cc1cccc(F)c1)c1ccccc1Cl ZINC000549449710 504825164 /nfs/dbraw/zinc/82/51/64/504825164.db2.gz TWHKIASZSYIPND-IBGZPJMESA-N 1 1 373.859 3.433 20 30 FGEDMO N#Cc1cc(Cl)cc(Br)c1NCCC[NH+]1CCOCC1 ZINC000553237045 504859607 /nfs/dbraw/zinc/85/96/07/504859607.db2.gz LGKIVFHSZRGUQE-UHFFFAOYSA-N 1 1 358.667 3.108 20 30 FGEDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000549613782 504859728 /nfs/dbraw/zinc/85/97/28/504859728.db2.gz XTKYQERGJFEIMG-HNNXBMFYSA-N 1 1 357.483 3.392 20 30 FGEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000549613782 504859733 /nfs/dbraw/zinc/85/97/33/504859733.db2.gz XTKYQERGJFEIMG-HNNXBMFYSA-N 1 1 357.483 3.392 20 30 FGEDMO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000562568918 504861742 /nfs/dbraw/zinc/86/17/42/504861742.db2.gz GDHUTRQLMBVQKP-QGZVFWFLSA-N 1 1 373.526 3.089 20 30 FGEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000556435417 504872986 /nfs/dbraw/zinc/87/29/86/504872986.db2.gz CVQCERFXENXORZ-FRQCXROJSA-N 1 1 364.497 3.003 20 30 FGEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000556435421 504873960 /nfs/dbraw/zinc/87/39/60/504873960.db2.gz CVQCERFXENXORZ-TXPKVOOTSA-N 1 1 364.497 3.003 20 30 FGEDMO CC(C)[N@H+]1CCC[C@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000553338787 504888072 /nfs/dbraw/zinc/88/80/72/504888072.db2.gz NBPQWXIRPNHYFB-GFCCVEGCSA-N 1 1 362.399 3.478 20 30 FGEDMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)sc2C1 ZINC000562701350 504913952 /nfs/dbraw/zinc/91/39/52/504913952.db2.gz ZTXWLUUSYIWPOS-LSDHHAIUSA-N 1 1 352.463 3.135 20 30 FGEDMO CC[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)sc2C1 ZINC000562701350 504913954 /nfs/dbraw/zinc/91/39/54/504913954.db2.gz ZTXWLUUSYIWPOS-LSDHHAIUSA-N 1 1 352.463 3.135 20 30 FGEDMO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000562799066 504949907 /nfs/dbraw/zinc/94/99/07/504949907.db2.gz KNCZBNWRJARRRB-GOSISDBHSA-N 1 1 350.470 3.072 20 30 FGEDMO Cc1cnc([C@@H]([NH2+][C@H]2CCN(c3sccc3C#N)C2=O)C2CC2)s1 ZINC000563223799 505081366 /nfs/dbraw/zinc/08/13/66/505081366.db2.gz JLXPRXDQFHHXCZ-KBPBESRZSA-N 1 1 358.492 3.231 20 30 FGEDMO Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)CC2 ZINC000563243131 505086671 /nfs/dbraw/zinc/08/66/71/505086671.db2.gz BIIWDFRUDGKECK-ABAIWWIYSA-N 1 1 363.248 3.442 20 30 FGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(-c2ccc(C#N)cc2)n1 ZINC000566173610 505104497 /nfs/dbraw/zinc/10/44/97/505104497.db2.gz OMBGSPRKSHXOJX-UYAOXDASSA-N 1 1 350.466 3.350 20 30 FGEDMO C=CCC[C@H](NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC)c1ccccc1 ZINC000554233895 505122182 /nfs/dbraw/zinc/12/21/82/505122182.db2.gz UZAGJNZJYRHTEA-PMACEKPBSA-N 1 1 371.525 3.191 20 30 FGEDMO COc1cccc([C@H]([NH2+]CCn2cnc(C#N)n2)c2ccccc2Cl)c1 ZINC000560585420 505134900 /nfs/dbraw/zinc/13/49/00/505134900.db2.gz SMODJBWEHJRZFP-IBGZPJMESA-N 1 1 367.840 3.191 20 30 FGEDMO C[N@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC12CCCCC2 ZINC000566424500 505172102 /nfs/dbraw/zinc/17/21/02/505172102.db2.gz XLGCEAKEAKIBPH-UHFFFAOYSA-N 1 1 360.889 3.100 20 30 FGEDMO N#Cc1cccc(CCNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000557702863 505207695 /nfs/dbraw/zinc/20/76/95/505207695.db2.gz QGNPQIKMWDGEOK-NRFANRHFSA-N 1 1 362.477 3.065 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cccc2nsnc21 ZINC000557820646 505238681 /nfs/dbraw/zinc/23/86/81/505238681.db2.gz CDZVEBRAABRQMT-UHFFFAOYSA-N 1 1 352.463 3.361 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc2nsnc21 ZINC000557820646 505238685 /nfs/dbraw/zinc/23/86/85/505238685.db2.gz CDZVEBRAABRQMT-UHFFFAOYSA-N 1 1 352.463 3.361 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](Cc2ccc(OC)cc2OC)CC2CCC2)C1=O ZINC000554839738 505276960 /nfs/dbraw/zinc/27/69/60/505276960.db2.gz LYDNVGPZAHVCNE-LJQANCHMSA-N 1 1 358.482 3.093 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566844811 505289679 /nfs/dbraw/zinc/28/96/79/505289679.db2.gz IZHZDSBMPNZVPO-INIZCTEOSA-N 1 1 364.449 3.305 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566844811 505289684 /nfs/dbraw/zinc/28/96/84/505289684.db2.gz IZHZDSBMPNZVPO-INIZCTEOSA-N 1 1 364.449 3.305 20 30 FGEDMO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000566891935 505302603 /nfs/dbraw/zinc/30/26/03/505302603.db2.gz LLAZCTVGCDXCAZ-CQSZACIVSA-N 1 1 358.392 3.438 20 30 FGEDMO N#Cc1ccc(CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C2CC2)cc1 ZINC000564032517 505306545 /nfs/dbraw/zinc/30/65/45/505306545.db2.gz GAFPIKHFIDXDDS-FQEVSTJZSA-N 1 1 352.482 3.249 20 30 FGEDMO C=CCCC1(c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)cc3)no2)CC1 ZINC000558298873 505356182 /nfs/dbraw/zinc/35/61/82/505356182.db2.gz VRYFGNCWALMLDG-UHFFFAOYSA-N 1 1 366.465 3.122 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000564403883 505409967 /nfs/dbraw/zinc/40/99/67/505409967.db2.gz TXUVRNVISNWYLZ-NRSPTQNISA-N 1 1 357.494 3.188 20 30 FGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000552178988 505421941 /nfs/dbraw/zinc/42/19/41/505421941.db2.gz UHJVDSAZAXPPRX-DBVUQKKJSA-N 1 1 355.482 3.069 20 30 FGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000558788588 505492562 /nfs/dbraw/zinc/49/25/62/505492562.db2.gz VRGQDMUTWOPYJZ-FDFHNCONSA-N 1 1 353.510 3.293 20 30 FGEDMO Cn1cc(C[N@H+]2CCOC[C@H]2CC2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000555761854 505509501 /nfs/dbraw/zinc/50/95/01/505509501.db2.gz NUZYMOSROUPCFA-HXUWFJFHSA-N 1 1 350.466 3.350 20 30 FGEDMO CC(C)(C)OC(=O)CC[N@@H+](CCOc1ccc(C#N)cc1)C1CCOCC1 ZINC000564916843 505556972 /nfs/dbraw/zinc/55/69/72/505556972.db2.gz IHVMYWWCWYPDCO-UHFFFAOYSA-N 1 1 374.481 3.150 20 30 FGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1C#N ZINC000599271497 506391973 /nfs/dbraw/zinc/39/19/73/506391973.db2.gz LNXHJTZTDMMOMX-NRFANRHFSA-N 1 1 363.461 3.328 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593118357 506404472 /nfs/dbraw/zinc/40/44/72/506404472.db2.gz VHSCWKOBJIQAAD-GOSISDBHSA-N 1 1 363.408 3.063 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593118357 506404480 /nfs/dbraw/zinc/40/44/80/506404480.db2.gz VHSCWKOBJIQAAD-GOSISDBHSA-N 1 1 363.408 3.063 20 30 FGEDMO N#CC1(C[C@H](O)C[N@@H+]2CCc3c(Cl)cc(Cl)cc3C2)CCOCC1 ZINC000599319574 506411138 /nfs/dbraw/zinc/41/11/38/506411138.db2.gz MZIZUEQAAXNHMJ-HNNXBMFYSA-N 1 1 369.292 3.423 20 30 FGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)C[C@@H](O)COc2ccccc2C#N)cc1 ZINC000599338849 506419193 /nfs/dbraw/zinc/41/91/93/506419193.db2.gz HQLFHAFLXWIILZ-FXAWDEMLSA-N 1 1 368.477 3.117 20 30 FGEDMO COc1ccc(C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C(C)(C)C)cc1 ZINC000599421014 506447822 /nfs/dbraw/zinc/44/78/22/506447822.db2.gz KGMRSHXRWHXYBT-GOSISDBHSA-N 1 1 360.498 3.367 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)CCOCC1 ZINC000599452489 506463391 /nfs/dbraw/zinc/46/33/91/506463391.db2.gz QPOADRBXAKYXJX-IBGZPJMESA-N 1 1 366.461 3.376 20 30 FGEDMO C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@H](Cc2ccccc2)C1 ZINC000593216499 506472066 /nfs/dbraw/zinc/47/20/66/506472066.db2.gz VJLRVESUHNXEKF-GOSISDBHSA-N 1 1 352.413 3.088 20 30 FGEDMO C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@H](Cc2ccccc2)C1 ZINC000593216499 506472073 /nfs/dbraw/zinc/47/20/73/506472073.db2.gz VJLRVESUHNXEKF-GOSISDBHSA-N 1 1 352.413 3.088 20 30 FGEDMO CCN(C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)[C@@H]1CC[N@@H+](C)C1 ZINC000596684593 506535375 /nfs/dbraw/zinc/53/53/75/506535375.db2.gz VRGXLKSRRUPDKU-QGZVFWFLSA-N 1 1 365.437 3.303 20 30 FGEDMO N#Cc1ccc(C2([NH2+]Cc3nc4ccccc4c(=O)[nH]3)CCOCC2)cc1 ZINC000599634085 506542447 /nfs/dbraw/zinc/54/24/47/506542447.db2.gz OGDFYJFUBBNJFG-UHFFFAOYSA-N 1 1 360.417 3.003 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000583021278 506545611 /nfs/dbraw/zinc/54/56/11/506545611.db2.gz OHVLBZNZGAYZRU-UIBIWLFHSA-N 1 1 363.527 3.021 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3c(O)cccc3C1)CCC2 ZINC000599649265 506551922 /nfs/dbraw/zinc/55/19/22/506551922.db2.gz ZGEHLLUXAKPQDM-UHFFFAOYSA-N 1 1 367.474 3.201 20 30 FGEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3cc(C#N)nc4ccccc43)c2)CCO1 ZINC000589566521 506588511 /nfs/dbraw/zinc/58/85/11/506588511.db2.gz VDCFPTDPVKKOPB-KRWDZBQOSA-N 1 1 372.472 3.361 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3cc(C#N)nc4ccccc43)c2)CCO1 ZINC000589566521 506588514 /nfs/dbraw/zinc/58/85/14/506588514.db2.gz VDCFPTDPVKKOPB-KRWDZBQOSA-N 1 1 372.472 3.361 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593390560 506594356 /nfs/dbraw/zinc/59/43/56/506594356.db2.gz LKFROLRXRHHEEP-HRAATJIYSA-N 1 1 360.461 3.104 20 30 FGEDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCC#N ZINC000599751045 506616631 /nfs/dbraw/zinc/61/66/31/506616631.db2.gz RETZGEQVAYYYTL-GMAHTHKFSA-N 1 1 361.489 3.496 20 30 FGEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000612561928 506626848 /nfs/dbraw/zinc/62/68/48/506626848.db2.gz NFCLPUHMMPWBQG-HUUCEWRRSA-N 1 1 365.437 3.302 20 30 FGEDMO C[C@@H](CC#N)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000596851763 506637403 /nfs/dbraw/zinc/63/74/03/506637403.db2.gz ANMYJNGFMYRANZ-ZDUSSCGKSA-N 1 1 353.388 3.336 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000589741153 506641144 /nfs/dbraw/zinc/64/11/44/506641144.db2.gz UUFRXBNVWCKYCJ-IBGZPJMESA-N 1 1 361.486 3.120 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000589740937 506641215 /nfs/dbraw/zinc/64/12/15/506641215.db2.gz LNEAGJLNJFDMPZ-FQEVSTJZSA-N 1 1 374.529 3.035 20 30 FGEDMO CN(C(=O)NCC1(C#N)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000596861053 506642406 /nfs/dbraw/zinc/64/24/06/506642406.db2.gz CHNRSPTWTHUIKA-LJQANCHMSA-N 1 1 354.498 3.376 20 30 FGEDMO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000603878290 506644943 /nfs/dbraw/zinc/64/49/43/506644943.db2.gz MUJFWKZNTBZLCX-ICSRJNTNSA-N 1 1 368.525 3.250 20 30 FGEDMO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583226599 506660602 /nfs/dbraw/zinc/66/06/02/506660602.db2.gz KNLYKTILUKOHPW-AWEZNQCLSA-N 1 1 373.403 3.312 20 30 FGEDMO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583226599 506660607 /nfs/dbraw/zinc/66/06/07/506660607.db2.gz KNLYKTILUKOHPW-AWEZNQCLSA-N 1 1 373.403 3.312 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000596895410 506661743 /nfs/dbraw/zinc/66/17/43/506661743.db2.gz MQCXPSYERQGOEE-CJNGLKHVSA-N 1 1 355.388 3.402 20 30 FGEDMO C[C@H]([NH2+]C(C)(C)CNC[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258163 506681507 /nfs/dbraw/zinc/68/15/07/506681507.db2.gz KQQLWPQGWVHKQA-PXNSSMCTSA-N 1 1 367.493 3.017 20 30 FGEDMO CC[N@@H+](CCCNS(=O)(=O)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000593627321 506707829 /nfs/dbraw/zinc/70/78/29/506707829.db2.gz PUMHVZNWEANBEV-UHFFFAOYSA-N 1 1 363.527 3.022 20 30 FGEDMO COCc1csc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000596982860 506712492 /nfs/dbraw/zinc/71/24/92/506712492.db2.gz LTNYOEXVFBQFSV-UHFFFAOYSA-N 1 1 355.507 3.474 20 30 FGEDMO COCc1csc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000596982860 506712498 /nfs/dbraw/zinc/71/24/98/506712498.db2.gz LTNYOEXVFBQFSV-UHFFFAOYSA-N 1 1 355.507 3.474 20 30 FGEDMO COCc1csc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000596982860 506712504 /nfs/dbraw/zinc/71/25/04/506712504.db2.gz LTNYOEXVFBQFSV-UHFFFAOYSA-N 1 1 355.507 3.474 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(O)c3Cl)C2=O)cc1 ZINC000590186727 506760598 /nfs/dbraw/zinc/76/05/98/506760598.db2.gz SRWIVHYJELNOHK-MRXNPFEDSA-N 1 1 355.825 3.202 20 30 FGEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CC1(C#N)CC1 ZINC000590309147 506789199 /nfs/dbraw/zinc/78/91/99/506789199.db2.gz ZOKQZHNHUGHWTM-SFHVURJKSA-N 1 1 363.465 3.271 20 30 FGEDMO Cc1cc(NC(=O)CC2(C#N)CC2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000590309667 506791238 /nfs/dbraw/zinc/79/12/38/506791238.db2.gz ZODDRPBERNQIGK-GOSISDBHSA-N 1 1 363.465 3.271 20 30 FGEDMO N#CC[C@@]1(O)CC[N@H+](Cc2ccccc2OCc2ccc(F)cc2F)C1 ZINC000597157835 506805333 /nfs/dbraw/zinc/80/53/33/506805333.db2.gz RYCANZBBRSYPEZ-HXUWFJFHSA-N 1 1 358.388 3.394 20 30 FGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccccc2OCc2ccc(F)cc2F)C1 ZINC000597157835 506805338 /nfs/dbraw/zinc/80/53/38/506805338.db2.gz RYCANZBBRSYPEZ-HXUWFJFHSA-N 1 1 358.388 3.394 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000609204485 506813183 /nfs/dbraw/zinc/81/31/83/506813183.db2.gz RBOMBRXSPPTKOT-QUCCMNQESA-N 1 1 354.425 3.121 20 30 FGEDMO Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000583527532 506827882 /nfs/dbraw/zinc/82/78/82/506827882.db2.gz IBZRPQWOFOLVLE-UHFFFAOYSA-N 1 1 372.476 3.066 20 30 FGEDMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)sc2C1 ZINC000593940771 506838392 /nfs/dbraw/zinc/83/83/92/506838392.db2.gz BIYRXWVRKNVECN-ZDUSSCGKSA-N 1 1 354.479 3.210 20 30 FGEDMO CC[N@H+]1CCc2nc(NC(=O)[C@@H](C)Cc3ccc(C#N)cc3)sc2C1 ZINC000593940771 506838394 /nfs/dbraw/zinc/83/83/94/506838394.db2.gz BIYRXWVRKNVECN-ZDUSSCGKSA-N 1 1 354.479 3.210 20 30 FGEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)C2)C1 ZINC000590506172 506842580 /nfs/dbraw/zinc/84/25/80/506842580.db2.gz MQZASUSZTDMMCN-QGZVFWFLSA-N 1 1 352.265 3.423 20 30 FGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(Cl)cc(I)c1 ZINC000583559012 506848406 /nfs/dbraw/zinc/84/84/06/506848406.db2.gz KYTMCOGJHGKROL-JTQLQIEISA-N 1 1 373.625 3.478 20 30 FGEDMO C=CCN(CC=C)C(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000583557594 506847219 /nfs/dbraw/zinc/84/72/19/506847219.db2.gz QWIRRDKXBKRPEU-SFHVURJKSA-N 1 1 361.555 3.011 20 30 FGEDMO N#Cc1ccc2ncc(CN3CC[NH+](Cc4cc5ccccc5[nH]4)CC3)n2c1 ZINC000600209616 506847412 /nfs/dbraw/zinc/84/74/12/506847412.db2.gz WPVSOJWJRVGARR-UHFFFAOYSA-N 1 1 370.460 3.005 20 30 FGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)s1 ZINC000609316972 506849331 /nfs/dbraw/zinc/84/93/31/506849331.db2.gz GUSNRSPRMNNJSI-WMLDXEAASA-N 1 1 359.495 3.259 20 30 FGEDMO C[C@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000593960003 506851173 /nfs/dbraw/zinc/85/11/73/506851173.db2.gz ISYYAXMSAYTAIC-ZWKOTPCHSA-N 1 1 361.489 3.300 20 30 FGEDMO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000600212949 506851389 /nfs/dbraw/zinc/85/13/89/506851389.db2.gz LWQYZNDYQCNZKJ-MRXNPFEDSA-N 1 1 364.445 3.251 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000593960190 506851524 /nfs/dbraw/zinc/85/15/24/506851524.db2.gz OKTDLKQHPDTCIZ-CVEARBPZSA-N 1 1 367.518 3.361 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000593960190 506851529 /nfs/dbraw/zinc/85/15/29/506851529.db2.gz OKTDLKQHPDTCIZ-CVEARBPZSA-N 1 1 367.518 3.361 20 30 FGEDMO COc1cccc(C[N@H+](CC(=O)NCc2cccc(C#N)c2)CC(C)C)c1 ZINC000604494645 506851643 /nfs/dbraw/zinc/85/16/43/506851643.db2.gz QDVOOFVMOCDNPZ-UHFFFAOYSA-N 1 1 365.477 3.341 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000609338452 506858675 /nfs/dbraw/zinc/85/86/75/506858675.db2.gz IIDLSVNMZQQSKE-ROUUACIJSA-N 1 1 354.425 3.121 20 30 FGEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000590606962 506878009 /nfs/dbraw/zinc/87/80/09/506878009.db2.gz PTAYPSARJXDRAL-KRWDZBQOSA-N 1 1 366.469 3.134 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594013117 506883248 /nfs/dbraw/zinc/88/32/48/506883248.db2.gz RJDBMNIHQQEKGU-PGRDOPGGSA-N 1 1 361.489 3.375 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1CO ZINC000594017412 506884358 /nfs/dbraw/zinc/88/43/58/506884358.db2.gz ZBKSWGGHKGNRMM-CVEARBPZSA-N 1 1 361.511 3.256 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1CO ZINC000594017412 506884365 /nfs/dbraw/zinc/88/43/65/506884365.db2.gz ZBKSWGGHKGNRMM-CVEARBPZSA-N 1 1 361.511 3.256 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026194 506892087 /nfs/dbraw/zinc/89/20/87/506892087.db2.gz FMSIJUSQDWEPKL-XLIONFOSSA-N 1 1 355.482 3.355 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026194 506892090 /nfs/dbraw/zinc/89/20/90/506892090.db2.gz FMSIJUSQDWEPKL-XLIONFOSSA-N 1 1 355.482 3.355 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026286 506892306 /nfs/dbraw/zinc/89/23/06/506892306.db2.gz ICGKLBWHPZIUEO-XBPCWFMRSA-N 1 1 361.530 3.339 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CCO)CC(C)(C)C)c1C#N ZINC000609483469 506894517 /nfs/dbraw/zinc/89/45/17/506894517.db2.gz IUMQSBHSYFCDSG-UHFFFAOYSA-N 1 1 374.529 3.371 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc4cc(Cl)cnc4o3)C2)nc1 ZINC000590654383 506897654 /nfs/dbraw/zinc/89/76/54/506897654.db2.gz CKLMZCJAGKMVHY-HNNXBMFYSA-N 1 1 354.797 3.401 20 30 FGEDMO C[N@H+](CCOc1ccccc1C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000609493521 506899416 /nfs/dbraw/zinc/89/94/16/506899416.db2.gz BUCBOJRQNMPBRG-SFHVURJKSA-N 1 1 369.852 3.328 20 30 FGEDMO C[N@@H+](CCOc1ccccc1C#N)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000609493521 506899422 /nfs/dbraw/zinc/89/94/22/506899422.db2.gz BUCBOJRQNMPBRG-SFHVURJKSA-N 1 1 369.852 3.328 20 30 FGEDMO C[C@H](CC#N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000597390358 506925853 /nfs/dbraw/zinc/92/58/53/506925853.db2.gz OQDQWPUGBLECHX-CYBMUJFWSA-N 1 1 364.287 3.079 20 30 FGEDMO N#C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1Cl ZINC000609595880 506938214 /nfs/dbraw/zinc/93/82/14/506938214.db2.gz LMOYFLZWDHWMOU-APWZRJJASA-N 1 1 368.868 3.328 20 30 FGEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000590780218 506950004 /nfs/dbraw/zinc/95/00/04/506950004.db2.gz KJHUFQPUSUUWEN-UHFFFAOYSA-N 1 1 364.497 3.313 20 30 FGEDMO N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)c2)cc1 ZINC000609660706 506964944 /nfs/dbraw/zinc/96/49/44/506964944.db2.gz MMCVPTNHWISFMY-IBGZPJMESA-N 1 1 361.445 3.104 20 30 FGEDMO C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000609659013 506965277 /nfs/dbraw/zinc/96/52/77/506965277.db2.gz OMBAXQRGNPBTLS-SFHVURJKSA-N 1 1 362.477 3.181 20 30 FGEDMO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000590801809 506965378 /nfs/dbraw/zinc/96/53/78/506965378.db2.gz RXMILHQRNFIFSB-IHPCNDPISA-N 1 1 354.498 3.280 20 30 FGEDMO CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1C#N ZINC000590845961 506996640 /nfs/dbraw/zinc/99/66/40/506996640.db2.gz DPPBSLAXNLJLKW-QGZVFWFLSA-N 1 1 356.470 3.341 20 30 FGEDMO Cc1ccccc1C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000613268349 507001295 /nfs/dbraw/zinc/00/12/95/507001295.db2.gz STLMJDCZGBZRAW-UHFFFAOYSA-N 1 1 350.422 3.487 20 30 FGEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594214186 507014283 /nfs/dbraw/zinc/01/42/83/507014283.db2.gz DWEWWKSUPCKEBZ-OAHLLOKOSA-N 1 1 351.454 3.078 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594230352 507025761 /nfs/dbraw/zinc/02/57/61/507025761.db2.gz HVQKJFBXXKOBHS-JTSKRJEESA-N 1 1 374.488 3.494 20 30 FGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000594232862 507029107 /nfs/dbraw/zinc/02/91/07/507029107.db2.gz XMSSVAXGWIVHOP-GOSISDBHSA-N 1 1 354.498 3.215 20 30 FGEDMO CCc1ccc([C@H]2CN(C(=O)c3cc(F)c(C#N)c(F)c3)CC[NH2+]2)cc1 ZINC000597622817 507034506 /nfs/dbraw/zinc/03/45/06/507034506.db2.gz NICKHCVZNPYWGE-LJQANCHMSA-N 1 1 355.388 3.186 20 30 FGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC1(C#N)CCOCC1 ZINC000597626116 507036800 /nfs/dbraw/zinc/03/68/00/507036800.db2.gz NMWMTVZYUPCTIF-LJQANCHMSA-N 1 1 369.509 3.114 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594283783 507061154 /nfs/dbraw/zinc/06/11/54/507061154.db2.gz SYVFBXNCVAYKHI-RBUKOAKNSA-N 1 1 372.469 3.309 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594283781 507061225 /nfs/dbraw/zinc/06/12/25/507061225.db2.gz SYVFBXNCVAYKHI-MOPGFXCFSA-N 1 1 372.469 3.309 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)N3CCc4cc(C#N)ccc43)CC2)cs1 ZINC000597776832 507096694 /nfs/dbraw/zinc/09/66/94/507096694.db2.gz OEWSSWPEDQTIFK-UHFFFAOYSA-N 1 1 366.490 3.125 20 30 FGEDMO C=CCn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000584021972 507106464 /nfs/dbraw/zinc/10/64/64/507106464.db2.gz RNJRSDRTQCFZBC-SJLPKXTDSA-N 1 1 369.513 3.306 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000610134165 507112027 /nfs/dbraw/zinc/11/20/27/507112027.db2.gz RQXVYLXIEZUZLT-RBUKOAKNSA-N 1 1 357.498 3.090 20 30 FGEDMO COc1cccc([C@H]2[C@@H](Nc3ncc(C#N)cc3F)CC[N@H+]2C2CC2)c1 ZINC000591153841 507134809 /nfs/dbraw/zinc/13/48/09/507134809.db2.gz PVRQUYDAKGAEEF-OALUTQOASA-N 1 1 352.413 3.491 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000597858587 507136775 /nfs/dbraw/zinc/13/67/75/507136775.db2.gz NSEKKWMEKOYWDI-KRWDZBQOSA-N 1 1 367.449 3.333 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2cccc(C#N)c2)[C@H](C)C1 ZINC000610351823 507207081 /nfs/dbraw/zinc/20/70/81/507207081.db2.gz ZMEAKVKQXMYDSQ-HLIPFELVSA-N 1 1 372.513 3.055 20 30 FGEDMO N#Cc1ccc(CSCC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000598221862 507324885 /nfs/dbraw/zinc/32/48/85/507324885.db2.gz XSEXJNLGNZLYAW-GOSISDBHSA-N 1 1 357.523 3.315 20 30 FGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000601299866 507328268 /nfs/dbraw/zinc/32/82/68/507328268.db2.gz UWDNGIFNOUPVQN-GOSISDBHSA-N 1 1 351.454 3.128 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000610738803 507371104 /nfs/dbraw/zinc/37/11/04/507371104.db2.gz FEHHVROQUJUELP-MRXNPFEDSA-N 1 1 361.445 3.407 20 30 FGEDMO C[C@H](C#N)CN(C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1CC1 ZINC000611086889 507508807 /nfs/dbraw/zinc/50/88/07/507508807.db2.gz KZLFHAQFLDPWPR-BRWVUGGUSA-N 1 1 355.482 3.060 20 30 FGEDMO Cc1cc(C)c(C[N@@H+]2CC[C@](O)(CC#N)C2)c(OCc2ccccc2)n1 ZINC000592152813 507509858 /nfs/dbraw/zinc/50/98/58/507509858.db2.gz DYKUFBGMGKRNBJ-OAQYLSRUSA-N 1 1 351.450 3.128 20 30 FGEDMO Cc1cc(C)c(C[N@H+]2CC[C@](O)(CC#N)C2)c(OCc2ccccc2)n1 ZINC000592152813 507509868 /nfs/dbraw/zinc/50/98/68/507509868.db2.gz DYKUFBGMGKRNBJ-OAQYLSRUSA-N 1 1 351.450 3.128 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000598597331 507513058 /nfs/dbraw/zinc/51/30/58/507513058.db2.gz ZNJWVHWGTTUDON-RDJZCZTQSA-N 1 1 372.444 3.356 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000598601440 507514735 /nfs/dbraw/zinc/51/47/35/507514735.db2.gz DMUHKPDTOBESHL-JKSUJKDBSA-N 1 1 356.388 3.379 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000598601440 507514737 /nfs/dbraw/zinc/51/47/37/507514737.db2.gz DMUHKPDTOBESHL-JKSUJKDBSA-N 1 1 356.388 3.379 20 30 FGEDMO C=CCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000611112899 507520459 /nfs/dbraw/zinc/52/04/59/507520459.db2.gz YEPCVBCOMJXMRQ-IBGZPJMESA-N 1 1 356.422 3.195 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1C ZINC000592181913 507526442 /nfs/dbraw/zinc/52/64/42/507526442.db2.gz JGNWCKCCBVKRCU-GOSISDBHSA-N 1 1 369.509 3.441 20 30 FGEDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000611153145 507535755 /nfs/dbraw/zinc/53/57/55/507535755.db2.gz MDOTVNRLVDOJEI-LJQANCHMSA-N 1 1 350.462 3.286 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595533505 507546438 /nfs/dbraw/zinc/54/64/38/507546438.db2.gz AMBGSTLGSRQGOK-YZGWKJHDSA-N 1 1 354.498 3.232 20 30 FGEDMO COCC1([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000611178446 507548590 /nfs/dbraw/zinc/54/85/90/507548590.db2.gz BBCCYQQBCYEUJE-UHFFFAOYSA-N 1 1 366.465 3.015 20 30 FGEDMO COCC1([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000611178446 507548593 /nfs/dbraw/zinc/54/85/93/507548593.db2.gz BBCCYQQBCYEUJE-UHFFFAOYSA-N 1 1 366.465 3.015 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000595580033 507572036 /nfs/dbraw/zinc/57/20/36/507572036.db2.gz XMUJCQWBXPWACU-WBAXXEDZSA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000595580033 507572041 /nfs/dbraw/zinc/57/20/41/507572041.db2.gz XMUJCQWBXPWACU-WBAXXEDZSA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000595580028 507572365 /nfs/dbraw/zinc/57/23/65/507572365.db2.gz XMUJCQWBXPWACU-JCGIZDLHSA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000595580028 507572375 /nfs/dbraw/zinc/57/23/75/507572375.db2.gz XMUJCQWBXPWACU-JCGIZDLHSA-N 1 1 360.889 3.420 20 30 FGEDMO COc1ccc(C)cc1C[NH+]1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000611235312 507573656 /nfs/dbraw/zinc/57/36/56/507573656.db2.gz NFWLOXFGIKWBFN-UHFFFAOYSA-N 1 1 365.477 3.202 20 30 FGEDMO C[N@H+](CC(=O)N1CCCC1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000611253303 507582649 /nfs/dbraw/zinc/58/26/49/507582649.db2.gz ZXTLNDBMKNODHO-UHFFFAOYSA-N 1 1 363.461 3.191 20 30 FGEDMO C[N@@H+](CC(=O)N1CCCC1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000611253303 507582656 /nfs/dbraw/zinc/58/26/56/507582656.db2.gz ZXTLNDBMKNODHO-UHFFFAOYSA-N 1 1 363.461 3.191 20 30 FGEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000602088806 507586694 /nfs/dbraw/zinc/58/66/94/507586694.db2.gz PYWKVOBQHRVQED-AWEZNQCLSA-N 1 1 361.243 3.150 20 30 FGEDMO C=CCN(C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000607029947 507588841 /nfs/dbraw/zinc/58/88/41/507588841.db2.gz AGLHXVOUSUEWMO-OAQYLSRUSA-N 1 1 350.462 3.497 20 30 FGEDMO C=CCN(C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000607029947 507588848 /nfs/dbraw/zinc/58/88/48/507588848.db2.gz AGLHXVOUSUEWMO-OAQYLSRUSA-N 1 1 350.462 3.497 20 30 FGEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000602099670 507590812 /nfs/dbraw/zinc/59/08/12/507590812.db2.gz ZBBFUBKDWPTWOH-AWEZNQCLSA-N 1 1 350.344 3.406 20 30 FGEDMO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614641 507591255 /nfs/dbraw/zinc/59/12/55/507591255.db2.gz LWHBFMWDMCVVPT-ZIAGYGMSSA-N 1 1 351.853 3.452 20 30 FGEDMO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614641 507591261 /nfs/dbraw/zinc/59/12/61/507591261.db2.gz LWHBFMWDMCVVPT-ZIAGYGMSSA-N 1 1 351.853 3.452 20 30 FGEDMO N#CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000595615680 507593505 /nfs/dbraw/zinc/59/35/05/507593505.db2.gz RNENALSEOYCOLQ-CJNGLKHVSA-N 1 1 367.371 3.316 20 30 FGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000595615680 507593511 /nfs/dbraw/zinc/59/35/11/507593511.db2.gz RNENALSEOYCOLQ-CJNGLKHVSA-N 1 1 367.371 3.316 20 30 FGEDMO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000595623304 507598617 /nfs/dbraw/zinc/59/86/17/507598617.db2.gz MEWFXQWEZYYQNT-CZUORRHYSA-N 1 1 362.271 3.180 20 30 FGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000595623304 507598625 /nfs/dbraw/zinc/59/86/25/507598625.db2.gz MEWFXQWEZYYQNT-CZUORRHYSA-N 1 1 362.271 3.180 20 30 FGEDMO CC(C)c1[nH+]ccn1CC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000602150864 507607367 /nfs/dbraw/zinc/60/73/67/507607367.db2.gz AASWMNCEHLTBHJ-UHFFFAOYSA-N 1 1 370.428 3.087 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000611302579 507613129 /nfs/dbraw/zinc/61/31/29/507613129.db2.gz JXOAKKNREKVSNL-MRXNPFEDSA-N 1 1 364.287 3.348 20 30 FGEDMO N#Cc1c(NC(=O)C[N@@H+]2CC[C@]3(C2)CCCOC3)sc2c1CCCCC2 ZINC000585756239 507617677 /nfs/dbraw/zinc/61/76/77/507617677.db2.gz OGPHKKDPBHOQCG-FQEVSTJZSA-N 1 1 373.522 3.330 20 30 FGEDMO N#Cc1c(NC(=O)C[N@H+]2CC[C@]3(C2)CCCOC3)sc2c1CCCCC2 ZINC000585756239 507617686 /nfs/dbraw/zinc/61/76/86/507617686.db2.gz OGPHKKDPBHOQCG-FQEVSTJZSA-N 1 1 373.522 3.330 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611350354 507636303 /nfs/dbraw/zinc/63/63/03/507636303.db2.gz JNQJKXDDULDHGZ-HSALFYBXSA-N 1 1 369.509 3.460 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000611394620 507660622 /nfs/dbraw/zinc/66/06/22/507660622.db2.gz TUDZIGMPQFREKE-FKBYEOEOSA-N 1 1 353.510 3.293 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000611394620 507660628 /nfs/dbraw/zinc/66/06/28/507660628.db2.gz TUDZIGMPQFREKE-FKBYEOEOSA-N 1 1 353.510 3.293 20 30 FGEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1F ZINC000595748478 507663281 /nfs/dbraw/zinc/66/32/81/507663281.db2.gz UYDVFAVGPYXINE-YLJYHZDGSA-N 1 1 370.424 3.283 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595749926 507664891 /nfs/dbraw/zinc/66/48/91/507664891.db2.gz IMDZBDNRNHQLDD-GCJKJVERSA-N 1 1 369.509 3.176 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1=CCCOC1 ZINC000595754598 507667807 /nfs/dbraw/zinc/66/78/07/507667807.db2.gz YRROHAZGVBNDJG-UHFFFAOYSA-N 1 1 373.522 3.496 20 30 FGEDMO COc1cccc([C@]2(C)CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)c1 ZINC000595770495 507677927 /nfs/dbraw/zinc/67/79/27/507677927.db2.gz WJPMULRECGUMJA-HBGVWJBISA-N 1 1 357.498 3.102 20 30 FGEDMO COc1cccc([C@]2(C)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)c1 ZINC000595770495 507677933 /nfs/dbraw/zinc/67/79/33/507677933.db2.gz WJPMULRECGUMJA-HBGVWJBISA-N 1 1 357.498 3.102 20 30 FGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000592523570 507693103 /nfs/dbraw/zinc/69/31/03/507693103.db2.gz OQBVESCGKOPELK-HXUWFJFHSA-N 1 1 369.852 3.443 20 30 FGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1C#N ZINC000595810771 507697123 /nfs/dbraw/zinc/69/71/23/507697123.db2.gz NXLRFPIHQDQQMA-RTBURBONSA-N 1 1 362.477 3.305 20 30 FGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1C#N ZINC000595810771 507697129 /nfs/dbraw/zinc/69/71/29/507697129.db2.gz NXLRFPIHQDQQMA-RTBURBONSA-N 1 1 362.477 3.305 20 30 FGEDMO N#Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000587528677 507711598 /nfs/dbraw/zinc/71/15/98/507711598.db2.gz CLYZBHLPLWLFSB-INIZCTEOSA-N 1 1 365.437 3.373 20 30 FGEDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(C#N)n3)C2)cc1 ZINC000602454514 507716852 /nfs/dbraw/zinc/71/68/52/507716852.db2.gz OKJUOFSMECKHQS-QGZVFWFLSA-N 1 1 363.465 3.295 20 30 FGEDMO N#Cc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(C(F)(F)F)c1 ZINC000595894624 507731476 /nfs/dbraw/zinc/73/14/76/507731476.db2.gz XRWZIPCNKPBKKC-ZWKOTPCHSA-N 1 1 367.415 3.295 20 30 FGEDMO N#Cc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(C(F)(F)F)c1 ZINC000595894620 507731491 /nfs/dbraw/zinc/73/14/91/507731491.db2.gz XRWZIPCNKPBKKC-MSOLQXFVSA-N 1 1 367.415 3.295 20 30 FGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC3CC2(C)C3)c1C#N ZINC000595915727 507742293 /nfs/dbraw/zinc/74/22/93/507742293.db2.gz MMXMXEBLXVWSBW-UHFFFAOYSA-N 1 1 362.477 3.448 20 30 FGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC3CC2(C)C3)c1C#N ZINC000595915727 507742296 /nfs/dbraw/zinc/74/22/96/507742296.db2.gz MMXMXEBLXVWSBW-UHFFFAOYSA-N 1 1 362.477 3.448 20 30 FGEDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000588070146 507751868 /nfs/dbraw/zinc/75/18/68/507751868.db2.gz CUHIRYXSADKDJC-JSGCOSHPSA-N 1 1 374.847 3.198 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@H]3CCCO3)CC2)c1C#N ZINC000615234995 507781897 /nfs/dbraw/zinc/78/18/97/507781897.db2.gz KLIXPJFKVMFZCU-OAQYLSRUSA-N 1 1 350.466 3.443 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257489 601317261 /nfs/dbraw/zinc/31/72/61/601317261.db2.gz DGJOBAIOXJNXEG-YVWKXTFCSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257489 601317263 /nfs/dbraw/zinc/31/72/63/601317263.db2.gz DGJOBAIOXJNXEG-YVWKXTFCSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257489 601317265 /nfs/dbraw/zinc/31/72/65/601317265.db2.gz DGJOBAIOXJNXEG-YVWKXTFCSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257489 601317267 /nfs/dbraw/zinc/31/72/67/601317267.db2.gz DGJOBAIOXJNXEG-YVWKXTFCSA-N 1 1 355.482 3.270 20 30 FGEDMO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000826168823 608464272 /nfs/dbraw/zinc/46/42/72/608464272.db2.gz ZKJLHMUTLRSCDW-UHFFFAOYSA-N 1 1 372.432 3.036 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(N(C)C)c(F)c1 ZINC000823915419 608633512 /nfs/dbraw/zinc/63/35/12/608633512.db2.gz XKZANFBBDUXFHE-UHFFFAOYSA-N 1 1 366.444 3.260 20 30 FGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825322875 608643505 /nfs/dbraw/zinc/64/35/05/608643505.db2.gz KRILRXMXJLEQSG-UHFFFAOYSA-N 1 1 350.401 3.290 20 30 FGEDMO Cc1ccc(S(=O)(=O)CCCO[NH+]=C(N)CCc2ccccc2)cc1 ZINC000091596385 700422317 /nfs/dbraw/zinc/42/23/17/700422317.db2.gz DOVKOCNWLGRVRF-UHFFFAOYSA-N 1 1 360.479 3.080 20 30 FGEDMO N#Cc1ccc([C@H](O)C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000126958086 700755156 /nfs/dbraw/zinc/75/51/56/700755156.db2.gz SGMCJCQTLZQCLT-HXUWFJFHSA-N 1 1 355.869 3.063 20 30 FGEDMO COCC[N@@H+]1[C@H](C)CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000130149144 700796944 /nfs/dbraw/zinc/79/69/44/700796944.db2.gz FXZQDEBGNJHVMK-IYBDPMFKSA-N 1 1 354.416 3.098 20 30 FGEDMO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000130285529 700798896 /nfs/dbraw/zinc/79/88/96/700798896.db2.gz UFYZKBOTPIZFTR-HNNXBMFYSA-N 1 1 356.857 3.348 20 30 FGEDMO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000130285725 700798920 /nfs/dbraw/zinc/79/89/20/700798920.db2.gz UFYZKBOTPIZFTR-OAHLLOKOSA-N 1 1 356.857 3.348 20 30 FGEDMO Cn1cc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)c(C(F)(F)F)n1 ZINC000155053724 705061130 /nfs/dbraw/zinc/06/11/30/705061130.db2.gz SNDAFPSMLNDZAL-UHFFFAOYSA-N 1 1 352.360 3.211 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000174732076 705516596 /nfs/dbraw/zinc/51/65/96/705516596.db2.gz ZWGZRFYSCGHWTN-FQEVSTJZSA-N 1 1 355.869 3.457 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c(Br)c1 ZINC000181152361 705774732 /nfs/dbraw/zinc/77/47/32/705774732.db2.gz AVMPUCOQGULWOY-INIZCTEOSA-N 1 1 358.239 3.369 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c(Br)c1 ZINC000181152361 705774736 /nfs/dbraw/zinc/77/47/36/705774736.db2.gz AVMPUCOQGULWOY-INIZCTEOSA-N 1 1 358.239 3.369 20 30 FGEDMO N#Cc1cc(Br)cnc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309900419 713797197 /nfs/dbraw/zinc/79/71/97/713797197.db2.gz OTZZYGURBXFGDQ-INIZCTEOSA-N 1 1 357.255 3.402 20 30 FGEDMO COc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(Br)c1 ZINC000328783568 713825669 /nfs/dbraw/zinc/82/56/69/713825669.db2.gz GLWNRXREHCHGDW-LSDHHAIUSA-N 1 1 368.275 3.220 20 30 FGEDMO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329331762 713829174 /nfs/dbraw/zinc/82/91/74/713829174.db2.gz ZQEIBPJKEZINDM-MTNOOBJLSA-N 1 1 351.535 3.204 20 30 FGEDMO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000329959191 713833307 /nfs/dbraw/zinc/83/33/07/713833307.db2.gz QKSNVLFXOLWFDA-HZPDHXFCSA-N 1 1 367.559 3.298 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC2(CCO2)CC1 ZINC000374376288 713917950 /nfs/dbraw/zinc/91/79/50/713917950.db2.gz CWHOVXBJSIASSE-HNNXBMFYSA-N 1 1 359.495 3.274 20 30 FGEDMO COC[C@@H]1CCCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000375106386 713967962 /nfs/dbraw/zinc/96/79/62/713967962.db2.gz ULBYLDFCBGYGLU-MRXNPFEDSA-N 1 1 363.889 3.335 20 30 FGEDMO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cnc3c(C#N)cnn3c1)CCC2 ZINC000521876191 714153694 /nfs/dbraw/zinc/15/36/94/714153694.db2.gz OWYZDGBZENJAKS-OAHLLOKOSA-N 1 1 352.467 3.129 20 30 FGEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cnc3c(C#N)cnn3c1)CCC2 ZINC000521876191 714153696 /nfs/dbraw/zinc/15/36/96/714153696.db2.gz OWYZDGBZENJAKS-OAHLLOKOSA-N 1 1 352.467 3.129 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)CCC1 ZINC000526283506 714409414 /nfs/dbraw/zinc/40/94/14/714409414.db2.gz LWTDAPBEPGOYBZ-UHFFFAOYSA-N 1 1 363.914 3.459 20 30 FGEDMO N#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000619154446 714806452 /nfs/dbraw/zinc/80/64/52/714806452.db2.gz BEROUIIYTDRWKR-MRXNPFEDSA-N 1 1 351.372 3.076 20 30 FGEDMO N#Cc1cc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccn1 ZINC000619516722 714847542 /nfs/dbraw/zinc/84/75/42/714847542.db2.gz MESOUAAMDIGHLI-OAHLLOKOSA-N 1 1 355.747 3.449 20 30 FGEDMO C=CCOc1c(Cl)cc(CN[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000623446227 715338104 /nfs/dbraw/zinc/33/81/04/715338104.db2.gz VYECYHXHVZRKCW-DYVFJYSZSA-N 1 1 350.890 3.486 20 30 FGEDMO C=CCOc1c(Cl)cc(CN[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000623446227 715338108 /nfs/dbraw/zinc/33/81/08/715338108.db2.gz VYECYHXHVZRKCW-DYVFJYSZSA-N 1 1 350.890 3.486 20 30 FGEDMO C=CC(C)(C)CCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000627686379 716054204 /nfs/dbraw/zinc/05/42/04/716054204.db2.gz GEQAPMKZIAXODM-UHFFFAOYSA-N 1 1 351.878 3.059 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C[C@H](C)O)C2CC2)cc1OC ZINC000656281078 719387919 /nfs/dbraw/zinc/38/79/19/719387919.db2.gz RGWGNBPDFHIYNR-LBPRGKRZSA-N 1 1 370.287 3.368 20 30 FGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C#N)cc2F)CC3)cs1 ZINC001164692632 719812073 /nfs/dbraw/zinc/81/20/73/719812073.db2.gz PWIPZRGVMVHMRO-UHFFFAOYSA-N 1 1 371.485 3.492 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000660058048 719981850 /nfs/dbraw/zinc/98/18/50/719981850.db2.gz UVHKBXZRARGIJQ-LJQANCHMSA-N 1 1 362.539 3.174 20 30 FGEDMO C#CCNC(=S)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000782211157 724639063 /nfs/dbraw/zinc/63/90/63/724639063.db2.gz XUTWHJXTRYNHTD-HOTGVXAUSA-N 1 1 367.921 3.490 20 30 FGEDMO C#CCNC(=S)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000782211157 724639066 /nfs/dbraw/zinc/63/90/66/724639066.db2.gz XUTWHJXTRYNHTD-HOTGVXAUSA-N 1 1 367.921 3.490 20 30 FGEDMO Cc1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1C#N ZINC001164721168 720338213 /nfs/dbraw/zinc/33/82/13/720338213.db2.gz AXEIEUXQFRITKQ-DLBZAZTESA-N 1 1 353.857 3.163 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000783072963 724721186 /nfs/dbraw/zinc/72/11/86/724721186.db2.gz DXTSWZDSYFIKSI-CRAIPNDOSA-N 1 1 363.889 3.012 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(F)c3C#N)C[C@@H]21 ZINC001165025943 721816219 /nfs/dbraw/zinc/81/62/19/721816219.db2.gz OJXCRBTVBKAAET-ZAAXVRCTSA-N 1 1 365.456 3.224 20 30 FGEDMO C[C@H]1CSc2ccc(Br)cc2C1=NN1CC[NH+](C)CC1 ZINC000729931641 722463516 /nfs/dbraw/zinc/46/35/16/722463516.db2.gz PRYSICKJXYYAMN-NSHDSACASA-N 1 1 354.317 3.142 20 30 FGEDMO C=CCn1c2ccccc2n(C[NH+]2CCC(C3OCCO3)CC2)c1=S ZINC000738138884 722528737 /nfs/dbraw/zinc/52/87/37/722528737.db2.gz RSLJVMQCQIHNEK-UHFFFAOYSA-N 1 1 359.495 3.401 20 30 FGEDMO C=C(Br)COC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000741342050 722545032 /nfs/dbraw/zinc/54/50/32/722545032.db2.gz MDWYWYPIXUWHHY-UHFFFAOYSA-N 1 1 371.250 3.033 20 30 FGEDMO C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@@H+]1C ZINC000742195297 722553198 /nfs/dbraw/zinc/55/31/98/722553198.db2.gz CSDUMSMHDIBLIZ-HNNXBMFYSA-N 1 1 351.475 3.486 20 30 FGEDMO C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@H+]1C ZINC000742195297 722553199 /nfs/dbraw/zinc/55/31/99/722553199.db2.gz CSDUMSMHDIBLIZ-HNNXBMFYSA-N 1 1 351.475 3.486 20 30 FGEDMO N#Cc1ccc(NCCNc2cc[nH+]c3ccc(Br)cc23)nc1 ZINC000749441626 722728977 /nfs/dbraw/zinc/72/89/77/722728977.db2.gz DQBKVRKIJZLDBY-UHFFFAOYSA-N 1 1 368.238 3.210 20 30 FGEDMO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000750067193 722753644 /nfs/dbraw/zinc/75/36/44/722753644.db2.gz MKNDAOJUDNIZQX-AWEZNQCLSA-N 1 1 362.543 3.381 20 30 FGEDMO C#C[C@H](CC)NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000753180522 722888618 /nfs/dbraw/zinc/88/86/18/722888618.db2.gz UWZHSTKRMSQNCF-VBQJREDUSA-N 1 1 351.853 3.183 20 30 FGEDMO C[C@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCS1 ZINC000755199074 722951238 /nfs/dbraw/zinc/95/12/38/722951238.db2.gz JEUYWEJEHKXLRI-DZGCQCFKSA-N 1 1 352.463 3.051 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000756552804 722966755 /nfs/dbraw/zinc/96/67/55/722966755.db2.gz KKJBZXCBMSDVBN-SFHVURJKSA-N 1 1 354.475 3.302 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000762166843 723221344 /nfs/dbraw/zinc/22/13/44/723221344.db2.gz DEFYFHYXFLLIJJ-OAHLLOKOSA-N 1 1 357.401 3.271 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000763457027 723344415 /nfs/dbraw/zinc/34/44/15/723344415.db2.gz RCIAETBTMQACKZ-UHFFFAOYSA-N 1 1 361.873 3.219 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc2ccccc2c(Cl)n1 ZINC000794559468 723531138 /nfs/dbraw/zinc/53/11/38/723531138.db2.gz HGNLDZMBEWJLHE-UHFFFAOYSA-N 1 1 354.845 3.130 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000765799683 723541827 /nfs/dbraw/zinc/54/18/27/723541827.db2.gz YDQKKXVUWAHUPR-WDYCEAGBSA-N 1 1 350.890 3.332 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765799683 723541829 /nfs/dbraw/zinc/54/18/29/723541829.db2.gz YDQKKXVUWAHUPR-WDYCEAGBSA-N 1 1 350.890 3.332 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767886368 723638167 /nfs/dbraw/zinc/63/81/67/723638167.db2.gz WDSMSEITMOLUJJ-HNNXBMFYSA-N 1 1 353.388 3.257 20 30 FGEDMO Brc1ccc2ccc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)nc2c1 ZINC000771557864 723737392 /nfs/dbraw/zinc/73/73/92/723737392.db2.gz PPQARKYDRWAIQX-GASCZTMLSA-N 1 1 372.270 3.191 20 30 FGEDMO C#C[C@H]([NH2+][C@H](C)c1ccccc1I)[C@@H]1CCCO1 ZINC000775571937 724001916 /nfs/dbraw/zinc/00/19/16/724001916.db2.gz MZEQLWNBELXSBJ-UGFHNGPFSA-N 1 1 355.219 3.123 20 30 FGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000775601540 724007952 /nfs/dbraw/zinc/00/79/52/724007952.db2.gz CUZSYBDJWRTYQX-OAHLLOKOSA-N 1 1 353.388 3.083 20 30 FGEDMO C#C[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H]1CCCO1 ZINC000775791541 724061890 /nfs/dbraw/zinc/06/18/90/724061890.db2.gz VXIOHBBSAYJNGK-IRXDYDNUSA-N 1 1 372.266 3.177 20 30 FGEDMO N#CC1(c2ccccn2)CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000800409082 724192843 /nfs/dbraw/zinc/19/28/43/724192843.db2.gz DKEYNHMMQNRMJL-QGZVFWFLSA-N 1 1 359.832 3.465 20 30 FGEDMO Cc1nc(Cl)sc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000778114879 724299086 /nfs/dbraw/zinc/29/90/86/724299086.db2.gz WTDLENGZFMPCAO-UHFFFAOYSA-N 1 1 374.897 3.393 20 30 FGEDMO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801923439 724346596 /nfs/dbraw/zinc/34/65/96/724346596.db2.gz HWOKKKFQLDNELJ-LSDHHAIUSA-N 1 1 366.303 3.056 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000801931612 724347144 /nfs/dbraw/zinc/34/71/44/724347144.db2.gz JRACQBCCQZJCLQ-DZGCQCFKSA-N 1 1 360.845 3.498 20 30 FGEDMO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000801941698 724348708 /nfs/dbraw/zinc/34/87/08/724348708.db2.gz SWVWEFCJSMUFRY-WDEREUQCSA-N 1 1 365.231 3.078 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1ccc(Br)cc1C#N ZINC000808256581 725190211 /nfs/dbraw/zinc/19/02/11/725190211.db2.gz DQNLGNIBNMHUOO-GFCCVEGCSA-N 1 1 365.275 3.194 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(C#N)cs3)C[C@H]21 ZINC000811490561 725369123 /nfs/dbraw/zinc/36/91/23/725369123.db2.gz UTACSCCJJLTOKO-BPLDGKMQSA-N 1 1 362.499 3.140 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(C#N)cs3)C[C@H]21 ZINC000811490561 725369125 /nfs/dbraw/zinc/36/91/25/725369125.db2.gz UTACSCCJJLTOKO-BPLDGKMQSA-N 1 1 362.499 3.140 20 30 FGEDMO C#CC[N@H+](C[C@@H](O)C(C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000814623971 726987888 /nfs/dbraw/zinc/98/78/88/726987888.db2.gz GWBHZHWFCCIILB-HZPDHXFCSA-N 1 1 352.272 3.225 20 30 FGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814673885 726991958 /nfs/dbraw/zinc/99/19/58/726991958.db2.gz QWDQLOQIDITLLY-KSZLIROESA-N 1 1 352.519 3.283 20 30 FGEDMO COCc1nc(Cl)cc(N=NC2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000814980003 727016542 /nfs/dbraw/zinc/01/65/42/727016542.db2.gz ZGEUAHYDLLQINX-CYBMUJFWSA-N 1 1 359.861 3.196 20 30 FGEDMO C=CCC(F)(F)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000815988273 727113807 /nfs/dbraw/zinc/11/38/07/727113807.db2.gz FKWIUYOAXLZXMX-DLBZAZTESA-N 1 1 350.409 3.301 20 30 FGEDMO C=CCC(F)(F)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000815988273 727113808 /nfs/dbraw/zinc/11/38/08/727113808.db2.gz FKWIUYOAXLZXMX-DLBZAZTESA-N 1 1 350.409 3.301 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)CCCOc1cccc(Cl)c1Cl ZINC000818588794 727315438 /nfs/dbraw/zinc/31/54/38/727315438.db2.gz GVGMMWZQWNSYAW-UHFFFAOYSA-N 1 1 357.281 3.224 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000818606567 727316368 /nfs/dbraw/zinc/31/63/68/727316368.db2.gz WYGYOCVJAMZIFQ-UHFFFAOYSA-N 1 1 361.898 3.077 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000819313502 727366573 /nfs/dbraw/zinc/36/65/73/727366573.db2.gz HPJMZIILNDHQAB-YPMHNXCESA-N 1 1 373.975 3.438 20 30 FGEDMO N#Cc1ccc(F)c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000824754526 729357670 /nfs/dbraw/zinc/35/76/70/729357670.db2.gz CQOGTOATKMRNAP-HNNXBMFYSA-N 1 1 357.454 3.401 20 30 FGEDMO C#CCN(Cc1c[nH+]c(C)n1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000824802220 729359416 /nfs/dbraw/zinc/35/94/16/729359416.db2.gz INPOTJLLJOKBOE-QGZVFWFLSA-N 1 1 374.282 3.450 20 30 FGEDMO O=C(C#Cc1cccs1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000825588890 729388665 /nfs/dbraw/zinc/38/86/65/729388665.db2.gz PMZZXEXOWNUKPP-UHFFFAOYSA-N 1 1 352.503 3.267 20 30 FGEDMO C#C[C@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C1CCOCC1 ZINC000827570922 729431886 /nfs/dbraw/zinc/43/18/86/729431886.db2.gz UYNDTXABVLCJOA-INIZCTEOSA-N 1 1 356.447 3.057 20 30 FGEDMO C#Cc1cnc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nc1 ZINC000827761225 729434377 /nfs/dbraw/zinc/43/43/77/729434377.db2.gz PTPGJJZRLNLEDR-UHFFFAOYSA-N 1 1 371.282 3.297 20 30 FGEDMO C#CC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000830301584 729549208 /nfs/dbraw/zinc/54/92/08/729549208.db2.gz PASHKWAVOMPVGT-FQEVSTJZSA-N 1 1 356.466 3.438 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831576357 729652783 /nfs/dbraw/zinc/65/27/83/729652783.db2.gz FDPFFTKPAPYJKK-JSGCOSHPSA-N 1 1 371.790 3.054 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831576357 729652786 /nfs/dbraw/zinc/65/27/86/729652786.db2.gz FDPFFTKPAPYJKK-JSGCOSHPSA-N 1 1 371.790 3.054 20 30 FGEDMO C=CCc1cc(C[N@@H+](C)CCNC(=O)OC(C)(C)C)cc(OC)c1O ZINC000835077046 729856995 /nfs/dbraw/zinc/85/69/95/729856995.db2.gz HYMRLWNGIQFQKA-UHFFFAOYSA-N 1 1 350.459 3.086 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000836488920 729957492 /nfs/dbraw/zinc/95/74/92/729957492.db2.gz RELLWFBQWHPJJS-UHFFFAOYSA-N 1 1 361.536 3.477 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000836489369 729957549 /nfs/dbraw/zinc/95/75/49/729957549.db2.gz ZECXUUZBKZOUSV-AWEZNQCLSA-N 1 1 355.404 3.363 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000841360421 730235172 /nfs/dbraw/zinc/23/51/72/730235172.db2.gz JJIHTHSQONDPTF-INIZCTEOSA-N 1 1 368.250 3.472 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000842623940 730520965 /nfs/dbraw/zinc/52/09/65/730520965.db2.gz LWXLSXTVMYOVSZ-GOSISDBHSA-N 1 1 361.536 3.480 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000842623940 730520967 /nfs/dbraw/zinc/52/09/67/730520967.db2.gz LWXLSXTVMYOVSZ-GOSISDBHSA-N 1 1 361.536 3.480 20 30 FGEDMO C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@H](O)c1cccc(C#N)c1 ZINC000844368481 730708622 /nfs/dbraw/zinc/70/86/22/730708622.db2.gz VPVJOAIMVRAMJD-KRWDZBQOSA-N 1 1 358.825 3.148 20 30 FGEDMO Cn1c2cc(Cl)ccc2nc1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846007546 730917698 /nfs/dbraw/zinc/91/76/98/730917698.db2.gz PKNULNAQDQPHNK-SFHVURJKSA-N 1 1 354.841 3.264 20 30 FGEDMO Cn1c2cc(Cl)ccc2nc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846007546 730917700 /nfs/dbraw/zinc/91/77/00/730917700.db2.gz PKNULNAQDQPHNK-SFHVURJKSA-N 1 1 354.841 3.264 20 30 FGEDMO Brc1c(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)oc2ccccc12 ZINC000848406411 731161487 /nfs/dbraw/zinc/16/14/87/731161487.db2.gz DFSYJHCMJHUTRO-RYUDHWBXSA-N 1 1 361.243 3.389 20 30 FGEDMO OCc1ccc(Br)c(N=NC2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848412199 731161753 /nfs/dbraw/zinc/16/17/53/731161753.db2.gz KZPLWCNSERIQSP-MRXNPFEDSA-N 1 1 352.276 3.358 20 30 FGEDMO Cc1c(Cl)cccc1NC(=O)Cc1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848626069 731189196 /nfs/dbraw/zinc/18/91/96/731189196.db2.gz CIEPYKRZULLZIR-CYBMUJFWSA-N 1 1 361.833 3.296 20 30 FGEDMO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000851794092 731499294 /nfs/dbraw/zinc/49/92/94/731499294.db2.gz OQYIGKSGJAIDDN-BZSNNMDCSA-N 1 1 366.398 3.343 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)c1ccc(Br)cc1 ZINC000861838018 732739193 /nfs/dbraw/zinc/73/91/93/732739193.db2.gz OEBDIXAGEYCBCQ-INIZCTEOSA-N 1 1 351.288 3.014 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000862643379 732858993 /nfs/dbraw/zinc/85/89/93/732858993.db2.gz RAAOAEPAFUBJBJ-BMIGLBTASA-N 1 1 371.225 3.002 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000862643379 732858997 /nfs/dbraw/zinc/85/89/97/732858997.db2.gz RAAOAEPAFUBJBJ-BMIGLBTASA-N 1 1 371.225 3.002 20 30 FGEDMO C=C(Cl)C[C@H]1NC(=O)N(C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1=O ZINC000865301423 733176589 /nfs/dbraw/zinc/17/65/89/733176589.db2.gz LQTGQCHHRBETRX-DZGCQCFKSA-N 1 1 367.902 3.023 20 30 FGEDMO C[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1cccc(C#N)c1O ZINC000866354369 733339150 /nfs/dbraw/zinc/33/91/50/733339150.db2.gz ZLPBORBPDQLYPA-LLVKDONJSA-N 1 1 351.328 3.451 20 30 FGEDMO CCC(CC)c1nnc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)s1 ZINC000867943363 733536032 /nfs/dbraw/zinc/53/60/32/733536032.db2.gz SLZRTZBVCRBVII-HNNXBMFYSA-N 1 1 355.467 3.139 20 30 FGEDMO Cc1nc(CC(C)C)c(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)s1 ZINC000867952486 733537385 /nfs/dbraw/zinc/53/73/85/733537385.db2.gz AOUKRBYEUPTINC-KRWDZBQOSA-N 1 1 354.479 3.347 20 30 FGEDMO CSCCc1ccc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867956590 733537872 /nfs/dbraw/zinc/53/78/72/733537872.db2.gz ULIQPMGTAHQALA-IBGZPJMESA-N 1 1 351.475 3.289 20 30 FGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(NC(=O)c3ccccc3)CCCC2)no1 ZINC000872181851 735602154 /nfs/dbraw/zinc/60/21/54/735602154.db2.gz QMQZGDMRPVPCES-AWEZNQCLSA-N 1 1 360.845 3.411 20 30 FGEDMO Cc1nc(-c2ccc(C)cc2)sc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000874438117 735869828 /nfs/dbraw/zinc/86/98/28/735869828.db2.gz ICMXMKNGDSIRHB-UHFFFAOYSA-N 1 1 354.479 3.145 20 30 FGEDMO N#Cc1ccc(C[N@H+](C[C@@H](O)c2cc(Br)no2)C2CC2)cc1 ZINC000878001752 736754898 /nfs/dbraw/zinc/75/48/98/736754898.db2.gz ASZRSNWAFRJVOB-CQSZACIVSA-N 1 1 362.227 3.007 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1cc(Br)no1 ZINC000878727821 736911852 /nfs/dbraw/zinc/91/18/52/736911852.db2.gz DGBPUUMYRYRHPP-MFKMUULPSA-N 1 1 350.216 3.035 20 30 FGEDMO N#CCC1(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000878921607 736933389 /nfs/dbraw/zinc/93/33/89/736933389.db2.gz VLTWAWUEYXKHME-HUUCEWRRSA-N 1 1 357.420 3.336 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H]3CSC[C@H]3C2)c2ccccc21 ZINC000879556718 737006068 /nfs/dbraw/zinc/00/60/68/737006068.db2.gz LAYKQDNNBQEUDW-JKSUJKDBSA-N 1 1 353.491 3.423 20 30 FGEDMO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)CCC1 ZINC000886193797 739227712 /nfs/dbraw/zinc/22/77/12/739227712.db2.gz CGNMDYKFMHQVIX-GOEBONIOSA-N 1 1 364.287 3.426 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)CCC1 ZINC000886193797 739227717 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20 30 FGEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000579953494 505652464 /nfs/dbraw/zinc/65/24/64/505652464.db2.gz JNTGOXYWBOVQBD-KRWDZBQOSA-N 1 1 355.829 3.074 20 30 FGEDMO COc1cc(C[N@@H+](Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)ccc1C#N ZINC000573961095 505660603 /nfs/dbraw/zinc/66/06/03/505660603.db2.gz BJPPPFYDXLLYNR-HTAPYJJXSA-N 1 1 366.461 3.109 20 30 FGEDMO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000080885560 493787653 /nfs/dbraw/zinc/78/76/53/493787653.db2.gz YGCBOOATCISHGK-FCHUYYIVSA-N 1 1 359.473 3.049 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)cc1 ZINC000075891321 493791988 /nfs/dbraw/zinc/79/19/88/493791988.db2.gz TVQXNZPRVFICNG-HZPDHXFCSA-N 1 1 361.511 3.158 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000048161331 493794779 /nfs/dbraw/zinc/79/47/79/493794779.db2.gz OQOADDMSHHBHKY-UHFFFAOYSA-N 1 1 372.513 3.187 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000076148815 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362.477 3.093 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000081532375 493911662 /nfs/dbraw/zinc/91/16/62/493911662.db2.gz SOMOBTSLNQIQRX-HXUWFJFHSA-N 1 1 362.477 3.093 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083172585 494002262 /nfs/dbraw/zinc/00/22/62/494002262.db2.gz NRRCYLLYKJUJGF-SFHVURJKSA-N 1 1 374.554 3.169 20 30 FGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000083198294 494006331 /nfs/dbraw/zinc/00/63/31/494006331.db2.gz KJMPXSROOCHSGF-HXUWFJFHSA-N 1 1 364.449 3.052 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000032832149 494021088 /nfs/dbraw/zinc/02/10/88/494021088.db2.gz IYEFMLZKFGNBNM-CXAGYDPISA-N 1 1 366.303 3.324 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000032832149 494021090 /nfs/dbraw/zinc/02/10/90/494021090.db2.gz IYEFMLZKFGNBNM-CXAGYDPISA-N 1 1 366.303 3.324 20 30 FGEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1cccc([N+](=O)[O-])c1 ZINC000063288187 494040101 /nfs/dbraw/zinc/04/01/01/494040101.db2.gz LDPYAGURCBVVMB-UHFFFAOYSA-N 1 1 364.405 3.483 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000063401890 494051662 /nfs/dbraw/zinc/05/16/62/494051662.db2.gz GXZNXRDOSCRJND-IAGOWNOFSA-N 1 1 374.485 3.413 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCOc1ccccc1Cl ZINC000052711326 494056262 /nfs/dbraw/zinc/05/62/62/494056262.db2.gz JULKTINILPYLJT-KDOFPFPSSA-N 1 1 351.878 3.094 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccccc1Cl ZINC000052711326 494056264 /nfs/dbraw/zinc/05/62/64/494056264.db2.gz JULKTINILPYLJT-KDOFPFPSSA-N 1 1 351.878 3.094 20 30 FGEDMO N#Cc1ccc(OCCN2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000577323687 505705428 /nfs/dbraw/zinc/70/54/28/505705428.db2.gz AAUDBMCIPMMFQB-UHFFFAOYSA-N 1 1 358.445 3.307 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC(C)(C)O1 ZINC000065426366 494196373 /nfs/dbraw/zinc/19/63/73/494196373.db2.gz 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C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000078594994 494326542 /nfs/dbraw/zinc/32/65/42/494326542.db2.gz BZVPYMXKTNQVOU-KRWDZBQOSA-N 1 1 368.477 3.397 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000577369408 505714687 /nfs/dbraw/zinc/71/46/87/505714687.db2.gz CAFGFPYSEYRAJF-TZIWHRDSSA-N 1 1 369.509 3.441 20 30 FGEDMO C=CC[N@@H+](CCCSc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000066559914 494354460 /nfs/dbraw/zinc/35/44/60/494354460.db2.gz WEEMMMYFACRYHP-CQSZACIVSA-N 1 1 359.944 3.497 20 30 FGEDMO C=CC[N@H+](CCCSc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000066559914 494354464 /nfs/dbraw/zinc/35/44/64/494354464.db2.gz WEEMMMYFACRYHP-CQSZACIVSA-N 1 1 359.944 3.497 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2scnc2C)c(OC)c1 ZINC000066562589 494356651 /nfs/dbraw/zinc/35/66/51/494356651.db2.gz MZZSCWDZCXKCQY-INIZCTEOSA-N 1 1 362.495 3.060 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCOc1ccccc1 ZINC000073604596 494398082 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N#Cc1ccccc1N1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000046087021 494493134 /nfs/dbraw/zinc/49/31/34/494493134.db2.gz GBYARPHZXVPYPW-UHFFFAOYSA-N 1 1 359.433 3.321 20 30 FGEDMO N#CCCC1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000571399508 505724706 /nfs/dbraw/zinc/72/47/06/505724706.db2.gz SZFASPQSTDKJGV-HXUWFJFHSA-N 1 1 354.498 3.376 20 30 FGEDMO Cc1cc(NCc2c[nH+]c(N(C)C)n2C)n2c3ccccc3nc2c1C#N ZINC000074259701 494505684 /nfs/dbraw/zinc/50/56/84/494505684.db2.gz CBTWQXKWWKDLHQ-UHFFFAOYSA-N 1 1 359.437 3.079 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1Cl ZINC000074311893 494514962 /nfs/dbraw/zinc/51/49/62/494514962.db2.gz SFRDASYXJOVRGO-LJQANCHMSA-N 1 1 369.852 3.132 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1Cl ZINC000074311893 494514963 /nfs/dbraw/zinc/51/49/63/494514963.db2.gz SFRDASYXJOVRGO-LJQANCHMSA-N 1 1 369.852 3.132 20 30 FGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000056512330 494516671 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COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000114724558 495416498 /nfs/dbraw/zinc/41/64/98/495416498.db2.gz XMSXAXIDPQOWKW-GOSISDBHSA-N 1 1 365.433 3.351 20 30 FGEDMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000114724558 495416501 /nfs/dbraw/zinc/41/65/01/495416501.db2.gz XMSXAXIDPQOWKW-GOSISDBHSA-N 1 1 365.433 3.351 20 30 FGEDMO Cc1cc(F)ccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000137070681 495421815 /nfs/dbraw/zinc/42/18/15/495421815.db2.gz XLDXATNTOUHKEO-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO Cc1cc(F)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000137070681 495421817 /nfs/dbraw/zinc/42/18/17/495421817.db2.gz XLDXATNTOUHKEO-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO C=C[C@@H](CC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1ccccc1 ZINC000137150369 495426911 /nfs/dbraw/zinc/42/69/11/495426911.db2.gz JGWOMAGJMAIDPY-INIZCTEOSA-N 1 1 351.450 3.485 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140385943 495494488 /nfs/dbraw/zinc/49/44/88/495494488.db2.gz RSHQTENOZZVTHA-ZXYWRSMDSA-N 1 1 361.873 3.166 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000125774595 495496247 /nfs/dbraw/zinc/49/62/47/495496247.db2.gz OHBYOKFPPPVCDX-HNNXBMFYSA-N 1 1 365.433 3.351 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000125774595 495496251 /nfs/dbraw/zinc/49/62/51/495496251.db2.gz OHBYOKFPPPVCDX-HNNXBMFYSA-N 1 1 365.433 3.351 20 30 FGEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000131267747 495515189 /nfs/dbraw/zinc/51/51/89/495515189.db2.gz MAEIZYMXTHTFHK-SFHVURJKSA-N 1 1 353.422 3.463 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)C(N)=O)cc1 ZINC000115598702 495520666 /nfs/dbraw/zinc/52/06/66/495520666.db2.gz KAUOVUSQDBMDLS-MSOLQXFVSA-N 1 1 371.387 3.353 20 30 FGEDMO N#Cc1ccc([C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C(N)=O)cc1 ZINC000115599353 495520927 /nfs/dbraw/zinc/52/09/27/495520927.db2.gz CNWFMDVVRABIHM-DLBZAZTESA-N 1 1 370.250 3.124 20 30 FGEDMO COCCO[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000179362050 495560143 /nfs/dbraw/zinc/56/01/43/495560143.db2.gz AWHBEQZJHKIELL-KRWDZBQOSA-N 1 1 357.372 3.064 20 30 FGEDMO COCCO[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000179362050 495560146 /nfs/dbraw/zinc/56/01/46/495560146.db2.gz AWHBEQZJHKIELL-KRWDZBQOSA-N 1 1 357.372 3.064 20 30 FGEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000179502360 495619013 /nfs/dbraw/zinc/61/90/13/495619013.db2.gz AWBQSSBWQLVTKO-KRWDZBQOSA-N 1 1 351.454 3.202 20 30 FGEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179502360 495619016 /nfs/dbraw/zinc/61/90/16/495619016.db2.gz AWBQSSBWQLVTKO-KRWDZBQOSA-N 1 1 351.454 3.202 20 30 FGEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000179502360 495619020 /nfs/dbraw/zinc/61/90/20/495619020.db2.gz AWBQSSBWQLVTKO-KRWDZBQOSA-N 1 1 351.454 3.202 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCCCC#N ZINC000176388630 495631409 /nfs/dbraw/zinc/63/14/09/495631409.db2.gz OVNYVFPFOTZLHB-UHFFFAOYSA-N 1 1 354.454 3.405 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCCCCC#N ZINC000176388630 495631414 /nfs/dbraw/zinc/63/14/14/495631414.db2.gz OVNYVFPFOTZLHB-UHFFFAOYSA-N 1 1 354.454 3.405 20 30 FGEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000182631088 495642414 /nfs/dbraw/zinc/64/24/14/495642414.db2.gz CLEQPHMCCFIJQE-CQSZACIVSA-N 1 1 354.431 3.429 20 30 FGEDMO CCN(C(=O)NCC#Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159086690 495654900 /nfs/dbraw/zinc/65/49/00/495654900.db2.gz FDKROQAGDNHPRY-QFIPXVFZSA-N 1 1 361.489 3.344 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000170934890 495658470 /nfs/dbraw/zinc/65/84/70/495658470.db2.gz ANSQWQPVVLRIIF-GOSISDBHSA-N 1 1 374.847 3.453 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c(F)c1 ZINC000170937496 495659643 /nfs/dbraw/zinc/65/96/43/495659643.db2.gz YNHLRPCOYQUHFS-GOSISDBHSA-N 1 1 369.415 3.365 20 30 FGEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000574549188 505799105 /nfs/dbraw/zinc/79/91/05/505799105.db2.gz OXMRBPCCDMBVJB-PXNSSMCTSA-N 1 1 354.498 3.355 20 30 FGEDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000173913557 495744450 /nfs/dbraw/zinc/74/44/50/495744450.db2.gz AYNNMBVQAJFZKK-DLBZAZTESA-N 1 1 374.554 3.150 20 30 FGEDMO CC(=O)N1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000179815140 495746679 /nfs/dbraw/zinc/74/66/79/495746679.db2.gz HLPFLTIUXUALJY-UHFFFAOYSA-N 1 1 363.461 3.191 20 30 FGEDMO C=CCOc1ccc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1Cl ZINC000185863551 495754962 /nfs/dbraw/zinc/75/49/62/495754962.db2.gz BATJSGASGXXMTL-INIZCTEOSA-N 1 1 351.922 3.020 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000151219300 495774510 /nfs/dbraw/zinc/77/45/10/495774510.db2.gz YOZCJXVOSJKQLX-KRWDZBQOSA-N 1 1 372.517 3.305 20 30 FGEDMO C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000173995343 495780491 /nfs/dbraw/zinc/78/04/91/495780491.db2.gz JQFPRBHMZZULGG-GOSISDBHSA-N 1 1 362.477 3.093 20 30 FGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000179928066 495786568 /nfs/dbraw/zinc/78/65/68/495786568.db2.gz GBDRBJYHPUFUBM-UHFFFAOYSA-N 1 1 368.444 3.076 20 30 FGEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)c[nH]1 ZINC000159788816 495809961 /nfs/dbraw/zinc/80/99/61/495809961.db2.gz DNIQUQKVLFJRNG-GOSISDBHSA-N 1 1 374.448 3.091 20 30 FGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)cc1 ZINC000155134340 495848729 /nfs/dbraw/zinc/84/87/29/495848729.db2.gz JTWGIJSLGQMAGJ-DLBZAZTESA-N 1 1 351.922 3.104 20 30 FGEDMO N#CCCN(CC1CC1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000176938898 495849273 /nfs/dbraw/zinc/84/92/73/495849273.db2.gz TVLPWPRSUULPTF-UHFFFAOYSA-N 1 1 358.511 3.393 20 30 FGEDMO C[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000180152235 495881523 /nfs/dbraw/zinc/88/15/23/495881523.db2.gz IJGXRSUJXFKRPN-QGZVFWFLSA-N 1 1 351.498 3.169 20 30 FGEDMO COc1ccc(C[NH2+]Cc2cccnc2OCC(F)(F)F)cc1C#N ZINC000174263172 495887268 /nfs/dbraw/zinc/88/72/68/495887268.db2.gz DNKQELQORTXEMX-UHFFFAOYSA-N 1 1 351.328 3.193 20 30 FGEDMO N#CCC[N@H+](CCC(=O)Nc1ccc(Br)cc1)CC1CC1 ZINC000177030373 495891428 /nfs/dbraw/zinc/89/14/28/495891428.db2.gz FUQVBBCAPTUGND-UHFFFAOYSA-N 1 1 350.260 3.403 20 30 FGEDMO CCc1ccccc1NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000574602063 505811145 /nfs/dbraw/zinc/81/11/45/505811145.db2.gz QLRJMZCTSSFCEI-UHFFFAOYSA-N 1 1 351.450 3.208 20 30 FGEDMO CCc1ccccc1NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000574602063 505811148 /nfs/dbraw/zinc/81/11/48/505811148.db2.gz QLRJMZCTSSFCEI-UHFFFAOYSA-N 1 1 351.450 3.208 20 30 FGEDMO C[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000151656688 495908199 /nfs/dbraw/zinc/90/81/99/495908199.db2.gz XXMTUDLDZJMUHY-DYESRHJHSA-N 1 1 363.461 3.027 20 30 FGEDMO C[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000151656688 495908206 /nfs/dbraw/zinc/90/82/06/495908206.db2.gz XXMTUDLDZJMUHY-DYESRHJHSA-N 1 1 363.461 3.027 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000160220664 495913295 /nfs/dbraw/zinc/91/32/95/495913295.db2.gz IDZRLERYNVYGKK-LAUBAEHRSA-N 1 1 362.477 3.363 20 30 FGEDMO N#Cc1cc(F)c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000151724551 495928902 /nfs/dbraw/zinc/92/89/02/495928902.db2.gz NSMSQIFMWNQXGB-INIZCTEOSA-N 1 1 369.415 3.131 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580682022 505812706 /nfs/dbraw/zinc/81/27/06/505812706.db2.gz SLTIEKJMKCJJCT-SZMVWBNQSA-N 1 1 354.853 3.058 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580682022 505812708 /nfs/dbraw/zinc/81/27/08/505812708.db2.gz SLTIEKJMKCJJCT-SZMVWBNQSA-N 1 1 354.853 3.058 20 30 FGEDMO Clc1ccc(C#CC[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000177135520 495941396 /nfs/dbraw/zinc/94/13/96/495941396.db2.gz DPDIIZWJLIOFON-UHFFFAOYSA-N 1 1 370.884 3.160 20 30 FGEDMO Clc1ccc(C#CC[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000177135520 495941403 /nfs/dbraw/zinc/94/14/03/495941403.db2.gz DPDIIZWJLIOFON-UHFFFAOYSA-N 1 1 370.884 3.160 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)c(C#N)c1C ZINC000177165567 495955800 /nfs/dbraw/zinc/95/58/00/495955800.db2.gz ODWKURVBBJKYCZ-GOSISDBHSA-N 1 1 369.490 3.157 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c(C#N)c1C ZINC000177165567 495955803 /nfs/dbraw/zinc/95/58/03/495955803.db2.gz ODWKURVBBJKYCZ-GOSISDBHSA-N 1 1 369.490 3.157 20 30 FGEDMO COc1ccc([C@@H](CCC#N)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000580694382 505815310 /nfs/dbraw/zinc/81/53/10/505815310.db2.gz RCRHRIVZSBXPRC-MRXNPFEDSA-N 1 1 364.492 3.295 20 30 FGEDMO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000186401938 495983374 /nfs/dbraw/zinc/98/33/74/495983374.db2.gz MDUQOXDVNVCAJK-UHFFFAOYSA-N 1 1 374.444 3.425 20 30 FGEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000174628186 496038609 /nfs/dbraw/zinc/03/86/09/496038609.db2.gz PYUXWVZMTZLYEQ-IBGZPJMESA-N 1 1 351.406 3.010 20 30 FGEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000174628186 496038612 /nfs/dbraw/zinc/03/86/12/496038612.db2.gz PYUXWVZMTZLYEQ-IBGZPJMESA-N 1 1 351.406 3.010 20 30 FGEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000160908756 496065531 /nfs/dbraw/zinc/06/55/31/496065531.db2.gz OVKVDAQKYUBMBH-INIZCTEOSA-N 1 1 352.413 3.252 20 30 FGEDMO C=CCOc1ccc(C[N@@H+](CCC)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000161074687 496098033 /nfs/dbraw/zinc/09/80/33/496098033.db2.gz CFFWAWQDDWIDBN-OAHLLOKOSA-N 1 1 357.903 3.304 20 30 FGEDMO C=CCOc1ccc(C[N@H+](CCC)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000161074687 496098040 /nfs/dbraw/zinc/09/80/40/496098040.db2.gz CFFWAWQDDWIDBN-OAHLLOKOSA-N 1 1 357.903 3.304 20 30 FGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000152344277 496123306 /nfs/dbraw/zinc/12/33/06/496123306.db2.gz GYHGVMKJDDGXLC-AWEZNQCLSA-N 1 1 355.388 3.183 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000152344277 496123312 /nfs/dbraw/zinc/12/33/12/496123312.db2.gz GYHGVMKJDDGXLC-AWEZNQCLSA-N 1 1 355.388 3.183 20 30 FGEDMO CC[C@@H](NC(=O)c1cc(C#N)cs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177607914 496130833 /nfs/dbraw/zinc/13/08/33/496130833.db2.gz IKXOHZYDIKFWPV-MSOLQXFVSA-N 1 1 369.490 3.029 20 30 FGEDMO CC[C@@H](NC(=O)c1cc(C#N)cs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177607914 496130836 /nfs/dbraw/zinc/13/08/36/496130836.db2.gz IKXOHZYDIKFWPV-MSOLQXFVSA-N 1 1 369.490 3.029 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000156065716 496147992 /nfs/dbraw/zinc/14/79/92/496147992.db2.gz GEIUVLYCEYWXBN-KRWDZBQOSA-N 1 1 365.481 3.264 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)cc1OC ZINC000180867092 496178679 /nfs/dbraw/zinc/17/86/79/496178679.db2.gz CRGALRKAHCMBIC-OCCSQVGLSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)cc1OC ZINC000180867092 496178683 /nfs/dbraw/zinc/17/86/83/496178683.db2.gz CRGALRKAHCMBIC-OCCSQVGLSA-N 1 1 370.287 3.225 20 30 FGEDMO C[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000177792333 496198760 /nfs/dbraw/zinc/19/87/60/496198760.db2.gz LRQIFVVOKQOHLC-KRWDZBQOSA-N 1 1 354.479 3.159 20 30 FGEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000177792333 496198768 /nfs/dbraw/zinc/19/87/68/496198768.db2.gz LRQIFVVOKQOHLC-KRWDZBQOSA-N 1 1 354.479 3.159 20 30 FGEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2(C#N)CCOCC2)c1 ZINC000172244568 496225390 /nfs/dbraw/zinc/22/53/90/496225390.db2.gz IPHLGDABRIHFFV-UHFFFAOYSA-N 1 1 363.461 3.121 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000156515117 496266388 /nfs/dbraw/zinc/26/63/88/496266388.db2.gz ZYHVIKLMEFWJGI-CQSZACIVSA-N 1 1 363.483 3.002 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1C ZINC000152959828 496308536 /nfs/dbraw/zinc/30/85/36/496308536.db2.gz SLEPCHQUFJCARA-QUCCMNQESA-N 1 1 355.482 3.051 20 30 FGEDMO Cc1nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000172487462 496314696 /nfs/dbraw/zinc/31/46/96/496314696.db2.gz GPWNFXLMFQZMAZ-UZLBHIALSA-N 1 1 362.477 3.387 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCc1ccccn1 ZINC000153019567 496328588 /nfs/dbraw/zinc/32/85/88/496328588.db2.gz LSRKERJNOSLALQ-MRXNPFEDSA-N 1 1 368.506 3.446 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCc1ccccn1 ZINC000153019567 496328597 /nfs/dbraw/zinc/32/85/97/496328597.db2.gz LSRKERJNOSLALQ-MRXNPFEDSA-N 1 1 368.506 3.446 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172584513 496352293 /nfs/dbraw/zinc/35/22/93/496352293.db2.gz FZBJCMLOEZGFEJ-OAHLLOKOSA-N 1 1 374.916 3.489 20 30 FGEDMO C[C@H]1CCC[C@H](CO)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000181381599 496373564 /nfs/dbraw/zinc/37/35/64/496373564.db2.gz FTLWAHJXHFHJJL-UONOGXRCSA-N 1 1 361.511 3.062 20 30 FGEDMO C[N@H+]1CCC[C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000157171278 496420924 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ZASQTFHSBMYFOP-NSHDSACASA-N 1 1 350.875 3.030 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000275519798 497351506 /nfs/dbraw/zinc/35/15/06/497351506.db2.gz ZAXCNEZOFZXBFM-STQMWFEESA-N 1 1 363.412 3.090 20 30 FGEDMO C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCC[C@H](C)C1 ZINC000245405137 497389352 /nfs/dbraw/zinc/38/93/52/497389352.db2.gz RTUAJZGHUCREBZ-DLBZAZTESA-N 1 1 354.498 3.353 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)C1 ZINC000245432259 497402335 /nfs/dbraw/zinc/40/23/35/497402335.db2.gz ONBUUYZMKJOBSA-AZUAARDMSA-N 1 1 370.541 3.212 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1C ZINC000193584533 497419774 /nfs/dbraw/zinc/41/97/74/497419774.db2.gz HAFFYOCBVUVCIN-SFHVURJKSA-N 1 1 365.481 3.153 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1C ZINC000193584533 497419778 /nfs/dbraw/zinc/41/97/78/497419778.db2.gz HAFFYOCBVUVCIN-SFHVURJKSA-N 1 1 365.481 3.153 20 30 FGEDMO C[C@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000245565842 497459923 /nfs/dbraw/zinc/45/99/23/497459923.db2.gz WWBQYNROQFWBDP-LAUBAEHRSA-N 1 1 368.502 3.458 20 30 FGEDMO C[C@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000245565842 497459925 /nfs/dbraw/zinc/45/99/25/497459925.db2.gz WWBQYNROQFWBDP-LAUBAEHRSA-N 1 1 368.502 3.458 20 30 FGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000245576716 497464176 /nfs/dbraw/zinc/46/41/76/497464176.db2.gz GELJLCJVUIAIOA-YLJYHZDGSA-N 1 1 368.477 3.117 20 30 FGEDMO C[N@@H+]1CC=C(CNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000271892165 497481902 /nfs/dbraw/zinc/48/19/02/497481902.db2.gz ONYKRAISNIRRBA-UHFFFAOYSA-N 1 1 361.445 3.129 20 30 FGEDMO CC(=O)c1ccccc1OCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000193834849 497496074 /nfs/dbraw/zinc/49/60/74/497496074.db2.gz ZCQKRJSYNQJTIC-UHFFFAOYSA-N 1 1 363.461 3.352 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000276520529 497592105 /nfs/dbraw/zinc/59/21/05/497592105.db2.gz VGUUURMDPXOTSA-MRXNPFEDSA-N 1 1 369.509 3.244 20 30 FGEDMO N#CCOc1ccccc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000194186684 497597107 /nfs/dbraw/zinc/59/71/07/497597107.db2.gz GNTAXDIRMWEPQI-UHFFFAOYSA-N 1 1 355.482 3.317 20 30 FGEDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246097950 497620780 /nfs/dbraw/zinc/62/07/80/497620780.db2.gz AQDVRPQNNWGLRB-CVEARBPZSA-N 1 1 361.511 3.378 20 30 FGEDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000246097950 497620782 /nfs/dbraw/zinc/62/07/82/497620782.db2.gz AQDVRPQNNWGLRB-CVEARBPZSA-N 1 1 361.511 3.378 20 30 FGEDMO COCC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000272480915 497640987 /nfs/dbraw/zinc/64/09/87/497640987.db2.gz QUHMUYUAOCCCOF-MSOLQXFVSA-N 1 1 353.422 3.014 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccnc1Cl ZINC000272495131 497643578 /nfs/dbraw/zinc/64/35/78/497643578.db2.gz CYGDDSDUJOMKGL-GUYCJALGSA-N 1 1 354.841 3.453 20 30 FGEDMO C=CCSCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000194564980 497706768 /nfs/dbraw/zinc/70/67/68/497706768.db2.gz FTZSCWKDDWXUSP-UHFFFAOYSA-N 1 1 369.481 3.148 20 30 FGEDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000280337114 497723641 /nfs/dbraw/zinc/72/36/41/497723641.db2.gz IDIHBDCKPJKQAQ-NRFANRHFSA-N 1 1 357.498 3.441 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000246433509 497733294 /nfs/dbraw/zinc/73/32/94/497733294.db2.gz CSXZZNFECJTHPR-VXGBXAGGSA-N 1 1 374.432 3.102 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000246433509 497733298 /nfs/dbraw/zinc/73/32/98/497733298.db2.gz CSXZZNFECJTHPR-VXGBXAGGSA-N 1 1 374.432 3.102 20 30 FGEDMO N#Cc1ccnc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000268496007 497765512 /nfs/dbraw/zinc/76/55/12/497765512.db2.gz PBNCBVGTTUAJKL-UHFFFAOYSA-N 1 1 373.363 3.216 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000280548690 497787245 /nfs/dbraw/zinc/78/72/45/497787245.db2.gz QGJVSHPAKDRBGT-CHWSQXEVSA-N 1 1 354.292 3.308 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000273086258 497797134 /nfs/dbraw/zinc/79/71/34/497797134.db2.gz IMHMQFQXJMYSPU-FQEVSTJZSA-N 1 1 369.440 3.012 20 30 FGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246734445 497806066 /nfs/dbraw/zinc/80/60/66/497806066.db2.gz JUQZWXDCXIHTNF-XFQXTVEOSA-N 1 1 354.425 3.315 20 30 FGEDMO O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000329561495 497830394 /nfs/dbraw/zinc/83/03/94/497830394.db2.gz MUOSMFIKNGKMFL-LJQANCHMSA-N 1 1 358.482 3.150 20 30 FGEDMO O=C(C[N@H+]1CCOCC2(CCOCC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000329561495 497830401 /nfs/dbraw/zinc/83/04/01/497830401.db2.gz MUOSMFIKNGKMFL-LJQANCHMSA-N 1 1 358.482 3.150 20 30 FGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329601140 497841976 /nfs/dbraw/zinc/84/19/76/497841976.db2.gz KMAMSVQSTZVHBV-UONOGXRCSA-N 1 1 361.442 3.470 20 30 FGEDMO C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295890272 497842581 /nfs/dbraw/zinc/84/25/81/497842581.db2.gz HUHRJLSRVAPYFC-PKOBYXMFSA-N 1 1 367.497 3.026 20 30 FGEDMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3ncnc4sccc43)C2)C1 ZINC000329631946 497850812 /nfs/dbraw/zinc/85/08/12/497850812.db2.gz RPJWXSMELBPWHU-CABCVRRESA-N 1 1 373.526 3.349 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@H]3C3CC3)sc2C1 ZINC000334033884 497855260 /nfs/dbraw/zinc/85/52/60/497855260.db2.gz MRWRCLKUYHPCBZ-SUMWQHHRSA-N 1 1 373.522 3.184 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOC[C@@H]3C3CC3)sc2C1 ZINC000334033884 497855266 /nfs/dbraw/zinc/85/52/66/497855266.db2.gz MRWRCLKUYHPCBZ-SUMWQHHRSA-N 1 1 373.522 3.184 20 30 FGEDMO CCn1cc([C@@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000295931883 497858289 /nfs/dbraw/zinc/85/82/89/497858289.db2.gz GALXBTVVWVOMFY-CYBMUJFWSA-N 1 1 371.510 3.394 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)sc2c1CCCC2 ZINC000329650470 497858317 /nfs/dbraw/zinc/85/83/17/497858317.db2.gz KNJSXEBBVXUKSJ-MAZHCROVSA-N 1 1 359.495 3.179 20 30 FGEDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc(C4(C#N)CC4)cc3)n1)OC2 ZINC000329678583 497866359 /nfs/dbraw/zinc/86/63/59/497866359.db2.gz QLBHLFICNMVKOW-APWZRJJASA-N 1 1 350.422 3.218 20 30 FGEDMO C[C@H](NC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2)C1=CC[N@@H+](C)CC1 ZINC000329700644 497874564 /nfs/dbraw/zinc/87/45/64/497874564.db2.gz GVBMWHSPRAKIRW-MAUKXSAKSA-N 1 1 371.481 3.159 20 30 FGEDMO C=CCN(C(=O)NCc1c(C)noc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364278618 497876939 /nfs/dbraw/zinc/87/69/39/497876939.db2.gz JIVJDDFCULVIBT-IBGZPJMESA-N 1 1 368.481 3.264 20 30 FGEDMO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1OCCc2sccc21 ZINC000292125106 497887909 /nfs/dbraw/zinc/88/79/09/497887909.db2.gz AUBPUUKCYSUMIN-SGTLLEGYSA-N 1 1 366.446 3.462 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000575208282 505942560 /nfs/dbraw/zinc/94/25/60/505942560.db2.gz CPQKENQEIORVIZ-UWJYYQICSA-N 1 1 362.477 3.363 20 30 FGEDMO O=C(Nc1ccn2ccnc2c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000329771747 497896789 /nfs/dbraw/zinc/89/67/89/497896789.db2.gz GZEIDINZKUXIEZ-UHFFFAOYSA-N 1 1 355.486 3.468 20 30 FGEDMO Cc1cc(F)cc(-n2cc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)nn2)c1 ZINC000329841199 497921945 /nfs/dbraw/zinc/92/19/45/497921945.db2.gz JXXLGAGJLARXQF-MQVJKMGUSA-N 1 1 357.433 3.035 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000329949500 497964937 /nfs/dbraw/zinc/96/49/37/497964937.db2.gz BSOBQIWLJKDVLW-RQXATKFSSA-N 1 1 371.525 3.358 20 30 FGEDMO C=CCCCN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000285023498 497972469 /nfs/dbraw/zinc/97/24/69/497972469.db2.gz HPYGKZQJNGBAOU-RTWAWAEBSA-N 1 1 366.509 3.060 20 30 FGEDMO O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000329964306 497972498 /nfs/dbraw/zinc/97/24/98/497972498.db2.gz SZUBSHBCBKGJRK-VQTJNVASSA-N 1 1 369.509 3.194 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000285062406 497984002 /nfs/dbraw/zinc/98/40/02/497984002.db2.gz LQJZHJWEDYZRAK-MOPGFXCFSA-N 1 1 351.454 3.002 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)NCc2ccc(CC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000578527025 505961192 /nfs/dbraw/zinc/96/11/92/505961192.db2.gz WIFWZENRPNNSLA-UWJYYQICSA-N 1 1 362.477 3.215 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000330029286 497996977 /nfs/dbraw/zinc/99/69/77/497996977.db2.gz PSTFPMONUKKAEK-JKSUJKDBSA-N 1 1 353.401 3.222 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000364548489 498017945 /nfs/dbraw/zinc/01/79/45/498017945.db2.gz ZHGRLXDPDDDNFX-KRWDZBQOSA-N 1 1 359.514 3.459 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1cccnc1 ZINC000364568931 498028463 /nfs/dbraw/zinc/02/84/63/498028463.db2.gz JXSQYLRXWMNJHZ-ICSRJNTNSA-N 1 1 360.461 3.060 20 30 FGEDMO CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1 ZINC000285253103 498034296 /nfs/dbraw/zinc/03/42/96/498034296.db2.gz ZFXKQQSLZJHXTP-FXAWDEMLSA-N 1 1 368.529 3.353 20 30 FGEDMO N#CC1(CCC[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CCOCC1 ZINC000281153523 498036177 /nfs/dbraw/zinc/03/61/77/498036177.db2.gz BMDICKZMAWFGSQ-LJQANCHMSA-N 1 1 358.482 3.474 20 30 FGEDMO CC[C@@H]1CN(C(=O)Nc2nc(C(C)(C)C)cs2)C[C@H]1[NH+]1CCOCC1 ZINC000330186522 498053799 /nfs/dbraw/zinc/05/37/99/498053799.db2.gz JVUXVBDPTJIPIG-ZIAGYGMSSA-N 1 1 366.531 3.029 20 30 FGEDMO N#Cc1ccc(OC2CC[NH+](Cc3cn4ccccc4n3)CC2)c(F)c1 ZINC000285429376 498081244 /nfs/dbraw/zinc/08/12/44/498081244.db2.gz HFLRIFZAZDTHDW-UHFFFAOYSA-N 1 1 350.397 3.388 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000281268547 498081469 /nfs/dbraw/zinc/08/14/69/498081469.db2.gz FQPNLTZWXGYTJG-BZEDWVGSSA-N 1 1 355.482 3.147 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000292619992 498083660 /nfs/dbraw/zinc/08/36/60/498083660.db2.gz FZAMQXNSECDJGV-CRAIPNDOSA-N 1 1 373.522 3.399 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000292619992 498083666 /nfs/dbraw/zinc/08/36/66/498083666.db2.gz FZAMQXNSECDJGV-CRAIPNDOSA-N 1 1 373.522 3.399 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000330265027 498085338 /nfs/dbraw/zinc/08/53/38/498085338.db2.gz YRAAYENIHHNYEV-FQEVSTJZSA-N 1 1 369.509 3.299 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000330265027 498085339 /nfs/dbraw/zinc/08/53/39/498085339.db2.gz YRAAYENIHHNYEV-FQEVSTJZSA-N 1 1 369.509 3.299 20 30 FGEDMO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330284611 498094002 /nfs/dbraw/zinc/09/40/02/498094002.db2.gz XTCQLRUMPWOMGO-QRFRQXIXSA-N 1 1 374.529 3.478 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000330294655 498096531 /nfs/dbraw/zinc/09/65/31/498096531.db2.gz ITOPYLAINNNIGA-XJKSGUPXSA-N 1 1 359.474 3.123 20 30 FGEDMO C[C@]1(CNC(=O)[C@H]2CCn3cncc3C2)CCC[N@H+]1Cc1ccccc1 ZINC000330314551 498102049 /nfs/dbraw/zinc/10/20/49/498102049.db2.gz PGFDZEYZHZWHMO-GHTZIAJQSA-N 1 1 352.482 3.457 20 30 FGEDMO CSc1ccccc1[C@@H](C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000330435284 498132980 /nfs/dbraw/zinc/13/29/80/498132980.db2.gz YGJLEZBPNXRPCB-LSDHHAIUSA-N 1 1 365.543 3.161 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)cs1 ZINC000330455809 498135272 /nfs/dbraw/zinc/13/52/72/498135272.db2.gz NGVJEBCNWRMEPU-IAQYHMDHSA-N 1 1 372.332 3.385 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000330455809 498135279 /nfs/dbraw/zinc/13/52/79/498135279.db2.gz NGVJEBCNWRMEPU-IAQYHMDHSA-N 1 1 372.332 3.385 20 30 FGEDMO N#Cc1c(N)n[nH]c1CCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000301523760 498146823 /nfs/dbraw/zinc/14/68/23/498146823.db2.gz MKRIOPCPTCIVCX-UHFFFAOYSA-N 1 1 371.242 3.219 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000330537506 498149946 /nfs/dbraw/zinc/14/99/46/498149946.db2.gz KMHOKAUOQVYDRG-TYNCELHUSA-N 1 1 350.260 3.003 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000289454428 498153205 /nfs/dbraw/zinc/15/32/05/498153205.db2.gz LHWMZYFVHIKYSL-AWEZNQCLSA-N 1 1 367.415 3.378 20 30 FGEDMO CCN(C)C(=O)c1cccc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000330609418 498158268 /nfs/dbraw/zinc/15/82/68/498158268.db2.gz SAWJYJDATATPQK-IXDOHACOSA-N 1 1 359.514 3.450 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccnc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000330690006 498174589 /nfs/dbraw/zinc/17/45/89/498174589.db2.gz YDUIQPHZYZVRTC-OCCSQVGLSA-N 1 1 374.407 3.230 20 30 FGEDMO COCCC1(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CCCCC1 ZINC000364853576 498174762 /nfs/dbraw/zinc/17/47/62/498174762.db2.gz KUQUAUZATBUJTO-VGOFRKELSA-N 1 1 367.493 3.319 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC3(CC2)OCCCO3)c(Br)c1 ZINC000292867614 498177512 /nfs/dbraw/zinc/17/75/12/498177512.db2.gz BDWTWNAJUIFXNS-UHFFFAOYSA-N 1 1 351.244 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500512687 /nfs/dbraw/zinc/51/26/87/500512687.db2.gz AAZKNRNPZQVDKB-UHFFFAOYSA-N 1 1 360.505 3.129 20 30 FGEDMO C=CCCn1cc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)nn1 ZINC000424596352 500524123 /nfs/dbraw/zinc/52/41/23/500524123.db2.gz SIAHGRDQKWWNCF-QGZVFWFLSA-N 1 1 367.497 3.159 20 30 FGEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](CC(F)(F)F)C3)C2=O)cc1 ZINC000420945604 500538290 /nfs/dbraw/zinc/53/82/90/500538290.db2.gz LBEKSRVYCYPDCQ-GDBMZVCRSA-N 1 1 351.372 3.328 20 30 FGEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](CC(F)(F)F)C3)C2=O)cc1 ZINC000420945604 500538292 /nfs/dbraw/zinc/53/82/92/500538292.db2.gz LBEKSRVYCYPDCQ-GDBMZVCRSA-N 1 1 351.372 3.328 20 30 FGEDMO CCOC1(C)CC[NH+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000428724492 500549089 /nfs/dbraw/zinc/54/90/89/500549089.db2.gz QCHSMWGNUVDRGQ-CYBMUJFWSA-N 1 1 361.511 3.326 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@]23CCOC3)sc2c1CCCCC2 ZINC000421034276 500560611 /nfs/dbraw/zinc/56/06/11/500560611.db2.gz NWDLEKWSBSEVLR-LJQANCHMSA-N 1 1 359.495 3.082 20 30 FGEDMO C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CCCC1(C)C ZINC000447424315 500604433 /nfs/dbraw/zinc/60/44/33/500604433.db2.gz VQCSBXPYCLFORJ-SFHVURJKSA-N 1 1 355.482 3.164 20 30 FGEDMO C=CC[C@@H]1N(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CCCC1(C)C ZINC000447424315 500604437 /nfs/dbraw/zinc/60/44/37/500604437.db2.gz VQCSBXPYCLFORJ-SFHVURJKSA-N 1 1 355.482 3.164 20 30 FGEDMO CC[C@@H]([NH2+]CCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447508346 500614125 /nfs/dbraw/zinc/61/41/25/500614125.db2.gz QXOVYECPJAYVRT-HSZRJFAPSA-N 1 1 362.521 3.417 20 30 FGEDMO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(C#N)c(OC)c1 ZINC000442884434 500640524 /nfs/dbraw/zinc/64/05/24/500640524.db2.gz KMDASCFMOSSMOQ-UHFFFAOYSA-N 1 1 374.387 3.410 20 30 FGEDMO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2ccccc21 ZINC000442884839 500640740 /nfs/dbraw/zinc/64/07/40/500640740.db2.gz LPQKMYCYITWHGZ-IBGZPJMESA-N 1 1 350.418 3.229 20 30 FGEDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2ccccc21 ZINC000442884839 500640742 /nfs/dbraw/zinc/64/07/42/500640742.db2.gz LPQKMYCYITWHGZ-IBGZPJMESA-N 1 1 350.418 3.229 20 30 FGEDMO Cn1c[nH+]c2cc(NCc3cn(CCC#N)nc3-c3ccncc3)ccc21 ZINC000433332279 500673984 /nfs/dbraw/zinc/67/39/84/500673984.db2.gz UHNNJMFKWAQLSJ-UHFFFAOYSA-N 1 1 357.421 3.358 20 30 FGEDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000447925434 500690628 /nfs/dbraw/zinc/69/06/28/500690628.db2.gz IYSSSRNJDWYHCW-IIBYNOLFSA-N 1 1 354.425 3.239 20 30 FGEDMO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000573568519 506212990 /nfs/dbraw/zinc/21/29/90/506212990.db2.gz UJUWXJFHUHCOCN-MRXNPFEDSA-N 1 1 365.412 3.252 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437878126 500710979 /nfs/dbraw/zinc/71/09/79/500710979.db2.gz ORYUPDBEQISWJC-VQIMIIECSA-N 1 1 355.482 3.239 20 30 FGEDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443495802 500730211 /nfs/dbraw/zinc/73/02/11/500730211.db2.gz AKYZJTFFCHURJA-CYBMUJFWSA-N 1 1 361.371 3.250 20 30 FGEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000573553191 506211171 /nfs/dbraw/zinc/21/11/71/506211171.db2.gz XYMYRWBNHMORSB-BXWFABGCSA-N 1 1 367.497 3.059 20 30 FGEDMO C=CCc1cc(C[N@H+](CCOC)[C@@H]2CCCSC2)cc(OC)c1O ZINC000448373837 500755251 /nfs/dbraw/zinc/75/52/51/500755251.db2.gz JVDYZBKXMONKNE-QGZVFWFLSA-N 1 1 351.512 3.473 20 30 FGEDMO CCOC(=O)[C@@H](CC(C)C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438314308 500768398 /nfs/dbraw/zinc/76/83/98/500768398.db2.gz OPAMEXYYANFOFX-DAWZGUTISA-N 1 1 359.470 3.211 20 30 FGEDMO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000448559140 500771787 /nfs/dbraw/zinc/77/17/87/500771787.db2.gz XTNVUEKVRVOUBE-JPYJTQIMSA-N 1 1 359.473 3.470 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(C#N)c1Br ZINC000448593343 500780320 /nfs/dbraw/zinc/78/03/20/500780320.db2.gz YYGXWJUZULHYQC-ZDUSSCGKSA-N 1 1 364.287 3.315 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)n2C)C1 ZINC000448710555 500811157 /nfs/dbraw/zinc/81/11/57/500811157.db2.gz UVSGPLLCLUSVIY-MRXNPFEDSA-N 1 1 350.466 3.059 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000444167265 500812446 /nfs/dbraw/zinc/81/24/46/500812446.db2.gz LHJZRISPMPNZIK-JMDAGXMHSA-N 1 1 362.562 3.112 20 30 FGEDMO N#Cc1cccc(OCC[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)c1 ZINC000611577321 506220839 /nfs/dbraw/zinc/22/08/39/506220839.db2.gz UOLTXTBBXCJHEY-SFHVURJKSA-N 1 1 364.367 3.362 20 30 FGEDMO N#Cc1cccc(OCC[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)c1 ZINC000611577321 506220845 /nfs/dbraw/zinc/22/08/45/506220845.db2.gz UOLTXTBBXCJHEY-SFHVURJKSA-N 1 1 364.367 3.362 20 30 FGEDMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2nccc(C#N)c2Cl)C1 ZINC000439172594 500866855 /nfs/dbraw/zinc/86/68/55/500866855.db2.gz VLLOQGAJWUSMFQ-CYBMUJFWSA-N 1 1 361.902 3.330 20 30 FGEDMO Cc1cc(OCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)ccc1C#N ZINC000434643393 500871735 /nfs/dbraw/zinc/87/17/35/500871735.db2.gz BQFRLCZGJPLKHJ-SFHVURJKSA-N 1 1 363.461 3.151 20 30 FGEDMO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439314979 500884009 /nfs/dbraw/zinc/88/40/09/500884009.db2.gz IBBPVGOHVGKHGN-AWEZNQCLSA-N 1 1 351.853 3.361 20 30 FGEDMO COC(=O)c1ccc(C[NH+]2CCC(CC#N)CC2)c(Br)c1 ZINC000582435754 506222732 /nfs/dbraw/zinc/22/27/32/506222732.db2.gz IPUPIBIUABXRNM-UHFFFAOYSA-N 1 1 351.244 3.361 20 30 FGEDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439426813 500895690 /nfs/dbraw/zinc/89/56/90/500895690.db2.gz CDFWEBPEMCVMIM-LBPRGKRZSA-N 1 1 363.870 3.052 20 30 FGEDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439426813 500895694 /nfs/dbraw/zinc/89/56/94/500895694.db2.gz CDFWEBPEMCVMIM-LBPRGKRZSA-N 1 1 363.870 3.052 20 30 FGEDMO COc1cc2ccccc2cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000449011881 500896129 /nfs/dbraw/zinc/89/61/29/500896129.db2.gz VWQFQJXJHYLAOF-UHFFFAOYSA-N 1 1 358.445 3.437 20 30 FGEDMO CCC[C@]1(CO)CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000444775037 500897539 /nfs/dbraw/zinc/89/75/39/500897539.db2.gz LOUSPMITHXEKLV-OAQYLSRUSA-N 1 1 357.498 3.177 20 30 FGEDMO COc1cc(C#N)ccc1C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000444814187 500906173 /nfs/dbraw/zinc/90/61/73/500906173.db2.gz SFLZXEBGCBDYLA-IBGZPJMESA-N 1 1 354.450 3.217 20 30 FGEDMO C=CC[C@@H]1N(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000444887130 500917506 /nfs/dbraw/zinc/91/75/06/500917506.db2.gz RNZLLWISAPHVOW-OALUTQOASA-N 1 1 364.578 3.035 20 30 FGEDMO CC1(C#N)CCC([NH2+]CCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000449079360 500919650 /nfs/dbraw/zinc/91/96/50/500919650.db2.gz YIXAQEQMXHZJHO-UHFFFAOYSA-N 1 1 354.542 3.256 20 30 FGEDMO C=CCC[C@H](NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000435113128 500935001 /nfs/dbraw/zinc/93/50/01/500935001.db2.gz HKNGWLIBGYBWJG-PMACEKPBSA-N 1 1 359.514 3.350 20 30 FGEDMO C=CCOCCCC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000439796706 500940294 /nfs/dbraw/zinc/94/02/94/500940294.db2.gz YLYIJQUZKHVDHD-WIYYLYMNSA-N 1 1 373.541 3.432 20 30 FGEDMO C=CCOCCCC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000439796706 500940297 /nfs/dbraw/zinc/94/02/97/500940297.db2.gz YLYIJQUZKHVDHD-WIYYLYMNSA-N 1 1 373.541 3.432 20 30 FGEDMO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000440266408 500992610 /nfs/dbraw/zinc/99/26/10/500992610.db2.gz JOWNAPQHRQCSBN-SJLPKXTDSA-N 1 1 357.498 3.328 20 30 FGEDMO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000440487473 501014588 /nfs/dbraw/zinc/01/45/88/501014588.db2.gz KSVVXFSVVSFGPS-FQEVSTJZSA-N 1 1 362.901 3.087 20 30 FGEDMO CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000440487473 501014589 /nfs/dbraw/zinc/01/45/89/501014589.db2.gz KSVVXFSVVSFGPS-FQEVSTJZSA-N 1 1 362.901 3.087 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000435731220 501019394 /nfs/dbraw/zinc/01/93/94/501019394.db2.gz KIEUXTYRXPKONH-JXFKEZNVSA-N 1 1 363.933 3.163 20 30 FGEDMO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)o1 ZINC000598927150 506230567 /nfs/dbraw/zinc/23/05/67/506230567.db2.gz CPHMQMQOPYKFEQ-UHFFFAOYSA-N 1 1 355.413 3.302 20 30 FGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCC2 ZINC000449632126 501046732 /nfs/dbraw/zinc/04/67/32/501046732.db2.gz MFDFDZBONYEUBB-OALUTQOASA-N 1 1 365.481 3.248 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1OC ZINC000449673765 501058343 /nfs/dbraw/zinc/05/83/43/501058343.db2.gz QFFWGXCVRJWWCO-WMLDXEAASA-N 1 1 359.388 3.395 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1c(C)nc2sccn12 ZINC000440931192 501065262 /nfs/dbraw/zinc/06/52/62/501065262.db2.gz WGTAHIJAEXOTTM-KRWDZBQOSA-N 1 1 371.506 3.304 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1c(C)nc2sccn12 ZINC000440931192 501065266 /nfs/dbraw/zinc/06/52/66/501065266.db2.gz WGTAHIJAEXOTTM-KRWDZBQOSA-N 1 1 371.506 3.304 20 30 FGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000441051985 501080387 /nfs/dbraw/zinc/08/03/87/501080387.db2.gz PGLQJOXTUVKDRL-ORAYPTAESA-N 1 1 369.852 3.474 20 30 FGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000441051985 501080389 /nfs/dbraw/zinc/08/03/89/501080389.db2.gz PGLQJOXTUVKDRL-ORAYPTAESA-N 1 1 369.852 3.474 20 30 FGEDMO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441052358 501080861 /nfs/dbraw/zinc/08/08/61/501080861.db2.gz QDSSZAPPEPLSAF-UHFFFAOYSA-N 1 1 359.433 3.409 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000441052358 501080864 /nfs/dbraw/zinc/08/08/64/501080864.db2.gz QDSSZAPPEPLSAF-UHFFFAOYSA-N 1 1 359.433 3.409 20 30 FGEDMO C[C@@H]1C[N@H+](CCC2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000450372546 501103899 /nfs/dbraw/zinc/10/38/99/501103899.db2.gz PVQMGTKGLSGIQB-IYBDPMFKSA-N 1 1 372.469 3.182 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000449905308 501122472 /nfs/dbraw/zinc/12/24/72/501122472.db2.gz SSNUUQOGFCFSDF-OKILXGFUSA-N 1 1 352.438 3.056 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000449905308 501122474 /nfs/dbraw/zinc/12/24/74/501122474.db2.gz SSNUUQOGFCFSDF-OKILXGFUSA-N 1 1 352.438 3.056 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449907978 501123150 /nfs/dbraw/zinc/12/31/50/501123150.db2.gz RBEOMRQMXLRLRU-DNVCBOLYSA-N 1 1 350.466 3.320 20 30 FGEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000441374874 501129439 /nfs/dbraw/zinc/12/94/39/501129439.db2.gz HZPNDFXOGXTHMM-NRFANRHFSA-N 1 1 362.477 3.078 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C#N)c2Br)[C@@H](C)C1 ZINC000449985013 501145218 /nfs/dbraw/zinc/14/52/18/501145218.db2.gz LAERNMPZQZPEEE-SWLSCSKDSA-N 1 1 364.287 3.123 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450022084 501157407 /nfs/dbraw/zinc/15/74/07/501157407.db2.gz JTJZCEAHNYEGOK-JOCHJYFZSA-N 1 1 362.477 3.323 20 30 FGEDMO C=CCC1(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000450285876 501225965 /nfs/dbraw/zinc/22/59/65/501225965.db2.gz NXTNFHLGRUMUDO-PMACEKPBSA-N 1 1 356.510 3.265 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450301582 501229387 /nfs/dbraw/zinc/22/93/87/501229387.db2.gz JEGRXLZNKPREFH-FZKQIMNGSA-N 1 1 374.847 3.410 20 30 FGEDMO CC(C)(C)C1CCC(C#N)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000450943096 501233905 /nfs/dbraw/zinc/23/39/05/501233905.db2.gz HPCAYZSYCPRMNP-UHFFFAOYSA-N 1 1 351.454 3.496 20 30 FGEDMO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000451200203 501251434 /nfs/dbraw/zinc/25/14/34/501251434.db2.gz GXIBTWVNHJUNOD-BEFAXECRSA-N 1 1 361.511 3.235 20 30 FGEDMO COC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000451200203 501251435 /nfs/dbraw/zinc/25/14/35/501251435.db2.gz GXIBTWVNHJUNOD-BEFAXECRSA-N 1 1 361.511 3.235 20 30 FGEDMO N#Cc1cccc(OCCC[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451255341 501255351 /nfs/dbraw/zinc/25/53/51/501255351.db2.gz CWLAJVNIDIMRCN-LEWJYISDSA-N 1 1 354.425 3.127 20 30 FGEDMO N#Cc1cccc(OCCC[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000451255346 501255380 /nfs/dbraw/zinc/25/53/80/501255380.db2.gz CWLAJVNIDIMRCN-NHCUHLMSSA-N 1 1 354.425 3.127 20 30 FGEDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1)CC(C)C ZINC000457705851 501291671 /nfs/dbraw/zinc/29/16/71/501291671.db2.gz LCZKDNQFPWMBTP-UHFFFAOYSA-N 1 1 356.514 3.482 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451550442 501320565 /nfs/dbraw/zinc/32/05/65/501320565.db2.gz RRVNNYPLEPSNEV-KRWDZBQOSA-N 1 1 364.405 3.285 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451550442 501320567 /nfs/dbraw/zinc/32/05/67/501320567.db2.gz RRVNNYPLEPSNEV-KRWDZBQOSA-N 1 1 364.405 3.285 20 30 FGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]1C ZINC000451556431 501323526 /nfs/dbraw/zinc/32/35/26/501323526.db2.gz DHIROEDLTXRMAR-HLLBOEOZSA-N 1 1 361.511 3.376 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]1C ZINC000451556431 501323530 /nfs/dbraw/zinc/32/35/30/501323530.db2.gz DHIROEDLTXRMAR-HLLBOEOZSA-N 1 1 361.511 3.376 20 30 FGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1C ZINC000451558750 501324085 /nfs/dbraw/zinc/32/40/85/501324085.db2.gz GOIPFNSCOIZQEE-HLLBOEOZSA-N 1 1 361.511 3.234 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1C ZINC000451558750 501324087 /nfs/dbraw/zinc/32/40/87/501324087.db2.gz GOIPFNSCOIZQEE-HLLBOEOZSA-N 1 1 361.511 3.234 20 30 FGEDMO C=CCn1c(Cc2ccsc2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453426966 501329711 /nfs/dbraw/zinc/32/97/11/501329711.db2.gz VBRVSBDRIARKFV-XYJFISCASA-N 1 1 371.554 3.283 20 30 FGEDMO C=CCn1c(Cc2ccsc2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453426959 501329778 /nfs/dbraw/zinc/32/97/78/501329778.db2.gz VBRVSBDRIARKFV-JFIYKMOQSA-N 1 1 371.554 3.283 20 30 FGEDMO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453432184 501330865 /nfs/dbraw/zinc/33/08/65/501330865.db2.gz FUWVTRZLNJTCKM-HNNXBMFYSA-N 1 1 355.486 3.343 20 30 FGEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453456868 501337175 /nfs/dbraw/zinc/33/71/75/501337175.db2.gz WSKUMQRXHMNJSL-RHQZKXFESA-N 1 1 373.545 3.118 20 30 FGEDMO C[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000455762102 501381012 /nfs/dbraw/zinc/38/10/12/501381012.db2.gz AKBJZEYVTXLKAT-ZDUSSCGKSA-N 1 1 357.845 3.249 20 30 FGEDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCC2 ZINC000451864181 501388387 /nfs/dbraw/zinc/38/83/87/501388387.db2.gz ZKJWCUZWQSVWGU-SJORKVTESA-N 1 1 359.495 3.130 20 30 FGEDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCC2 ZINC000451864181 501388388 /nfs/dbraw/zinc/38/83/88/501388388.db2.gz ZKJWCUZWQSVWGU-SJORKVTESA-N 1 1 359.495 3.130 20 30 FGEDMO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Cc3c(F)cccc3F)CC2)cc1 ZINC000451956661 501407805 /nfs/dbraw/zinc/40/78/05/501407805.db2.gz HTIOUIQNFZGLHH-FQEVSTJZSA-N 1 1 369.415 3.318 20 30 FGEDMO COc1ccccc1[C@@H](CNC(=O)Nc1cccc(CC#N)c1)[NH+](C)C ZINC000455935909 501420191 /nfs/dbraw/zinc/42/01/91/501420191.db2.gz BKKHKXVOTYLOGC-GOSISDBHSA-N 1 1 352.438 3.186 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000455955030 501425634 /nfs/dbraw/zinc/42/56/34/501425634.db2.gz NDUDUIAKBNFMHO-UHFFFAOYSA-N 1 1 372.513 3.469 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000452128791 501442431 /nfs/dbraw/zinc/44/24/31/501442431.db2.gz YLUJULMMJIOQRM-RBUKOAKNSA-N 1 1 357.498 3.033 20 30 FGEDMO C=CCCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456354185 501507800 /nfs/dbraw/zinc/50/78/00/501507800.db2.gz ABSCFJBGJZNZHR-ZDUSSCGKSA-N 1 1 366.303 3.494 20 30 FGEDMO CC[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000458794045 501533368 /nfs/dbraw/zinc/53/33/68/501533368.db2.gz AKMIGPMAVDWHFG-PMACEKPBSA-N 1 1 372.513 3.174 20 30 FGEDMO CC[C@H](C)[NH+]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000456521632 501541593 /nfs/dbraw/zinc/54/15/93/501541593.db2.gz CKSHOPWFGDULOV-INIZCTEOSA-N 1 1 367.449 3.287 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000459103078 501594880 /nfs/dbraw/zinc/59/48/80/501594880.db2.gz BDHLDJMYSOHFGP-WMZOPIPTSA-N 1 1 372.488 3.493 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(OC)c1 ZINC000453034172 501605574 /nfs/dbraw/zinc/60/55/74/501605574.db2.gz JIVASMVZIBUVMP-DXIQSLLYSA-N 1 1 357.494 3.284 20 30 FGEDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000459570548 501678590 /nfs/dbraw/zinc/67/85/90/501678590.db2.gz BNKXNRHOBBQOFD-HXUWFJFHSA-N 1 1 368.437 3.162 20 30 FGEDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000459570548 501678591 /nfs/dbraw/zinc/67/85/91/501678591.db2.gz BNKXNRHOBBQOFD-HXUWFJFHSA-N 1 1 368.437 3.162 20 30 FGEDMO C[C@@H](C[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC(C)(C)C ZINC000459818225 501718065 /nfs/dbraw/zinc/71/80/65/501718065.db2.gz YJRRDGLOHBUGOC-LBPRGKRZSA-N 1 1 365.861 3.060 20 30 FGEDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)OC(C)(C)C ZINC000459818225 501718067 /nfs/dbraw/zinc/71/80/67/501718067.db2.gz YJRRDGLOHBUGOC-LBPRGKRZSA-N 1 1 365.861 3.060 20 30 FGEDMO COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C[C@H]1CC=CCC1 ZINC000485145782 501738934 /nfs/dbraw/zinc/73/89/34/501738934.db2.gz WFESFRHODSCDBL-INIZCTEOSA-N 1 1 361.511 3.480 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c(C#N)c1C ZINC000485189814 501751353 /nfs/dbraw/zinc/75/13/53/501751353.db2.gz BWHIPNFFIDTELA-GFCCVEGCSA-N 1 1 357.479 3.444 20 30 FGEDMO CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474238715 501756014 /nfs/dbraw/zinc/75/60/14/501756014.db2.gz JDYGAKDUGNFZTG-HXUWFJFHSA-N 1 1 373.460 3.315 20 30 FGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000481416778 501769906 /nfs/dbraw/zinc/76/99/06/501769906.db2.gz UVGOZERVULHKOI-RDTXWAMCSA-N 1 1 360.502 3.072 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](Nc2nc3ncccc3cc2C#N)[C@H](C)C1 ZINC000596128295 506272301 /nfs/dbraw/zinc/27/23/01/506272301.db2.gz HCCZETAFCIOEEY-CRAIPNDOSA-N 1 1 353.470 3.050 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCC(C)C)c(OCC)c2)C1=O ZINC000467519761 501815663 /nfs/dbraw/zinc/81/56/63/501815663.db2.gz GDIAVEXDPLUPRX-SFHVURJKSA-N 1 1 360.498 3.339 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCC(C)C)c(OCC)c2)C1=O ZINC000467519761 501815669 /nfs/dbraw/zinc/81/56/69/501815669.db2.gz GDIAVEXDPLUPRX-SFHVURJKSA-N 1 1 360.498 3.339 20 30 FGEDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000470915254 501854881 /nfs/dbraw/zinc/85/48/81/501854881.db2.gz FLVBWTRGOGINEN-NQIIRXRSSA-N 1 1 357.498 3.440 20 30 FGEDMO CCc1nnc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C#N)c1CC ZINC000467780786 501869904 /nfs/dbraw/zinc/86/99/04/501869904.db2.gz VAHZIMNMKACFCK-SFHVURJKSA-N 1 1 363.509 3.450 20 30 FGEDMO Cn1c2cccc(F)c2nc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000478196346 501906235 /nfs/dbraw/zinc/90/62/35/501906235.db2.gz LPOMTHPKGZSMMD-UHFFFAOYSA-N 1 1 363.440 3.296 20 30 FGEDMO CC[NH+]1CCN(c2ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc2F)CC1 ZINC000464162751 501911976 /nfs/dbraw/zinc/91/19/76/501911976.db2.gz OYUZXNNAOIUYOQ-HXUWFJFHSA-N 1 1 360.477 3.026 20 30 FGEDMO Cc1cc(N2CCC(Nc3cc(C)c([N+](=O)[O-])c(C#N)c3)CC2)nc(C)[nH+]1 ZINC000596151421 506281547 /nfs/dbraw/zinc/28/15/47/506281547.db2.gz KBUPUEHWSZKMFN-UHFFFAOYSA-N 1 1 366.425 3.263 20 30 FGEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460790567 501921475 /nfs/dbraw/zinc/92/14/75/501921475.db2.gz MORSINGFYCKUEF-XWTMOSNGSA-N 1 1 361.534 3.261 20 30 FGEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460790565 501922017 /nfs/dbraw/zinc/92/20/17/501922017.db2.gz MORSINGFYCKUEF-WNRNVDISSA-N 1 1 361.534 3.261 20 30 FGEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000485784162 501935272 /nfs/dbraw/zinc/93/52/72/501935272.db2.gz MOXBOGFNRBOFEP-IIBYNOLFSA-N 1 1 363.461 3.468 20 30 FGEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000485800579 501944015 /nfs/dbraw/zinc/94/40/15/501944015.db2.gz USLGWFBHGPYQRL-KKSFZXQISA-N 1 1 365.452 3.424 20 30 FGEDMO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1)OCC ZINC000482012453 501947784 /nfs/dbraw/zinc/94/77/84/501947784.db2.gz BMXAFTMYTAXQHO-URVUXULASA-N 1 1 372.509 3.461 20 30 FGEDMO C=C(C)COCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000474794713 501955194 /nfs/dbraw/zinc/95/51/94/501955194.db2.gz KNXPNZGKYFGHBQ-SFHVURJKSA-N 1 1 359.514 3.453 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000464347505 501962193 /nfs/dbraw/zinc/96/21/93/501962193.db2.gz ZNKCNQSYMOYZCE-TZIWHRDSSA-N 1 1 369.509 3.342 20 30 FGEDMO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCC(=O)Nc1sccc1C#N ZINC000482152718 501991563 /nfs/dbraw/zinc/99/15/63/501991563.db2.gz AKHNYIFJRWBOAG-SFHVURJKSA-N 1 1 370.522 3.304 20 30 FGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCC(=O)Nc1sccc1C#N ZINC000482152718 501991568 /nfs/dbraw/zinc/99/15/68/501991568.db2.gz AKHNYIFJRWBOAG-SFHVURJKSA-N 1 1 370.522 3.304 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000471455313 502033444 /nfs/dbraw/zinc/03/34/44/502033444.db2.gz OBWLSWADBMQCCM-ZWKOTPCHSA-N 1 1 365.477 3.352 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCc4scnc43)C2=O)cc1 ZINC000599044146 506291255 /nfs/dbraw/zinc/29/12/55/506291255.db2.gz WQLXMDWIUHFHHT-JKSUJKDBSA-N 1 1 352.463 3.177 20 30 FGEDMO Cc1c(C#N)cccc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461443205 502116546 /nfs/dbraw/zinc/11/65/46/502116546.db2.gz GRSBVHOFCKQTFS-SFTDATJTSA-N 1 1 359.473 3.461 20 30 FGEDMO N#Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000461461107 502123787 /nfs/dbraw/zinc/12/37/87/502123787.db2.gz RBXZBHWLBXJFLH-KRWDZBQOSA-N 1 1 373.416 3.123 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C(C)(C)C)s3)CC2)c1C#N ZINC000471809845 502141920 /nfs/dbraw/zinc/14/19/20/502141920.db2.gz LYYJZHBNUSNXDF-UHFFFAOYSA-N 1 1 357.527 3.281 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+](Cc3ccc(CC(C)C)cc3)CC2)c1C#N ZINC000471808136 502142194 /nfs/dbraw/zinc/14/21/94/502142194.db2.gz FUTNNBPJRLCEDD-UHFFFAOYSA-N 1 1 351.498 3.121 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c(F)c1 ZINC000479042795 502144730 /nfs/dbraw/zinc/14/47/30/502144730.db2.gz UXPIEAKWQAPTDC-QGZVFWFLSA-N 1 1 361.779 3.385 20 30 FGEDMO COc1cccc([C@H]2[C@H](Nc3nc(C#N)c(Cl)s3)CC[N@H+]2C2CC2)c1 ZINC000596185949 506299068 /nfs/dbraw/zinc/29/90/68/506299068.db2.gz HLYCMNWRKXCSFD-ZBFHGGJFSA-N 1 1 374.897 3.489 20 30 FGEDMO CC(C)[C@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC[N@H+]1C ZINC000479316942 502223124 /nfs/dbraw/zinc/22/31/24/502223124.db2.gz LNKJXSDRQYCTBZ-HXUWFJFHSA-N 1 1 351.498 3.260 20 30 FGEDMO Cc1nc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c(Cl)cc1C#N ZINC000461956760 502251462 /nfs/dbraw/zinc/25/14/62/502251462.db2.gz LEHMMUXFVHGGHK-QFBILLFUSA-N 1 1 370.884 3.210 20 30 FGEDMO Cc1nc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c(Cl)cc1C#N ZINC000461957567 502252732 /nfs/dbraw/zinc/25/27/32/502252732.db2.gz MVHDIDDWIPNSCC-KBXCAEBGSA-N 1 1 372.904 3.168 20 30 FGEDMO COc1ccc(OC)c(CN2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000486796012 502265233 /nfs/dbraw/zinc/26/52/33/502265233.db2.gz ACXAAQGLSSPHRP-UHFFFAOYSA-N 1 1 365.477 3.202 20 30 FGEDMO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(C#N)c1 ZINC000462019128 502276422 /nfs/dbraw/zinc/27/64/22/502276422.db2.gz AIGKIWQSGCUWSU-WIYYLYMNSA-N 1 1 361.489 3.343 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3nccn3-c3ccccc3)CC2)cc1 ZINC000483172855 502302231 /nfs/dbraw/zinc/30/22/31/502302231.db2.gz YYHVOHDGESUFBA-UHFFFAOYSA-N 1 1 357.461 3.062 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000472308874 502308778 /nfs/dbraw/zinc/30/87/78/502308778.db2.gz BDQVSOAHWHHQIG-LPHOPBHVSA-N 1 1 350.422 3.134 20 30 FGEDMO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000483273410 502335344 /nfs/dbraw/zinc/33/53/44/502335344.db2.gz YMGLCGDAPLLRAQ-VGOFRKELSA-N 1 1 365.525 3.333 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C#N)n(C)c1 ZINC000483273410 502335348 /nfs/dbraw/zinc/33/53/48/502335348.db2.gz YMGLCGDAPLLRAQ-VGOFRKELSA-N 1 1 365.525 3.333 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C#N)n(C)c1 ZINC000483273410 502335356 /nfs/dbraw/zinc/33/53/56/502335356.db2.gz YMGLCGDAPLLRAQ-VGOFRKELSA-N 1 1 365.525 3.333 20 30 FGEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)C(C)C ZINC000476026702 502362182 /nfs/dbraw/zinc/36/21/82/502362182.db2.gz CGOJLBNNDCGDJB-PXNSSMCTSA-N 1 1 372.557 3.453 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC000476067207 502375372 /nfs/dbraw/zinc/37/53/72/502375372.db2.gz VVCSCJFFTAPDNI-JBACZVJFSA-N 1 1 371.525 3.327 20 30 FGEDMO CC#CCCNC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000483429945 502388767 /nfs/dbraw/zinc/38/87/67/502388767.db2.gz HSBHTHLFXZXXME-YLJYHZDGSA-N 1 1 356.514 3.045 20 30 FGEDMO CC#CCCNC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000483429945 502388769 /nfs/dbraw/zinc/38/87/69/502388769.db2.gz HSBHTHLFXZXXME-YLJYHZDGSA-N 1 1 356.514 3.045 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000483517649 502418373 /nfs/dbraw/zinc/41/83/73/502418373.db2.gz UKVSCUFVZNCWRR-AWEZNQCLSA-N 1 1 365.424 3.307 20 30 FGEDMO C[C@H](CCC#N)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000472772296 502436785 /nfs/dbraw/zinc/43/67/85/502436785.db2.gz UMDTXQWGHXLNDN-CQSZACIVSA-N 1 1 359.861 3.200 20 30 FGEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000476294357 502446341 /nfs/dbraw/zinc/44/63/41/502446341.db2.gz GOSWRYWSJJAMDE-IBGZPJMESA-N 1 1 369.509 3.387 20 30 FGEDMO N#Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000483812002 502499302 /nfs/dbraw/zinc/49/93/02/502499302.db2.gz BAOWOLKDNZRRDG-MRXNPFEDSA-N 1 1 361.405 3.047 20 30 FGEDMO Cc1cc(N2CC[C@H](C(F)F)C2)c(C#N)c(N2CC[C@@H](C(F)F)C2)[nH+]1 ZINC000596219810 506317857 /nfs/dbraw/zinc/31/78/57/506317857.db2.gz GRTUOPVNTWTXHT-NWDGAFQWSA-N 1 1 356.367 3.445 20 30 FGEDMO C=CC[C@@H](CC)NC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000466376364 502552085 /nfs/dbraw/zinc/55/20/85/502552085.db2.gz HETMMCFNLCZMEB-ZIFCJYIRSA-N 1 1 351.535 3.262 20 30 FGEDMO CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000484092387 502567711 /nfs/dbraw/zinc/56/77/11/502567711.db2.gz CYAWASARPLVUBQ-SFHVURJKSA-N 1 1 371.481 3.329 20 30 FGEDMO N#CCc1ccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cc1 ZINC000469852465 502568136 /nfs/dbraw/zinc/56/81/36/502568136.db2.gz LAZKQRNIXKVYLD-FQEVSTJZSA-N 1 1 365.502 3.100 20 30 FGEDMO N#CCc1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000469852465 502568140 /nfs/dbraw/zinc/56/81/40/502568140.db2.gz LAZKQRNIXKVYLD-FQEVSTJZSA-N 1 1 365.502 3.100 20 30 FGEDMO C=C(C)[C@@H](CC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)OCC ZINC000469857495 502570731 /nfs/dbraw/zinc/57/07/31/502570731.db2.gz ZEKNCUPNIFWNLU-RTBURBONSA-N 1 1 362.539 3.092 20 30 FGEDMO CC(C)[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1C ZINC000487947351 502574491 /nfs/dbraw/zinc/57/44/91/502574491.db2.gz LHCPARCQCOECOU-KRWDZBQOSA-N 1 1 374.554 3.099 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470028778 502635051 /nfs/dbraw/zinc/63/50/51/502635051.db2.gz KXPOJIGSSRKPGL-AWEZNQCLSA-N 1 1 370.280 3.209 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470028778 502635052 /nfs/dbraw/zinc/63/50/52/502635052.db2.gz KXPOJIGSSRKPGL-AWEZNQCLSA-N 1 1 370.280 3.209 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H](C)C2)cc1 ZINC000488197212 502654559 /nfs/dbraw/zinc/65/45/59/502654559.db2.gz HYNHVRFTVJMZMY-MRXNPFEDSA-N 1 1 361.511 3.017 20 30 FGEDMO CCC1CCC([N@@H+](CCO)CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000488202389 502656264 /nfs/dbraw/zinc/65/62/64/502656264.db2.gz OAWLQAWZWHBUAR-UHFFFAOYSA-N 1 1 363.527 3.438 20 30 FGEDMO C=CC[N@@H+](CCOC)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000484581724 502675439 /nfs/dbraw/zinc/67/54/39/502675439.db2.gz GWUXORPIJMMPGN-KRWDZBQOSA-N 1 1 370.415 3.331 20 30 FGEDMO C=CC[N@H+](CCOC)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000484581724 502675444 /nfs/dbraw/zinc/67/54/44/502675444.db2.gz GWUXORPIJMMPGN-KRWDZBQOSA-N 1 1 370.415 3.331 20 30 FGEDMO C[C@H](Nc1nc2ccccc2nc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000484916602 502776189 /nfs/dbraw/zinc/77/61/89/502776189.db2.gz LJNDMJBQNQJCLV-INIZCTEOSA-N 1 1 372.476 3.426 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)c1C ZINC000602874412 506334078 /nfs/dbraw/zinc/33/40/78/506334078.db2.gz PCBQQTRONQMOFI-FQEVSTJZSA-N 1 1 370.541 3.212 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H](COC)C2)cc1 ZINC000467119035 502792640 /nfs/dbraw/zinc/79/26/40/502792640.db2.gz QFPPZTMOXVBQAV-GOSISDBHSA-N 1 1 373.497 3.080 20 30 FGEDMO C[N@@H+](CCc1cccc(Br)c1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000463426804 502796127 /nfs/dbraw/zinc/79/61/27/502796127.db2.gz QUSRHUIKCMMMRG-KRWDZBQOSA-N 1 1 372.266 3.022 20 30 FGEDMO N#Cc1cnc2c(F)ccc(F)c2c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596269327 506335120 /nfs/dbraw/zinc/33/51/20/506335120.db2.gz RHDGLLBKFKZOSZ-UHFFFAOYSA-N 1 1 372.419 3.076 20 30 FGEDMO COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CC=CCC1 ZINC000485095079 502814845 /nfs/dbraw/zinc/81/48/45/502814845.db2.gz MQDBUIYVGAMLNB-HNNXBMFYSA-N 1 1 361.873 3.455 20 30 FGEDMO N#Cc1cc2cccnc2nc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000596280101 506338233 /nfs/dbraw/zinc/33/82/33/506338233.db2.gz AROWTONXSGMSBF-AZUAARDMSA-N 1 1 355.445 3.212 20 30 FGEDMO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000513254620 502889273 /nfs/dbraw/zinc/88/92/73/502889273.db2.gz AUWIDEILFCYIIK-OXQOHEQNSA-N 1 1 354.475 3.415 20 30 FGEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000513254620 502889275 /nfs/dbraw/zinc/88/92/75/502889275.db2.gz AUWIDEILFCYIIK-OXQOHEQNSA-N 1 1 354.475 3.415 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](C(=O)NCCCC)C2)c1C ZINC000497406741 502951608 /nfs/dbraw/zinc/95/16/08/502951608.db2.gz HWSOODPPEGROTB-SFHVURJKSA-N 1 1 359.514 3.102 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCCCC)C2)c1C ZINC000497406741 502951610 /nfs/dbraw/zinc/95/16/10/502951610.db2.gz HWSOODPPEGROTB-SFHVURJKSA-N 1 1 359.514 3.102 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602902159 506343466 /nfs/dbraw/zinc/34/34/66/506343466.db2.gz ADNDOKUPBVKOFZ-CQSZACIVSA-N 1 1 352.413 3.299 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 ZINC000513547584 502963044 /nfs/dbraw/zinc/96/30/44/502963044.db2.gz DFOZQZDOYBGYEJ-UHFFFAOYSA-N 1 1 365.481 3.463 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C#N ZINC000505701135 502969279 /nfs/dbraw/zinc/96/92/79/502969279.db2.gz MYPPALGOZKBBFB-HXUWFJFHSA-N 1 1 370.522 3.110 20 30 FGEDMO CC[N@H+](CC(=O)Nc1cccc(C(=O)OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593932 502995733 /nfs/dbraw/zinc/99/57/33/502995733.db2.gz MXOIOBSBRRDPMV-OAHLLOKOSA-N 1 1 365.433 3.366 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593932 502995736 /nfs/dbraw/zinc/99/57/36/502995736.db2.gz MXOIOBSBRRDPMV-OAHLLOKOSA-N 1 1 365.433 3.366 20 30 FGEDMO N#Cc1ccccc1OCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000497605735 502998423 /nfs/dbraw/zinc/99/84/23/502998423.db2.gz PJYVDFPFVMCZPU-UHFFFAOYSA-N 1 1 355.869 3.408 20 30 FGEDMO C=C(CNC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C)c1ccccc1 ZINC000497615937 503000884 /nfs/dbraw/zinc/00/08/84/503000884.db2.gz ALDINFIWWYILGV-AZUAARDMSA-N 1 1 359.514 3.136 20 30 FGEDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000510169989 503063599 /nfs/dbraw/zinc/06/35/99/503063599.db2.gz OJWJKCLZEXKDAS-CALCHBBNSA-N 1 1 358.486 3.139 20 30 FGEDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000510169989 503063603 /nfs/dbraw/zinc/06/36/03/503063603.db2.gz OJWJKCLZEXKDAS-CALCHBBNSA-N 1 1 358.486 3.139 20 30 FGEDMO C[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@@H]1C ZINC000501772345 503075978 /nfs/dbraw/zinc/07/59/78/503075978.db2.gz FSORBEYEZKWPCD-GJZGRUSLSA-N 1 1 352.400 3.151 20 30 FGEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000490103498 503109008 /nfs/dbraw/zinc/10/90/08/503109008.db2.gz SYOUQQSFARHKRR-IOMROCGXSA-N 1 1 350.462 3.484 20 30 FGEDMO CC1(C)CCc2cc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)ccc2O1 ZINC000506417845 503111488 /nfs/dbraw/zinc/11/14/88/503111488.db2.gz UJMVAPROGPTWHV-UHFFFAOYSA-N 1 1 362.477 3.379 20 30 FGEDMO N#CCSCCC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510607540 503154455 /nfs/dbraw/zinc/15/44/55/503154455.db2.gz HBVHXGHYYSROOC-IBGZPJMESA-N 1 1 359.539 3.237 20 30 FGEDMO C[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000502274801 503172494 /nfs/dbraw/zinc/17/24/94/503172494.db2.gz HQCUKENWXGNQOH-QZTJIDSGSA-N 1 1 366.509 3.477 20 30 FGEDMO C[C@@H]1[C@H](NC(=O)NCc2cc(C#N)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000498385360 503175702 /nfs/dbraw/zinc/17/57/02/503175702.db2.gz MQESOFCQSVUTBT-FOIQADDNSA-N 1 1 366.440 3.160 20 30 FGEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000514764376 503187839 /nfs/dbraw/zinc/18/78/39/503187839.db2.gz OLVWXZKFVQGYEV-LSDHHAIUSA-N 1 1 370.371 3.120 20 30 FGEDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000514764376 503187842 /nfs/dbraw/zinc/18/78/42/503187842.db2.gz OLVWXZKFVQGYEV-LSDHHAIUSA-N 1 1 370.371 3.120 20 30 FGEDMO CCOC(=O)c1c[nH+]c2cc3c(cc2c1N1CCC[C@@H](CC#N)C1)OCO3 ZINC000596330635 506359492 /nfs/dbraw/zinc/35/94/92/506359492.db2.gz VBPKJFZNUWLMNX-ZDUSSCGKSA-N 1 1 367.405 3.270 20 30 FGEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000593050234 506359565 /nfs/dbraw/zinc/35/95/65/506359565.db2.gz ZRXVXQZOTGFHLM-RHSMWYFYSA-N 1 1 357.454 3.081 20 30 FGEDMO CCCCCC(=O)NC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000498690770 503239626 /nfs/dbraw/zinc/23/96/26/503239626.db2.gz YRFNFXCVEIZXPK-UHFFFAOYSA-N 1 1 352.482 3.472 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000507272168 503265375 /nfs/dbraw/zinc/26/53/75/503265375.db2.gz KIAHRFGTWRLVFK-CYBMUJFWSA-N 1 1 369.918 3.000 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000511193428 503277081 /nfs/dbraw/zinc/27/70/81/503277081.db2.gz NFIVQYDWUJFLNK-SFHVURJKSA-N 1 1 356.514 3.458 20 30 FGEDMO C=CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCc1ccco1 ZINC000491393427 503303558 /nfs/dbraw/zinc/30/35/58/503303558.db2.gz DGNPNRKOABXZFF-UHFFFAOYSA-N 1 1 371.393 3.217 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000491410855 503304798 /nfs/dbraw/zinc/30/47/98/503304798.db2.gz SEERWNSWYBLAPT-UHFFFAOYSA-N 1 1 354.366 3.469 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000491410855 503304801 /nfs/dbraw/zinc/30/48/01/503304801.db2.gz SEERWNSWYBLAPT-UHFFFAOYSA-N 1 1 354.366 3.469 20 30 FGEDMO C=CC[N@H+](CC(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000507716630 503354031 /nfs/dbraw/zinc/35/40/31/503354031.db2.gz HUZZVPHDBIIVNI-HXUWFJFHSA-N 1 1 355.503 3.494 20 30 FGEDMO C=CC[N@@H+](CC(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000507716630 503354037 /nfs/dbraw/zinc/35/40/37/503354037.db2.gz HUZZVPHDBIIVNI-HXUWFJFHSA-N 1 1 355.503 3.494 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)C1=O ZINC000499521816 503423872 /nfs/dbraw/zinc/42/38/72/503423872.db2.gz IEIBIYJWOOHQLR-QGZVFWFLSA-N 1 1 356.466 3.337 20 30 FGEDMO CCC[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CC[N@H+]1CCOC ZINC000499653392 503450291 /nfs/dbraw/zinc/45/02/91/503450291.db2.gz AFEBMTNYBYTTCM-INIZCTEOSA-N 1 1 374.435 3.322 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@H]2C(=O)N(CC)CC)ccc1OC ZINC000512082897 503453112 /nfs/dbraw/zinc/45/31/12/503453112.db2.gz MCRLCHCXEULLSC-SFHVURJKSA-N 1 1 360.498 3.483 20 30 FGEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000611954265 506373570 /nfs/dbraw/zinc/37/35/70/506373570.db2.gz JQAJQBQSYLNKIY-UHFFFAOYSA-N 1 1 359.433 3.294 20 30 FGEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508489949 503504317 /nfs/dbraw/zinc/50/43/17/503504317.db2.gz ADUJMPUBBDPPKT-SFHVURJKSA-N 1 1 364.497 3.171 20 30 FGEDMO C=CCn1c(C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508491029 503504407 /nfs/dbraw/zinc/50/44/07/503504407.db2.gz SHSGNNLVENKPJP-UXHICEINSA-N 1 1 351.498 3.263 20 30 FGEDMO C=CCCc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000504070493 503517751 /nfs/dbraw/zinc/51/77/51/503517751.db2.gz QXTJSRLWXOMRQR-UHFFFAOYSA-N 1 1 369.509 3.221 20 30 FGEDMO N#Cc1ccc(OCC[NH+]2CCCCC2)c(I)c1 ZINC000500037351 503538820 /nfs/dbraw/zinc/53/88/20/503538820.db2.gz KGVBUXRPJKIIPB-UHFFFAOYSA-N 1 1 356.207 3.028 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1F ZINC000512415678 503542932 /nfs/dbraw/zinc/54/29/32/503542932.db2.gz NYVGSCMCLFDZFJ-UHFFFAOYSA-N 1 1 352.413 3.483 20 30 FGEDMO C=CCn1c(-c2ccccc2F)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508698498 503545855 /nfs/dbraw/zinc/54/58/55/503545855.db2.gz MKGUWFHZUHLCOF-MRXNPFEDSA-N 1 1 357.477 3.438 20 30 FGEDMO N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)ccc1OCC(F)(F)F ZINC000516614850 503550675 /nfs/dbraw/zinc/55/06/75/503550675.db2.gz YMZOFPOIAHMFEE-CQSZACIVSA-N 1 1 353.344 3.065 20 30 FGEDMO N#Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)ccc1OCC(F)(F)F ZINC000516614850 503550678 /nfs/dbraw/zinc/55/06/78/503550678.db2.gz YMZOFPOIAHMFEE-CQSZACIVSA-N 1 1 353.344 3.065 20 30 FGEDMO C[N@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC12CCCCC2 ZINC000516659993 503563096 /nfs/dbraw/zinc/56/30/96/503563096.db2.gz GKQDXWXBWQTVOF-FQEVSTJZSA-N 1 1 366.509 3.004 20 30 FGEDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000500232511 503584239 /nfs/dbraw/zinc/58/42/39/503584239.db2.gz WOZBNIOSNSGADT-NSHDSACASA-N 1 1 356.348 3.015 20 30 FGEDMO C[N@@H+](CCOc1cccc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000500237985 503585646 /nfs/dbraw/zinc/58/56/46/503585646.db2.gz SFSIGWZATIRAQW-UHFFFAOYSA-N 1 1 363.461 3.174 20 30 FGEDMO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)C1=O ZINC000512661248 503606115 /nfs/dbraw/zinc/60/61/15/503606115.db2.gz QNUPSOHDRTYCBY-SUMWQHHRSA-N 1 1 353.397 3.162 20 30 FGEDMO CC[C@H](C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000599237834 506382597 /nfs/dbraw/zinc/38/25/97/506382597.db2.gz MFFRVSHXKVWVEW-KZNAEPCWSA-N 1 1 353.491 3.382 20 30 FGEDMO C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)C1 ZINC000512795919 503633327 /nfs/dbraw/zinc/63/33/27/503633327.db2.gz BUDREDXOYAXUTC-HOTGVXAUSA-N 1 1 373.472 3.045 20 30 FGEDMO CC1CCC(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000512816694 503638981 /nfs/dbraw/zinc/63/89/81/503638981.db2.gz IMOOFWABLZZWMN-UHFFFAOYSA-N 1 1 373.472 3.235 20 30 FGEDMO C[S@@](=O)C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000516996475 503640161 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CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000533002046 503693852 /nfs/dbraw/zinc/69/38/52/503693852.db2.gz VSDSTTFQGZOXRU-QGZVFWFLSA-N 1 1 368.399 3.270 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)CCC1 ZINC000527135501 503694066 /nfs/dbraw/zinc/69/40/66/503694066.db2.gz AMEKNFGSUQVRKE-UHFFFAOYSA-N 1 1 365.399 3.447 20 30 FGEDMO Cc1oc(C#N)cc1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000529804734 503708384 /nfs/dbraw/zinc/70/83/84/503708384.db2.gz PXDUKXWUZQPRQH-FQEVSTJZSA-N 1 1 351.450 3.442 20 30 FGEDMO C=CC[C@@H](CO)CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000540386938 503755066 /nfs/dbraw/zinc/75/50/66/503755066.db2.gz YSDAFFWAJSNTGU-GOSISDBHSA-N 1 1 373.541 3.435 20 30 FGEDMO N#C[C@H]1CSCCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000540433477 503770556 /nfs/dbraw/zinc/77/05/56/503770556.db2.gz TZOFYFRGQLFGEB-FQEVSTJZSA-N 1 1 365.502 3.156 20 30 FGEDMO CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000517622067 503787661 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373.522 3.471 20 30 FGEDMO COC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(OC)c1 ZINC000595685020 507625420 /nfs/dbraw/zinc/62/54/20/507625420.db2.gz SLKKBSNIZIBCQB-GOSISDBHSA-N 1 1 373.840 3.136 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@]3(CCCOC3)C2)c1C#N ZINC000611348300 507634022 /nfs/dbraw/zinc/63/40/22/507634022.db2.gz ULTPIYWDYNRFEK-NRFANRHFSA-N 1 1 350.466 3.445 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1C#N ZINC000611348300 507634027 /nfs/dbraw/zinc/63/40/27/507634027.db2.gz ULTPIYWDYNRFEK-NRFANRHFSA-N 1 1 350.466 3.445 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1Cl ZINC000611351030 507635746 /nfs/dbraw/zinc/63/57/46/507635746.db2.gz YOXWATRALDUTRA-HUUCEWRRSA-N 1 1 361.873 3.289 20 30 FGEDMO Cc1cc(C)c(C#N)c(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000598856878 507641628 /nfs/dbraw/zinc/64/16/28/507641628.db2.gz GMNPPNDMGUJKIS-ZIAGYGMSSA-N 1 1 368.403 3.417 20 30 FGEDMO CC(C)Oc1ncccc1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438136 507682829 /nfs/dbraw/zinc/68/28/29/507682829.db2.gz UKKBSMXKIJJXMK-UHFFFAOYSA-N 1 1 364.493 3.495 20 30 FGEDMO CC(C)[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000595815476 507697213 /nfs/dbraw/zinc/69/72/13/507697213.db2.gz BQHNQQOMIRJBDG-FQEVSTJZSA-N 1 1 354.498 3.210 20 30 FGEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000595825991 507703500 /nfs/dbraw/zinc/70/35/00/507703500.db2.gz IRBIYCDIDRAMJY-OAQYLSRUSA-N 1 1 362.477 3.144 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc4nccnc4c3)CC2)cc1 ZINC000602431439 507709011 /nfs/dbraw/zinc/70/90/11/507709011.db2.gz RLFWJSDFZXHOLC-UHFFFAOYSA-N 1 1 357.461 3.209 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc4nccnc4c3)CC2)cc1 ZINC000602431439 507709017 /nfs/dbraw/zinc/70/90/17/507709017.db2.gz RLFWJSDFZXHOLC-UHFFFAOYSA-N 1 1 357.461 3.209 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc4nccnc4c3)CC2)cc1 ZINC000602431439 507709021 /nfs/dbraw/zinc/70/90/21/507709021.db2.gz RLFWJSDFZXHOLC-UHFFFAOYSA-N 1 1 357.461 3.209 20 30 FGEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000602443965 507713017 /nfs/dbraw/zinc/71/30/17/507713017.db2.gz CZSWFSYQUCUKCR-UHFFFAOYSA-N 1 1 359.433 3.294 20 30 FGEDMO COc1ccc(CCC(=O)N2CCC[N@@H+](C[C@@H](C)CCC#N)CC2)cc1 ZINC000602453186 507714234 /nfs/dbraw/zinc/71/42/34/507714234.db2.gz GLJAMTRWHLPSMW-SFHVURJKSA-N 1 1 357.498 3.102 20 30 FGEDMO CC[C@@H]1CN(Cc2cccc(C#N)n2)[C@@H](CC)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602495849 507727661 /nfs/dbraw/zinc/72/76/61/507727661.db2.gz XZKRLBDEPMNEQX-SZPZYZBQSA-N 1 1 374.492 3.095 20 30 FGEDMO CC[C@@H]1CN(Cc2cccc(C#N)n2)[C@@H](CC)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602495849 507727663 /nfs/dbraw/zinc/72/76/63/507727663.db2.gz XZKRLBDEPMNEQX-SZPZYZBQSA-N 1 1 374.492 3.095 20 30 FGEDMO CC[C@@H]1C[N@H+](Cc2cccc(C#N)n2)[C@@H](CC)CN1Cc1cccc(C#N)n1 ZINC000602495849 507727671 /nfs/dbraw/zinc/72/76/71/507727671.db2.gz XZKRLBDEPMNEQX-SZPZYZBQSA-N 1 1 374.492 3.095 20 30 FGEDMO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H](CC)CN1Cc1cccc(C#N)n1 ZINC000602495849 507727673 /nfs/dbraw/zinc/72/76/73/507727673.db2.gz XZKRLBDEPMNEQX-SZPZYZBQSA-N 1 1 374.492 3.095 20 30 FGEDMO CN(C)c1cccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611553205 507736055 /nfs/dbraw/zinc/73/60/55/507736055.db2.gz TWZYDXCCQGJUQE-NRFANRHFSA-N 1 1 352.457 3.274 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@](C)(C(F)F)O1 ZINC000595914306 507740834 /nfs/dbraw/zinc/74/08/34/507740834.db2.gz GWRBGFMMGQRZRX-APPDUMDISA-N 1 1 371.815 3.285 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@](C)(C(F)F)O1 ZINC000595914306 507740841 /nfs/dbraw/zinc/74/08/41/507740841.db2.gz GWRBGFMMGQRZRX-APPDUMDISA-N 1 1 371.815 3.285 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(N3C[C@H]([NH+]4CCOCC4)C[C@H]3C)c2c1 ZINC000588070245 507752046 /nfs/dbraw/zinc/75/20/46/507752046.db2.gz WJDLPGSMTVAVAM-GDBMZVCRSA-N 1 1 370.884 3.368 20 30 FGEDMO C=CC[N@H+](Cc1cccc(NC(C)=O)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735426746 598248687 /nfs/dbraw/zinc/24/86/87/598248687.db2.gz VLYLWJFEEYPDGB-UHFFFAOYSA-N 1 1 362.437 3.013 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821614334 606166139 /nfs/dbraw/zinc/16/61/39/606166139.db2.gz AREMOGYXGWVDAA-UHFFFAOYSA-N 1 1 363.469 3.423 20 30 FGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826380847 608291929 /nfs/dbraw/zinc/29/19/29/608291929.db2.gz NYYWXLRSCVDYOD-MRXNPFEDSA-N 1 1 357.421 3.067 20 30 FGEDMO CC(C)C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(C#N)cc1 ZINC000824261145 608569296 /nfs/dbraw/zinc/56/92/96/608569296.db2.gz BUDIVXNFEKDBKJ-UHFFFAOYSA-N 1 1 352.467 3.458 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OCC)cc1O ZINC000823914437 608632597 /nfs/dbraw/zinc/63/25/97/608632597.db2.gz IPTUAHRCWUSXBY-UHFFFAOYSA-N 1 1 365.437 3.159 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000045378686 695820756 /nfs/dbraw/zinc/82/07/56/695820756.db2.gz YOPGCNLFUHUBGU-HOTGVXAUSA-N 1 1 365.543 3.334 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089125644 700382809 /nfs/dbraw/zinc/38/28/09/700382809.db2.gz ASQZKZQOUXEBHY-ROUUACIJSA-N 1 1 359.495 3.152 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089125644 700382810 /nfs/dbraw/zinc/38/28/10/700382810.db2.gz ASQZKZQOUXEBHY-ROUUACIJSA-N 1 1 359.495 3.152 20 30 FGEDMO CC(C)CC(N)=[NH+]OCc1nc(-c2cccc(Br)c2)no1 ZINC000112969272 700566693 /nfs/dbraw/zinc/56/66/93/700566693.db2.gz QQEPRCMVYZXOKH-UHFFFAOYSA-N 1 1 353.220 3.334 20 30 FGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)cc1 ZINC000121081683 700665418 /nfs/dbraw/zinc/66/54/18/700665418.db2.gz UXSFXLFTLJQHST-FUHWJXTLSA-N 1 1 365.949 3.352 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000170772830 705361221 /nfs/dbraw/zinc/36/12/21/705361221.db2.gz BOILXHPDXMTSOR-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000186597778 712723606 /nfs/dbraw/zinc/72/36/06/712723606.db2.gz ALZXJKULQHHOBE-ZWKOTPCHSA-N 1 1 365.949 3.495 20 30 FGEDMO CN1CC[C@@H](CNC(=[NH2+])NCC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261926018 713715791 /nfs/dbraw/zinc/71/57/91/713715791.db2.gz AZTUXOWQZZOLOR-WMLDXEAASA-N 1 1 352.885 3.176 20 30 FGEDMO Cc1ccc([C@H](CNC(=[NH2+])NCCc2cccs2)N2CCCC2)cc1 ZINC000303881874 713789507 /nfs/dbraw/zinc/78/95/07/713789507.db2.gz LDXQLYLQUFZUDS-IBGZPJMESA-N 1 1 356.539 3.340 20 30 FGEDMO Cc1nc([C@H](C)NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000329153260 713827509 /nfs/dbraw/zinc/82/75/09/713827509.db2.gz ABQFNYBVIWIWFH-KNCOVGOOSA-N 1 1 366.531 3.000 20 30 FGEDMO Cc1nc([C@H](C)NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000329153260 713827511 /nfs/dbraw/zinc/82/75/11/713827511.db2.gz ABQFNYBVIWIWFH-KNCOVGOOSA-N 1 1 366.531 3.000 20 30 FGEDMO CC1(C)CCC[N@@H+](CCNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)C1 ZINC000329922759 713833371 /nfs/dbraw/zinc/83/33/71/713833371.db2.gz UCKRWFSZDFNDSP-HNNXBMFYSA-N 1 1 363.527 3.431 20 30 FGEDMO C#CCOc1ccc(Br)cc1CNC[C@@H](C)[NH+]1CCCCC1 ZINC000386957926 713985794 /nfs/dbraw/zinc/98/57/94/713985794.db2.gz VIGFTTZZRPESTN-OAHLLOKOSA-N 1 1 365.315 3.425 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000525615985 714362782 /nfs/dbraw/zinc/36/27/82/714362782.db2.gz SMHIMEIJNMLVCS-JSGCOSHPSA-N 1 1 356.388 3.483 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(CNc3snc(C)c3C#N)cc2)CC1 ZINC000570706104 714444291 /nfs/dbraw/zinc/44/42/91/714444291.db2.gz BLASMVKVGIFYGE-UHFFFAOYSA-N 1 1 355.511 3.073 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC23CCOCC3)sc2c1CCCC2 ZINC000618318274 714734107 /nfs/dbraw/zinc/73/41/07/714734107.db2.gz NGCZIKJLQQRJST-UHFFFAOYSA-N 1 1 359.495 3.082 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000779154121 724396006 /nfs/dbraw/zinc/39/60/06/724396006.db2.gz PEKPXSUSXZNWTL-UHFFFAOYSA-N 1 1 362.901 3.431 20 30 FGEDMO CC(C)Sc1cc(Br)ccc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779799346 724427633 /nfs/dbraw/zinc/42/76/33/724427633.db2.gz KETJCSMOMRDXLX-JTQLQIEISA-N 1 1 355.305 3.221 20 30 FGEDMO CC(=O)N(c1nc(C=NNc2cc[nH+]cc2)cs1)c1ccc(F)cc1 ZINC000779807206 724428127 /nfs/dbraw/zinc/42/81/27/724428127.db2.gz PBJTZBRDWNBMQE-UHFFFAOYSA-N 1 1 355.398 3.230 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+](CCOC)[C@@H]2CCOC2)cc1OC ZINC000628254102 716130909 /nfs/dbraw/zinc/13/09/09/716130909.db2.gz MQOVHGPLZDZZNT-OAHLLOKOSA-N 1 1 355.862 3.151 20 30 FGEDMO N#Cc1cc(Cl)cc(Br)c1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804396170 724511682 /nfs/dbraw/zinc/51/16/82/724511682.db2.gz CWPLAAUUHMXSLJ-CHWSQXEVSA-N 1 1 370.678 3.249 20 30 FGEDMO N#Cc1ncc(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164621131 719065453 /nfs/dbraw/zinc/06/54/53/719065453.db2.gz HJBDFJQDLXFCOJ-NVXWUHKLSA-N 1 1 353.857 3.102 20 30 FGEDMO Cc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(C#N)c(C)c1Cl ZINC001164722113 720337288 /nfs/dbraw/zinc/33/72/88/720337288.db2.gz FBKLRLQBGQIFQO-MSOLQXFVSA-N 1 1 367.884 3.472 20 30 FGEDMO Cc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(C#N)c(C)c1Cl ZINC001164722121 720337330 /nfs/dbraw/zinc/33/73/30/720337330.db2.gz FBKLRLQBGQIFQO-ROUUACIJSA-N 1 1 367.884 3.472 20 30 FGEDMO N#Cc1c2c(cnc1N1CC[C@@H]3[C@H]1CC[N@H+]3Cc1cccnc1)CCCC2 ZINC001164724811 720480378 /nfs/dbraw/zinc/48/03/78/720480378.db2.gz HWCGVUZXCRWWHJ-NHCUHLMSSA-N 1 1 359.477 3.080 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(C#N)cc1Cl)[C@H]2C ZINC001164853527 720928479 /nfs/dbraw/zinc/92/84/79/720928479.db2.gz BMWPLDIJKVJPND-ZDUSSCGKSA-N 1 1 358.877 3.225 20 30 FGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(N2CCOCC2)cc1Cl ZINC000783294396 724745478 /nfs/dbraw/zinc/74/54/78/724745478.db2.gz PQCXNWMJKSPLJM-CQSZACIVSA-N 1 1 356.857 3.294 20 30 FGEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164768755 721293700 /nfs/dbraw/zinc/29/37/00/721293700.db2.gz FQSKGULARLDVNB-UHFFFAOYSA-N 1 1 352.816 3.074 20 30 FGEDMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1C#N ZINC001165028207 721809254 /nfs/dbraw/zinc/80/92/54/721809254.db2.gz WRBHQIAOXHDNBF-IOMROCGXSA-N 1 1 361.493 3.394 20 30 FGEDMO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000679327315 722022976 /nfs/dbraw/zinc/02/29/76/722022976.db2.gz HLPIIJKHVIGUKI-MJGOQNOKSA-N 1 1 352.425 3.198 20 30 FGEDMO C=CCCOCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000679327315 722022979 /nfs/dbraw/zinc/02/29/79/722022979.db2.gz HLPIIJKHVIGUKI-MJGOQNOKSA-N 1 1 352.425 3.198 20 30 FGEDMO COc1ccnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164995820 722197276 /nfs/dbraw/zinc/19/72/76/722197276.db2.gz YGJDIHKGMDPIAH-NRFANRHFSA-N 1 1 366.440 3.346 20 30 FGEDMO O=C(NCC[NH2+]Cc1c(Cl)ccc(Cl)c1Cl)C1N=CC=CC1=O ZINC000733334722 722495893 /nfs/dbraw/zinc/49/58/93/722495893.db2.gz QDCNMEDLXGQCOT-PFONDFGASA-N 1 1 374.655 3.263 20 30 FGEDMO CC(C)[N@@H+](C)CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740051638 722534878 /nfs/dbraw/zinc/53/48/78/722534878.db2.gz USAQJCJFPBUSSU-UHFFFAOYSA-N 1 1 356.495 3.426 20 30 FGEDMO CCCCCCCC[N@H+]1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000740873506 722538852 /nfs/dbraw/zinc/53/88/52/722538852.db2.gz GWWMBLWPNYYJLQ-UHFFFAOYSA-N 1 1 371.547 3.348 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)c2ccccc2SCc2ccco2)CC1 ZINC000744366573 722576319 /nfs/dbraw/zinc/57/63/19/722576319.db2.gz UPXSAEZYKLIRAS-UHFFFAOYSA-N 1 1 354.475 3.353 20 30 FGEDMO C#CCNC(=O)C[NH2+][C@@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000749275963 722722807 /nfs/dbraw/zinc/72/28/07/722722807.db2.gz SMJVHTMGMUNWLP-IBGZPJMESA-N 1 1 360.429 3.115 20 30 FGEDMO C[C@@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[NH+]1CCSCC1 ZINC000750887103 722784570 /nfs/dbraw/zinc/78/45/70/722784570.db2.gz MCEDMFWZXYHHNL-AWEZNQCLSA-N 1 1 371.531 3.340 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000751902260 722833852 /nfs/dbraw/zinc/83/38/52/722833852.db2.gz QNRPNDFZEMYXGE-QRVBRYPASA-N 1 1 356.539 3.117 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000754475299 722939743 /nfs/dbraw/zinc/93/97/43/722939743.db2.gz QXXXKFZEBMHYMW-KGLIPLIRSA-N 1 1 353.249 3.031 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000754475299 722939744 /nfs/dbraw/zinc/93/97/44/722939744.db2.gz QXXXKFZEBMHYMW-KGLIPLIRSA-N 1 1 353.249 3.031 20 30 FGEDMO CC(C)c1[nH+]c(CN=Nc2ccccc2S(C)(=O)=O)c2ccccn21 ZINC000755726744 722956159 /nfs/dbraw/zinc/95/61/59/722956159.db2.gz PBLLVWYFELKAGS-UHFFFAOYSA-N 1 1 356.451 3.307 20 30 FGEDMO C=C(C)[C@@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)OCC ZINC000755816970 722957300 /nfs/dbraw/zinc/95/73/00/722957300.db2.gz XSPIZGNGDDKGAG-GOSISDBHSA-N 1 1 365.905 3.402 20 30 FGEDMO C=C(Br)CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000759246479 723001965 /nfs/dbraw/zinc/00/19/65/723001965.db2.gz KTQUEKQPCBPZHV-INIZCTEOSA-N 1 1 366.303 3.201 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)CC(C)(C)C#N ZINC000790008009 723093832 /nfs/dbraw/zinc/09/38/32/723093832.db2.gz WQQNMRXGXLOYOS-MRXNPFEDSA-N 1 1 363.527 3.030 20 30 FGEDMO COc1cccc(/C=N/C[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1O ZINC000760981930 723109975 /nfs/dbraw/zinc/10/99/75/723109975.db2.gz SAMKRSZVWMELSP-AGKWGAAGSA-N 1 1 356.491 3.437 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000761112297 723123416 /nfs/dbraw/zinc/12/34/16/723123416.db2.gz HQIXTVOVZBMOFR-HNNXBMFYSA-N 1 1 364.873 3.260 20 30 FGEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(Br)cc(C#N)c1 ZINC000790860883 723186815 /nfs/dbraw/zinc/18/68/15/723186815.db2.gz FBGDFHVICLPFEN-OAHLLOKOSA-N 1 1 351.244 3.238 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(Br)cc(C#N)c1 ZINC000790860883 723186819 /nfs/dbraw/zinc/18/68/19/723186819.db2.gz FBGDFHVICLPFEN-OAHLLOKOSA-N 1 1 351.244 3.238 20 30 FGEDMO C[NH+](C)Cc1cnc(/C=C2\S/C(=N/C3CCCCC3)NC2=O)s1 ZINC000794694816 723541415 /nfs/dbraw/zinc/54/14/15/723541415.db2.gz HSECKLUIOJRWOT-JYRVWZFOSA-N 1 1 350.513 3.097 20 30 FGEDMO C=C(Br)CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000766528478 723578823 /nfs/dbraw/zinc/57/88/23/723578823.db2.gz JEEMRQXRWXMYSK-LSDHHAIUSA-N 1 1 366.303 3.199 20 30 FGEDMO N#Cc1c2c(cn(C[N@H+]3CC[C@@H](c4ccc(Cl)cc4)C3)c1=O)CCC2 ZINC000766620253 723584004 /nfs/dbraw/zinc/58/40/04/723584004.db2.gz SFFBKIOUWNGYHW-OAHLLOKOSA-N 1 1 353.853 3.309 20 30 FGEDMO N#Cc1c2c(cn(C[N@@H+]3CC[C@@H](c4ccc(Cl)cc4)C3)c1=O)CCC2 ZINC000766620253 723584005 /nfs/dbraw/zinc/58/40/05/723584005.db2.gz SFFBKIOUWNGYHW-OAHLLOKOSA-N 1 1 353.853 3.309 20 30 FGEDMO C=C(Br)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000795625652 723603044 /nfs/dbraw/zinc/60/30/44/723603044.db2.gz NHIZAOXNWDICJG-AWEZNQCLSA-N 1 1 373.241 3.169 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000796339328 723633396 /nfs/dbraw/zinc/63/33/96/723633396.db2.gz VHQQSSRAVILDEI-GXTWGEPZSA-N 1 1 362.779 3.235 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000796339328 723633397 /nfs/dbraw/zinc/63/33/97/723633397.db2.gz VHQQSSRAVILDEI-GXTWGEPZSA-N 1 1 362.779 3.235 20 30 FGEDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000773704515 723815046 /nfs/dbraw/zinc/81/50/46/723815046.db2.gz XJSYOYBGZPTJLW-HUUCEWRRSA-N 1 1 354.479 3.297 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccccn3)C2)cc1Cl ZINC000799196035 723997587 /nfs/dbraw/zinc/99/75/87/723997587.db2.gz NPTHQTHKXPMTNG-OAHLLOKOSA-N 1 1 354.841 3.425 20 30 FGEDMO CC(=NNCCC[NH+]1CCOCC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000799490096 724034400 /nfs/dbraw/zinc/03/44/00/724034400.db2.gz PEYDUBOOFUYPJV-AWEZNQCLSA-N 1 1 374.312 3.449 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)[C@H]1CCCO1 ZINC000775791539 724061578 /nfs/dbraw/zinc/06/15/78/724061578.db2.gz VXIOHBBSAYJNGK-IAGOWNOFSA-N 1 1 372.266 3.177 20 30 FGEDMO CCCCCCCS(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000799819522 724100702 /nfs/dbraw/zinc/10/07/02/724100702.db2.gz LYVNBRKSRFJKKR-IBGZPJMESA-N 1 1 352.544 3.398 20 30 FGEDMO C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNC(=S)Nc1ccccn1 ZINC000776187222 724117089 /nfs/dbraw/zinc/11/70/89/724117089.db2.gz CVCLBUBUXUEJEF-HNNXBMFYSA-N 1 1 353.495 3.266 20 30 FGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC(=S)Nc1ccccn1 ZINC000776187222 724117091 /nfs/dbraw/zinc/11/70/91/724117091.db2.gz CVCLBUBUXUEJEF-HNNXBMFYSA-N 1 1 353.495 3.266 20 30 FGEDMO Clc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1Br ZINC000776188081 724117114 /nfs/dbraw/zinc/11/71/14/724117114.db2.gz VNCYQLUZEAKUCW-BETUJISGSA-N 1 1 355.667 3.296 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000801933195 724347735 /nfs/dbraw/zinc/34/77/35/724347735.db2.gz KQJBKHINJQZYDW-INIZCTEOSA-N 1 1 351.491 3.171 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785740689 724934520 /nfs/dbraw/zinc/93/45/20/724934520.db2.gz JNDAKIKJRITVCN-JYJNAYRXSA-N 1 1 364.511 3.067 20 30 FGEDMO C=CCSc1ccccc1NC(=O)COC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785746604 724934949 /nfs/dbraw/zinc/93/49/49/724934949.db2.gz YCOIBNWTCDOBRW-GJZGRUSLSA-N 1 1 362.495 3.319 20 30 FGEDMO C=CCCCCCCNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000807569510 725163504 /nfs/dbraw/zinc/16/35/04/725163504.db2.gz HGZZNFHZGJGXPD-OTWHNJEPSA-N 1 1 351.535 3.406 20 30 FGEDMO C=CCCCCCCNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000807569510 725163506 /nfs/dbraw/zinc/16/35/06/725163506.db2.gz HGZZNFHZGJGXPD-OTWHNJEPSA-N 1 1 351.535 3.406 20 30 FGEDMO C[C@H](C#N)OCC[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000808786052 725217561 /nfs/dbraw/zinc/21/75/61/725217561.db2.gz DUJPUXMBLNAEKA-IUODEOHRSA-N 1 1 364.795 3.036 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)C1 ZINC000810555966 725314742 /nfs/dbraw/zinc/31/47/42/725314742.db2.gz VENNPGMBPMKTPL-HNAYVOBHSA-N 1 1 350.409 3.264 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000811515336 725372097 /nfs/dbraw/zinc/37/20/97/725372097.db2.gz YKAWQJTVYDAXOE-OAHLLOKOSA-N 1 1 356.388 3.142 20 30 FGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000811813576 725381281 /nfs/dbraw/zinc/38/12/81/725381281.db2.gz CDKPOTQNYCSJCT-LJQANCHMSA-N 1 1 352.450 3.089 20 30 FGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000811813576 725381282 /nfs/dbraw/zinc/38/12/82/725381282.db2.gz CDKPOTQNYCSJCT-LJQANCHMSA-N 1 1 352.450 3.089 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nc1 ZINC000814171360 726944365 /nfs/dbraw/zinc/94/43/65/726944365.db2.gz LWYGIHWHEPMTNQ-AWEZNQCLSA-N 1 1 358.785 3.168 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nc1 ZINC000814171360 726944367 /nfs/dbraw/zinc/94/43/67/726944367.db2.gz LWYGIHWHEPMTNQ-AWEZNQCLSA-N 1 1 358.785 3.168 20 30 FGEDMO CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](CCCCC(C)(C)C#N)CCO2 ZINC000814665229 726991148 /nfs/dbraw/zinc/99/11/48/726991148.db2.gz RJUOZHCMOAMLIX-UHFFFAOYSA-N 1 1 351.491 3.028 20 30 FGEDMO CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](CCCCC(C)(C)C#N)CCO2 ZINC000814665229 726991149 /nfs/dbraw/zinc/99/11/49/726991149.db2.gz RJUOZHCMOAMLIX-UHFFFAOYSA-N 1 1 351.491 3.028 20 30 FGEDMO N#CCCOCC[N@@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000815121139 727041155 /nfs/dbraw/zinc/04/11/55/727041155.db2.gz XHMRHWPORDXDMC-RDJZCZTQSA-N 1 1 367.287 3.125 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000818595960 727315833 /nfs/dbraw/zinc/31/58/33/727315833.db2.gz WJKRYCSDRBYLQV-UHFFFAOYSA-N 1 1 353.293 3.486 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccccc1CSc1nc(C)cs1 ZINC000818606366 727316313 /nfs/dbraw/zinc/31/63/13/727316313.db2.gz PEYKRTZVEUPEHN-UHFFFAOYSA-N 1 1 373.547 3.429 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000818612298 727316642 /nfs/dbraw/zinc/31/66/42/727316642.db2.gz UNHDVEZEZNKMRI-UHFFFAOYSA-N 1 1 357.841 3.212 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000818611818 727316707 /nfs/dbraw/zinc/31/67/07/727316707.db2.gz DQWYDAOUMVEXOL-UHFFFAOYSA-N 1 1 361.294 3.089 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1sc(-c2ccc(C)cc2C)nc1C ZINC000818615666 727317059 /nfs/dbraw/zinc/31/70/59/727317059.db2.gz TYMZMTHDSUHDOK-UHFFFAOYSA-N 1 1 355.507 3.420 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)s1 ZINC000819541903 727381652 /nfs/dbraw/zinc/38/16/52/727381652.db2.gz ZTWZVQUQCDDTPY-OLZOCXBDSA-N 1 1 371.959 3.001 20 30 FGEDMO C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1F ZINC000820755818 729026661 /nfs/dbraw/zinc/02/66/61/729026661.db2.gz RCUFIDWAPCIYEI-PBHICJAKSA-N 1 1 351.853 3.278 20 30 FGEDMO COc1ccc(Br)cc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822938437 729233980 /nfs/dbraw/zinc/23/39/80/729233980.db2.gz XMQPVRZELLPCAS-LLVKDONJSA-N 1 1 351.204 3.201 20 30 FGEDMO N#CCCC[C@H]([NH3+])c1nc(CC(=O)Nc2cc(Cl)ccc2Cl)no1 ZINC000823037043 729246495 /nfs/dbraw/zinc/24/64/95/729246495.db2.gz NNISGKTYROLHJI-NSHDSACASA-N 1 1 368.224 3.251 20 30 FGEDMO N#CCCC[C@H]([NH3+])c1nc(CC(=O)Nc2cccc(Cl)c2Cl)no1 ZINC000823042655 729247062 /nfs/dbraw/zinc/24/70/62/729247062.db2.gz HZUZNXDMCPSVAU-JTQLQIEISA-N 1 1 368.224 3.251 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1Cl ZINC000824451449 729339668 /nfs/dbraw/zinc/33/96/68/729339668.db2.gz XJYSNGHUGXDCPG-OAHLLOKOSA-N 1 1 350.846 3.179 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000825627877 729389949 /nfs/dbraw/zinc/38/99/49/729389949.db2.gz RLIHVWJLKDACKT-CRAIPNDOSA-N 1 1 353.491 3.168 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000825627877 729389951 /nfs/dbraw/zinc/38/99/51/729389951.db2.gz RLIHVWJLKDACKT-CRAIPNDOSA-N 1 1 353.491 3.168 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C#Cc1cccs1 ZINC000827095469 729424118 /nfs/dbraw/zinc/42/41/18/729424118.db2.gz GRLIRTGIWDLPNO-LFUKPOHLSA-N 1 1 352.503 3.372 20 30 FGEDMO O=C(N1C[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2C1)C(F)(F)F ZINC000831571210 729652021 /nfs/dbraw/zinc/65/20/21/729652021.db2.gz KUGFDYLCXFCIJN-LSDHHAIUSA-N 1 1 370.802 3.034 20 30 FGEDMO C#CC[C@H]1CCC[N@H+](CN2C[C@H](c3cc(F)c(F)c(F)c3)CC2=O)C1 ZINC000842629215 730521539 /nfs/dbraw/zinc/52/15/39/730521539.db2.gz LNTIOHGUNCMQKG-DZGCQCFKSA-N 1 1 350.384 3.113 20 30 FGEDMO C#CC[C@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000842628711 730521794 /nfs/dbraw/zinc/52/17/94/730521794.db2.gz FBGYAIZGALFANY-NSHDSACASA-N 1 1 367.218 3.189 20 30 FGEDMO C#CC[C@H]1CCC[N@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000842628711 730521797 /nfs/dbraw/zinc/52/17/97/730521797.db2.gz FBGYAIZGALFANY-NSHDSACASA-N 1 1 367.218 3.189 20 30 FGEDMO CC#CCC[N@H+]1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000844354438 730706175 /nfs/dbraw/zinc/70/61/75/730706175.db2.gz JNPKYQHYLZPOFY-RCCFBDPRSA-N 1 1 350.503 3.184 20 30 FGEDMO C#C[C@@H]1CCC[N@@H+](CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000848494587 731171131 /nfs/dbraw/zinc/17/11/31/731171131.db2.gz RKFMBTYRMUAGGV-RHSMWYFYSA-N 1 1 361.283 3.068 20 30 FGEDMO C#C[C@@H]1CCC[N@H+](CN2CC[C@H](c3cccc(Br)c3)C2=O)C1 ZINC000848494587 731171133 /nfs/dbraw/zinc/17/11/33/731171133.db2.gz RKFMBTYRMUAGGV-RHSMWYFYSA-N 1 1 361.283 3.068 20 30 FGEDMO COCCOc1ccc(Cl)cc1-c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848626187 731189181 /nfs/dbraw/zinc/18/91/81/731189181.db2.gz PMWVPLIXEDHAOR-AWEZNQCLSA-N 1 1 364.833 3.499 20 30 FGEDMO C[C@H]1CO[C@H](COC(=O)c2ccc(C#N)s2)C[N@@H+]1Cc1ccccc1 ZINC000851412192 731457237 /nfs/dbraw/zinc/45/72/37/731457237.db2.gz MWMRJAHMYHSTRD-HOCLYGCPSA-N 1 1 356.447 3.066 20 30 FGEDMO C[C@H]1CO[C@H](COC(=O)c2ccc(C#N)s2)C[N@H+]1Cc1ccccc1 ZINC000851412192 731457239 /nfs/dbraw/zinc/45/72/39/731457239.db2.gz MWMRJAHMYHSTRD-HOCLYGCPSA-N 1 1 356.447 3.066 20 30 FGEDMO C#CC[N@@H+](CCOC(F)F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000851771958 731496099 /nfs/dbraw/zinc/49/60/99/731496099.db2.gz SVZAALUSBGFRQN-CYBMUJFWSA-N 1 1 360.198 3.447 20 30 FGEDMO C#CC[N@H+](CCOC(F)F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000851771958 731496105 /nfs/dbraw/zinc/49/61/05/731496105.db2.gz SVZAALUSBGFRQN-CYBMUJFWSA-N 1 1 360.198 3.447 20 30 FGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(CNC(=O)OC(C)(C)C)n1 ZINC000852303527 731567288 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CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000081519761 493908586 /nfs/dbraw/zinc/90/85/86/493908586.db2.gz BHXPSOJIACWDLK-CQSZACIVSA-N 1 1 361.511 3.186 20 30 FGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000069085708 493918743 /nfs/dbraw/zinc/91/87/43/493918743.db2.gz ADZVEXKPNDMKER-PXNSSMCTSA-N 1 1 352.434 3.144 20 30 FGEDMO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469467 493937484 /nfs/dbraw/zinc/93/74/84/493937484.db2.gz SHQNGEAGXNXMDX-PWIZWCRZSA-N 1 1 355.482 3.111 20 30 FGEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000571256922 505690861 /nfs/dbraw/zinc/69/08/61/505690861.db2.gz FYCTVYSSJSPIBK-GPMSIDNRSA-N 1 1 364.497 3.003 20 30 FGEDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051407579 493967799 /nfs/dbraw/zinc/96/77/99/493967799.db2.gz MMDNCXSQNCLNQW-PBHICJAKSA-N 1 1 360.404 3.464 20 30 FGEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000051407579 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/nfs/dbraw/zinc/08/79/64/494087964.db2.gz BVLXOJHQDFPNDT-UHFFFAOYSA-N 1 1 352.438 3.018 20 30 FGEDMO N#Cc1cc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)ccc1F ZINC000077497806 494096867 /nfs/dbraw/zinc/09/68/67/494096867.db2.gz YVCCSBVGKVQIFW-UHFFFAOYSA-N 1 1 352.413 3.267 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000087026784 494163279 /nfs/dbraw/zinc/16/32/79/494163279.db2.gz ROZHLAJCOZKTCU-UHFFFAOYSA-N 1 1 369.415 3.113 20 30 FGEDMO CC(C)C1CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000072717907 494239336 /nfs/dbraw/zinc/23/93/36/494239336.db2.gz UCPVSFCFPITBRB-UHFFFAOYSA-N 1 1 351.454 3.050 20 30 FGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)Nc1ccccc1SCC#N ZINC000072759064 494245453 /nfs/dbraw/zinc/24/54/53/494245453.db2.gz JPZPCRDLBZWCGY-INIZCTEOSA-N 1 1 360.527 3.047 20 30 FGEDMO C=CCC[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000571355793 505713106 /nfs/dbraw/zinc/71/31/06/505713106.db2.gz IYQRGFGCJHADHC-RLLQIKCJSA-N 1 1 371.525 3.141 20 30 FGEDMO C[N@H+](CCOc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000078599540 494327068 /nfs/dbraw/zinc/32/70/68/494327068.db2.gz SLBRCOCZBGDCDN-IBGZPJMESA-N 1 1 369.852 3.328 20 30 FGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000078599540 494327074 /nfs/dbraw/zinc/32/70/74/494327074.db2.gz SLBRCOCZBGDCDN-IBGZPJMESA-N 1 1 369.852 3.328 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000089829597 494375615 /nfs/dbraw/zinc/37/56/15/494375615.db2.gz DVSJYRFQMKEDNM-UHFFFAOYSA-N 1 1 357.498 3.102 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073615883 494400115 /nfs/dbraw/zinc/40/01/15/494400115.db2.gz IDCPMOZHISGMTI-MRXNPFEDSA-N 1 1 364.424 3.465 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073615883 494400119 /nfs/dbraw/zinc/40/01/19/494400119.db2.gz IDCPMOZHISGMTI-MRXNPFEDSA-N 1 1 364.424 3.465 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)c(C#N)c1C ZINC000089922294 494402263 /nfs/dbraw/zinc/40/22/63/494402263.db2.gz ZKAZRFYBVRITIB-AWEZNQCLSA-N 1 1 354.454 3.293 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(N(C)C)c2)c(C#N)c1C ZINC000089922294 494402265 /nfs/dbraw/zinc/40/22/65/494402265.db2.gz ZKAZRFYBVRITIB-AWEZNQCLSA-N 1 1 354.454 3.293 20 30 FGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCCSCC2)c1C#N ZINC000089986087 494420769 /nfs/dbraw/zinc/42/07/69/494420769.db2.gz WPZODDIVUNTOJY-UHFFFAOYSA-N 1 1 368.506 3.343 20 30 FGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCCSCC2)c1C#N ZINC000089986087 494420771 /nfs/dbraw/zinc/42/07/71/494420771.db2.gz WPZODDIVUNTOJY-UHFFFAOYSA-N 1 1 368.506 3.343 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2C2CC2)sc2c1CCCCC2 ZINC000090008392 494427615 /nfs/dbraw/zinc/42/76/15/494427615.db2.gz HDLCTTWCLRXRBG-QGZVFWFLSA-N 1 1 373.522 3.328 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2C2CC2)sc2c1CCCCC2 ZINC000090008392 494427618 /nfs/dbraw/zinc/42/76/18/494427618.db2.gz HDLCTTWCLRXRBG-QGZVFWFLSA-N 1 1 373.522 3.328 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(c3nc(C)cc(C)c3C#N)CC2)cc1 ZINC000073869913 494440141 /nfs/dbraw/zinc/44/01/41/494440141.db2.gz GCZCKPUGNDCTPN-UHFFFAOYSA-N 1 1 350.466 3.291 20 30 FGEDMO COc1ccc(C)cc1CN1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000022923221 494541793 /nfs/dbraw/zinc/54/17/93/494541793.db2.gz REKXOJICYAUBDZ-UHFFFAOYSA-N 1 1 365.477 3.072 20 30 FGEDMO COc1ccc(C)cc1C[NH+]1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000022923221 494541797 /nfs/dbraw/zinc/54/17/97/494541797.db2.gz REKXOJICYAUBDZ-UHFFFAOYSA-N 1 1 365.477 3.072 20 30 FGEDMO CC(C)Cc1nnc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000023140283 494552038 /nfs/dbraw/zinc/55/20/38/494552038.db2.gz WGEKCZIKIXFVDR-UHFFFAOYSA-N 1 1 373.526 3.142 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000056754595 494556655 /nfs/dbraw/zinc/55/66/55/494556655.db2.gz OYPPOPLDFYYAIU-UHFFFAOYSA-N 1 1 352.438 3.210 20 30 FGEDMO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000023753265 494579553 /nfs/dbraw/zinc/57/95/53/494579553.db2.gz VBCAZQBLKPRKEV-UHFFFAOYSA-N 1 1 367.424 3.054 20 30 FGEDMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000023753265 494579555 /nfs/dbraw/zinc/57/95/55/494579555.db2.gz VBCAZQBLKPRKEV-UHFFFAOYSA-N 1 1 367.424 3.054 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCN(C)c2ccccc2)c(C#N)c1C ZINC000107683712 494584111 /nfs/dbraw/zinc/58/41/11/494584111.db2.gz MITAXBIAQBGUFT-OAHLLOKOSA-N 1 1 354.454 3.163 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCN(C)c2ccccc2)c(C#N)c1C ZINC000107683712 494584121 /nfs/dbraw/zinc/58/41/21/494584121.db2.gz MITAXBIAQBGUFT-OAHLLOKOSA-N 1 1 354.454 3.163 20 30 FGEDMO C[C@@H]1C[N@H+](CC2CCN(c3c(C#N)cnc4ccccc43)CC2)C[C@H](C)O1 ZINC000091478949 494607379 /nfs/dbraw/zinc/60/73/79/494607379.db2.gz ANGKRONBKQSHOZ-CALCHBBNSA-N 1 1 364.493 3.432 20 30 FGEDMO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000121141081 494613635 /nfs/dbraw/zinc/61/36/35/494613635.db2.gz DWZZGWPCUVKSJF-WUJZJPHMSA-N 1 1 362.543 3.327 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccc(C#N)cc1 ZINC000126075305 494627417 /nfs/dbraw/zinc/62/74/17/494627417.db2.gz LXTIOGUNMALPKN-UHFFFAOYSA-N 1 1 364.449 3.367 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)Cc1ccc(C#N)cc1 ZINC000126075305 494627423 /nfs/dbraw/zinc/62/74/23/494627423.db2.gz LXTIOGUNMALPKN-UHFFFAOYSA-N 1 1 364.449 3.367 20 30 FGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000092567762 494670350 /nfs/dbraw/zinc/67/03/50/494670350.db2.gz LOVHABINARVSBJ-UHFFFAOYSA-N 1 1 350.466 3.202 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc3c2OCCCO3)CC1 ZINC000091792261 494680718 /nfs/dbraw/zinc/68/07/18/494680718.db2.gz GZMOVILCROSPHV-UHFFFAOYSA-N 1 1 363.461 3.432 20 30 FGEDMO C=CCOc1ccccc1C[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000092614478 494688072 /nfs/dbraw/zinc/68/80/72/494688072.db2.gz FVDNKPHKAKFNDH-UHFFFAOYSA-N 1 1 362.424 3.161 20 30 FGEDMO Cc1ccccc1COC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000091814259 494689817 /nfs/dbraw/zinc/68/98/17/494689817.db2.gz UIKQMWBNIUSFII-OAQYLSRUSA-N 1 1 357.498 3.031 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(-c2cccnc2)c1 ZINC000091936652 494727511 /nfs/dbraw/zinc/72/75/11/494727511.db2.gz LPLIUNNMRYSGFB-QGZVFWFLSA-N 1 1 370.460 3.121 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000091936772 494727537 /nfs/dbraw/zinc/72/75/37/494727537.db2.gz YTGRQEKQJZAMHM-CQSZACIVSA-N 1 1 355.511 3.418 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000091936772 494727542 /nfs/dbraw/zinc/72/75/42/494727542.db2.gz YTGRQEKQJZAMHM-CQSZACIVSA-N 1 1 355.511 3.418 20 30 FGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1)CCC2 ZINC000121410668 494743732 /nfs/dbraw/zinc/74/37/32/494743732.db2.gz DLTPDAOCCAKSJD-QFBILLFUSA-N 1 1 371.506 3.267 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(NC(=O)C3(C#N)CCCCC3)cc2)CC1 ZINC000057431204 494744497 /nfs/dbraw/zinc/74/44/97/494744497.db2.gz YIPXTCTXFQHKDZ-UHFFFAOYSA-N 1 1 354.498 3.237 20 30 FGEDMO N#Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000080652779 494753765 /nfs/dbraw/zinc/75/37/65/494753765.db2.gz YEWWYTHILLXJRR-HXUWFJFHSA-N 1 1 351.425 3.368 20 30 FGEDMO N#Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000080652779 494753773 /nfs/dbraw/zinc/75/37/73/494753773.db2.gz YEWWYTHILLXJRR-HXUWFJFHSA-N 1 1 351.425 3.368 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1cccc(OC)c1)Cc1ccc(C#N)cc1 ZINC000047739905 494766757 /nfs/dbraw/zinc/76/67/57/494766757.db2.gz RIXUYDIOAOGACZ-UHFFFAOYSA-N 1 1 351.450 3.095 20 30 FGEDMO C[N@@H+](CCOc1ccccc1Cl)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025699772 494770419 /nfs/dbraw/zinc/77/04/19/494770419.db2.gz AUHNHLXAXVJIFO-KRWDZBQOSA-N 1 1 374.868 3.157 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+](CCCO)Cc3cccc(Cl)c3)n2c1 ZINC000092063572 494774256 /nfs/dbraw/zinc/77/42/56/494774256.db2.gz DDWRLJSPINGURV-UHFFFAOYSA-N 1 1 354.841 3.244 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+](CCCO)Cc3cccc(Cl)c3)n2c1 ZINC000092063572 494774260 /nfs/dbraw/zinc/77/42/60/494774260.db2.gz DDWRLJSPINGURV-UHFFFAOYSA-N 1 1 354.841 3.244 20 30 FGEDMO CC(C)C(=O)NCC[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000092104270 494792742 /nfs/dbraw/zinc/79/27/42/494792742.db2.gz MXMJNJNZJQFJKH-UHFFFAOYSA-N 1 1 365.477 3.341 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000108843176 494795356 /nfs/dbraw/zinc/79/53/56/494795356.db2.gz OFBSTQGKMGGYJH-MBOZVWFJSA-N 1 1 357.498 3.198 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCOc1ccccc1 ZINC000026184280 494807726 /nfs/dbraw/zinc/80/77/26/494807726.db2.gz UFNHYFKJFOIVQY-CQSZACIVSA-N 1 1 369.490 3.446 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCOc1ccccc1 ZINC000026184280 494807730 /nfs/dbraw/zinc/80/77/30/494807730.db2.gz UFNHYFKJFOIVQY-CQSZACIVSA-N 1 1 369.490 3.446 20 30 FGEDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000026225031 494810531 /nfs/dbraw/zinc/81/05/31/494810531.db2.gz UZVNYHAXPXORDF-UHFFFAOYSA-N 1 1 353.422 3.036 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)ccc1OC ZINC000093042601 494814295 /nfs/dbraw/zinc/81/42/95/494814295.db2.gz HZXNVGASGQPDNC-HXUWFJFHSA-N 1 1 374.525 3.194 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026324887 494816764 /nfs/dbraw/zinc/81/67/64/494816764.db2.gz ADWBQIWBMDBUGB-CQSZACIVSA-N 1 1 353.422 3.034 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026324887 494816766 /nfs/dbraw/zinc/81/67/66/494816766.db2.gz ADWBQIWBMDBUGB-CQSZACIVSA-N 1 1 353.422 3.034 20 30 FGEDMO C[NH+](C)CC(=O)Nc1ccc(NCc2cccc(OCCCC#N)c2)cc1 ZINC000132105702 494820611 /nfs/dbraw/zinc/82/06/11/494820611.db2.gz XTMHDSUAOIYHNZ-UHFFFAOYSA-N 1 1 366.465 3.481 20 30 FGEDMO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1 ZINC000093362772 494879309 /nfs/dbraw/zinc/87/93/09/494879309.db2.gz JKWVOLUDSMIBFW-LJQANCHMSA-N 1 1 355.482 3.346 20 30 FGEDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 ZINC000117344264 494911843 /nfs/dbraw/zinc/91/18/43/494911843.db2.gz PBRSHCLAOBYZQG-GOSISDBHSA-N 1 1 374.529 3.464 20 30 FGEDMO N#CCOc1ccc(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000110846144 495014324 /nfs/dbraw/zinc/01/43/24/495014324.db2.gz GVHCVMZJZOJHDX-GOSISDBHSA-N 1 1 355.482 3.045 20 30 FGEDMO C=CCCO[C@@H](C)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000111044648 495032974 /nfs/dbraw/zinc/03/29/74/495032974.db2.gz RJJDEDOPEQHKPK-HNNXBMFYSA-N 1 1 365.543 3.015 20 30 FGEDMO CC(C)COc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1 ZINC000122925248 495054065 /nfs/dbraw/zinc/05/40/65/495054065.db2.gz KILZYNLQHXOTPQ-UHFFFAOYSA-N 1 1 350.466 3.310 20 30 FGEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000111250788 495055279 /nfs/dbraw/zinc/05/52/79/495055279.db2.gz YYXJKQNQXUWVAZ-UHFFFAOYSA-N 1 1 370.497 3.404 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128289427 495074728 /nfs/dbraw/zinc/07/47/28/495074728.db2.gz QXGDTSFIPFEURB-MRXNPFEDSA-N 1 1 357.376 3.071 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128289427 495074729 /nfs/dbraw/zinc/07/47/29/495074729.db2.gz QXGDTSFIPFEURB-MRXNPFEDSA-N 1 1 357.376 3.071 20 30 FGEDMO CC[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000128313779 495077970 /nfs/dbraw/zinc/07/79/70/495077970.db2.gz QIPDLYDJWOOESJ-QGZVFWFLSA-N 1 1 370.497 3.198 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000128414928 495092914 /nfs/dbraw/zinc/09/29/14/495092914.db2.gz UGFVOPFFXROWTN-IBGZPJMESA-N 1 1 354.475 3.039 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000128414928 495092916 /nfs/dbraw/zinc/09/29/16/495092916.db2.gz UGFVOPFFXROWTN-IBGZPJMESA-N 1 1 354.475 3.039 20 30 FGEDMO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000580445915 505761724 /nfs/dbraw/zinc/76/17/24/505761724.db2.gz MKAIIBLOUMSUBV-MOPGFXCFSA-N 1 1 361.449 3.279 20 30 FGEDMO C=C(C)COc1cc(C[NH+]2CCC(CN3CCOCC3)CC2)ccc1OC ZINC000134138197 495111944 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N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158791184 495589855 /nfs/dbraw/zinc/58/98/55/495589855.db2.gz AQCRCTFWDKEARK-HXUWFJFHSA-N 1 1 367.474 3.122 20 30 FGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000150745294 495619597 /nfs/dbraw/zinc/61/95/97/495619597.db2.gz JYYVMRYFVLAZCO-HXUWFJFHSA-N 1 1 356.514 3.456 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173639623 495628460 /nfs/dbraw/zinc/62/84/60/495628460.db2.gz UXNIOKFJAMRRRK-ROUUACIJSA-N 1 1 363.571 3.457 20 30 FGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000176436671 495650935 /nfs/dbraw/zinc/65/09/35/495650935.db2.gz DQCUQDHIXBKRLY-KRWDZBQOSA-N 1 1 374.554 3.069 20 30 FGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000176436653 495650994 /nfs/dbraw/zinc/65/09/94/495650994.db2.gz DQCUQDHIXBKRLY-QGZVFWFLSA-N 1 1 374.554 3.069 20 30 FGEDMO C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712848 495692942 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URZKYTBHJCPSLL-JKSUJKDBSA-N 1 1 361.511 3.378 20 30 FGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268956557 496834086 /nfs/dbraw/zinc/83/40/86/496834086.db2.gz HARBKRQIPLTSLS-ZVZYQTTQSA-N 1 1 366.465 3.412 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c1C ZINC000191643387 496843461 /nfs/dbraw/zinc/84/34/61/496843461.db2.gz FHLCOIIXYWCDID-QFIPXVFZSA-N 1 1 371.525 3.423 20 30 FGEDMO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000191675967 496852556 /nfs/dbraw/zinc/85/25/56/496852556.db2.gz PYMUVOOUQUKESX-FUHIMQAGSA-N 1 1 372.465 3.151 20 30 FGEDMO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000191675967 496852561 /nfs/dbraw/zinc/85/25/61/496852561.db2.gz PYMUVOOUQUKESX-FUHIMQAGSA-N 1 1 372.465 3.151 20 30 FGEDMO C=CCc1cc(C(=O)N2CC[NH2+]Cc3ccccc32)cc(OC)c1OC ZINC000269163553 496884012 /nfs/dbraw/zinc/88/40/12/496884012.db2.gz BOUPBOZDTUWZMY-UHFFFAOYSA-N 1 1 352.434 3.182 20 30 FGEDMO C#CC[NH+]1CCC(c2nc([C@@H](NC(=O)OC(C)(C)C)C(C)C)no2)CC1 ZINC000277794219 496889973 /nfs/dbraw/zinc/88/99/73/496889973.db2.gz GBLUNVPWFSIYGW-HNNXBMFYSA-N 1 1 362.474 3.104 20 30 FGEDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cc(C#N)ccc1Br ZINC000191818751 496900510 /nfs/dbraw/zinc/90/05/10/496900510.db2.gz SOXCJSYBSBSSKT-UHFFFAOYSA-N 1 1 366.303 3.351 20 30 FGEDMO CC(C)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1CCC1 ZINC000277831802 496903923 /nfs/dbraw/zinc/90/39/23/496903923.db2.gz RODFELNEDZCXNY-INIZCTEOSA-N 1 1 352.438 3.022 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000248035847 496944578 /nfs/dbraw/zinc/94/45/78/496944578.db2.gz LGRLKHKYRYNCMC-PZJWPPBQSA-N 1 1 365.502 3.353 20 30 FGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(C#N)cc3)CC2)oc1C ZINC000264684074 496963416 /nfs/dbraw/zinc/96/34/16/496963416.db2.gz BNUVPHGNGCTMMV-UHFFFAOYSA-N 1 1 367.453 3.197 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572054727 505878797 /nfs/dbraw/zinc/87/87/97/505878797.db2.gz OLLPIRNGVDOAKA-NEWSRXKRSA-N 1 1 368.880 3.446 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572054727 505878802 /nfs/dbraw/zinc/87/88/02/505878802.db2.gz OLLPIRNGVDOAKA-NEWSRXKRSA-N 1 1 368.880 3.446 20 30 FGEDMO N#CC(CC[N@@H+]1CCC[C@@]12CCNC2=O)(c1ccccc1)c1ccccc1 ZINC000572056771 505879323 /nfs/dbraw/zinc/87/93/23/505879323.db2.gz ZXOCZMXAQSSWNH-QHCPKHFHSA-N 1 1 359.473 3.241 20 30 FGEDMO CSCC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nnc2ccccn21 ZINC000192180463 497025149 /nfs/dbraw/zinc/02/51/49/497025149.db2.gz GOHRASLYSZTSKN-INIZCTEOSA-N 1 1 355.442 3.324 20 30 FGEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(F)c(F)c1 ZINC000248549367 497035363 /nfs/dbraw/zinc/03/53/63/497035363.db2.gz HIBRDEJMEIDNTL-GGPKGHCWSA-N 1 1 364.436 3.342 20 30 FGEDMO CCCC[N@@H+](CC)Cc1cccc(CNS(=O)(=O)CC2(C#N)CC2)c1 ZINC000274248697 497051382 /nfs/dbraw/zinc/05/13/82/497051382.db2.gz WPDKZCHHFYTLCB-UHFFFAOYSA-N 1 1 363.527 3.032 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(CC#N)cc3)CC2)cc1 ZINC000270197764 497075286 /nfs/dbraw/zinc/07/52/86/497075286.db2.gz CTBLIEAUDYLGMF-UHFFFAOYSA-N 1 1 363.461 3.109 20 30 FGEDMO C#CC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000270299834 497097112 /nfs/dbraw/zinc/09/71/12/497097112.db2.gz OMKLJNSYYMJBLI-SESVDKBCSA-N 1 1 351.494 3.409 20 30 FGEDMO C#CCC(CC#C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000278492487 497133390 /nfs/dbraw/zinc/13/33/90/497133390.db2.gz YZHPFBUJNBISOM-LPHOPBHVSA-N 1 1 360.860 3.251 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000249092571 497165368 /nfs/dbraw/zinc/16/53/68/497165368.db2.gz WPYYILFTWVIYNW-LAUBAEHRSA-N 1 1 374.488 3.012 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249688048 497231267 /nfs/dbraw/zinc/23/12/67/497231267.db2.gz SNGMWQFHBGVJCI-HZPDHXFCSA-N 1 1 358.511 3.254 20 30 FGEDMO CC1(C)CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000266023137 497235249 /nfs/dbraw/zinc/23/52/49/497235249.db2.gz PTJCMFUHQQKYJH-OAHLLOKOSA-N 1 1 352.438 3.024 20 30 FGEDMO CC1(C)CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000266023137 497235257 /nfs/dbraw/zinc/23/52/57/497235257.db2.gz PTJCMFUHQQKYJH-OAHLLOKOSA-N 1 1 352.438 3.024 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000270994182 497242392 /nfs/dbraw/zinc/24/23/92/497242392.db2.gz VBWBCGIKOHOVJW-UHFFFAOYSA-N 1 1 367.497 3.076 20 30 FGEDMO C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000572120317 505894952 /nfs/dbraw/zinc/89/49/52/505894952.db2.gz QNWDDJNCOXMOLF-CVEARBPZSA-N 1 1 374.558 3.129 20 30 FGEDMO N#CC(CC[N@@H+]1CCC[C@H](OCCO)C1)(c1ccccc1)c1ccccc1 ZINC000193054899 497289215 /nfs/dbraw/zinc/28/92/15/497289215.db2.gz SJBSRDBHNLNLTM-QFIPXVFZSA-N 1 1 364.489 3.360 20 30 FGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C12CCCCC2 ZINC000569297749 505899742 /nfs/dbraw/zinc/89/97/42/505899742.db2.gz BUEDUZZSXPKTEY-PMACEKPBSA-N 1 1 369.509 3.234 20 30 FGEDMO C=C[C@](C)(CCOC)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000275482741 497340527 /nfs/dbraw/zinc/34/05/27/497340527.db2.gz PUPYOFTWJKXIGN-HXUWFJFHSA-N 1 1 357.454 3.049 20 30 FGEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000279239809 497378661 /nfs/dbraw/zinc/37/86/61/497378661.db2.gz NZOHPGFRVWCLMJ-INIZCTEOSA-N 1 1 352.438 3.063 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245450238 497412763 /nfs/dbraw/zinc/41/27/63/497412763.db2.gz OKHJZLDVKBLHBG-HUUCEWRRSA-N 1 1 374.554 3.242 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000266953193 497454766 /nfs/dbraw/zinc/45/47/66/497454766.db2.gz VAJYUQRTLSELCJ-MSOLQXFVSA-N 1 1 365.481 3.233 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000245569791 497460829 /nfs/dbraw/zinc/46/08/29/497460829.db2.gz GJFOXJWEVBPMCC-JENIJYKNSA-N 1 1 372.538 3.431 20 30 FGEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@]2(C#N)CC2(C)C)C1 ZINC000572187631 505910314 /nfs/dbraw/zinc/91/03/14/505910314.db2.gz LWRPGKFGCOLOAE-JOCHJYFZSA-N 1 1 364.493 3.216 20 30 FGEDMO CCCOc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000193853897 497502321 /nfs/dbraw/zinc/50/23/21/497502321.db2.gz CSJPOAGFTJHORJ-UHFFFAOYSA-N 1 1 366.465 3.073 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)CCC[C@H]2CO)ccc1Cl ZINC000245767603 497534181 /nfs/dbraw/zinc/53/41/81/497534181.db2.gz WOZPTPAVLGEZAO-WBVHZDCISA-N 1 1 363.889 3.130 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2[C@H](C)CCC[C@H]2CO)ccc1Cl ZINC000245767603 497534187 /nfs/dbraw/zinc/53/41/87/497534187.db2.gz WOZPTPAVLGEZAO-WBVHZDCISA-N 1 1 363.889 3.130 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000245863786 497553316 /nfs/dbraw/zinc/55/33/16/497553316.db2.gz PMWMMNRKGJXVEO-QZTJIDSGSA-N 1 1 359.514 3.451 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000245863786 497553322 /nfs/dbraw/zinc/55/33/22/497553322.db2.gz PMWMMNRKGJXVEO-QZTJIDSGSA-N 1 1 359.514 3.451 20 30 FGEDMO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000190659313 497562246 /nfs/dbraw/zinc/56/22/46/497562246.db2.gz NSQAXZCNVZMZKA-UHFFFAOYSA-N 1 1 353.422 3.237 20 30 FGEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCCC[C@H]1O ZINC000245911105 497568388 /nfs/dbraw/zinc/56/83/88/497568388.db2.gz FUPPCICZHNJHOE-UYAOXDASSA-N 1 1 352.482 3.447 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(C)(C#N)CC1 ZINC000272575887 497667386 /nfs/dbraw/zinc/66/73/86/497667386.db2.gz JASGULHVLIGUDI-RUYXUALKSA-N 1 1 368.525 3.478 20 30 FGEDMO CC[NH+](CC)Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2OC)cc1 ZINC000191055149 497695267 /nfs/dbraw/zinc/69/52/67/497695267.db2.gz HXYMYUMAIRMTHY-UHFFFAOYSA-N 1 1 373.478 3.209 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000246452014 497738939 /nfs/dbraw/zinc/73/89/39/497738939.db2.gz OLKBPAPNRLDWRN-RXVVDRJESA-N 1 1 371.525 3.446 20 30 FGEDMO C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273000439 497781648 /nfs/dbraw/zinc/78/16/48/497781648.db2.gz RFCMGZDMAPSOIU-SJLPKXTDSA-N 1 1 366.509 3.500 20 30 FGEDMO CO/N=C/c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000273089367 497797772 /nfs/dbraw/zinc/79/77/72/497797772.db2.gz GLWIKZKSMYRVNL-VXLYETTFSA-N 1 1 358.467 3.142 20 30 FGEDMO CO/N=C/c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000273089367 497797774 /nfs/dbraw/zinc/79/77/74/497797774.db2.gz GLWIKZKSMYRVNL-VXLYETTFSA-N 1 1 358.467 3.142 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000246694670 497800913 /nfs/dbraw/zinc/80/09/13/497800913.db2.gz MZIZDMFCXQGSBV-JKSUJKDBSA-N 1 1 374.554 3.209 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000246694670 497800917 /nfs/dbraw/zinc/80/09/17/497800917.db2.gz MZIZDMFCXQGSBV-JKSUJKDBSA-N 1 1 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356.451 3.076 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290030063 498401326 /nfs/dbraw/zinc/40/13/26/498401326.db2.gz VSWJQXZBSDOTFG-DLBZAZTESA-N 1 1 358.511 3.103 20 30 FGEDMO N#Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000361515733 498402888 /nfs/dbraw/zinc/40/28/88/498402888.db2.gz KQMYZODEUIEYGE-SFTDATJTSA-N 1 1 360.461 3.222 20 30 FGEDMO N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000361515731 498403676 /nfs/dbraw/zinc/40/36/76/498403676.db2.gz KQMYZODEUIEYGE-NHCUHLMSSA-N 1 1 360.461 3.222 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331657459 498411773 /nfs/dbraw/zinc/41/17/73/498411773.db2.gz XSEDXSJWONUPDJ-OPTDIUSFSA-N 1 1 355.482 3.147 20 30 FGEDMO CCC[N@@H+](C)[C@H](CNC(=O)C1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000286541137 498429440 /nfs/dbraw/zinc/42/94/40/498429440.db2.gz YTDLNBJCRFFUHF-QGZVFWFLSA-N 1 1 363.889 3.159 20 30 FGEDMO COc1cccc(-n2cc(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)nn2)c1 ZINC000362043415 498457734 /nfs/dbraw/zinc/45/77/34/498457734.db2.gz XBNXOLUHKCBTDD-OAHLLOKOSA-N 1 1 363.421 3.029 20 30 FGEDMO C=CCN(C(=O)[C@@H]1CCC(=O)C[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362704245 498542028 /nfs/dbraw/zinc/54/20/28/498542028.db2.gz STOSBHHUKQMHMM-YFVAEKQCSA-N 1 1 354.494 3.281 20 30 FGEDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000365632378 498568608 /nfs/dbraw/zinc/56/86/08/498568608.db2.gz SOQSCIYYYPVCRF-AWEZNQCLSA-N 1 1 359.271 3.434 20 30 FGEDMO N#Cc1cc(F)c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000302873954 498609530 /nfs/dbraw/zinc/60/95/30/498609530.db2.gz DPOLAQJSEDRQTK-QGZVFWFLSA-N 1 1 357.404 3.405 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000302988764 498637514 /nfs/dbraw/zinc/63/75/14/498637514.db2.gz VVRAXMMWWPCLGP-NZQKXSOJSA-N 1 1 373.456 3.205 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000302988764 498637519 /nfs/dbraw/zinc/63/75/19/498637519.db2.gz VVRAXMMWWPCLGP-NZQKXSOJSA-N 1 1 373.456 3.205 20 30 FGEDMO Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000365793766 498643632 /nfs/dbraw/zinc/64/36/32/498643632.db2.gz QLVHWZPWNGMFGN-INIZCTEOSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000365793766 498643637 /nfs/dbraw/zinc/64/36/37/498643637.db2.gz QLVHWZPWNGMFGN-INIZCTEOSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000282800343 498659764 /nfs/dbraw/zinc/65/97/64/498659764.db2.gz IFEFWMDZPUHBKD-UHFFFAOYSA-N 1 1 372.900 3.351 20 30 FGEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000303649954 498701136 /nfs/dbraw/zinc/70/11/36/498701136.db2.gz UDIBWDHQRFNTFW-SFTDATJTSA-N 1 1 350.462 3.314 20 30 FGEDMO Cc1nc(NC(=O)C2([NH+](C)C)Cc3ccccc3C2)sc1SCC#N ZINC000363247489 498725179 /nfs/dbraw/zinc/72/51/79/498725179.db2.gz PCNDYVQHZYKYKM-UHFFFAOYSA-N 1 1 372.519 3.105 20 30 FGEDMO N#Cc1cc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1OC(F)(F)F ZINC000332628612 498746192 /nfs/dbraw/zinc/74/61/92/498746192.db2.gz SLBBPRPZXDIGOL-AWEZNQCLSA-N 1 1 368.359 3.159 20 30 FGEDMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1C ZINC000298377970 498750270 /nfs/dbraw/zinc/75/02/70/498750270.db2.gz BXEJOMFYAVNOCN-JSGCOSHPSA-N 1 1 353.422 3.212 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000581929581 506092793 /nfs/dbraw/zinc/09/27/93/506092793.db2.gz VDUJCWFVFUAPSJ-FUHWJXTLSA-N 1 1 373.522 3.114 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000581929581 506092796 /nfs/dbraw/zinc/09/27/96/506092796.db2.gz VDUJCWFVFUAPSJ-FUHWJXTLSA-N 1 1 373.522 3.114 20 30 FGEDMO C=CCn1c(SCCc2c[nH+]cn2C)nnc1-c1ccc(OC)cc1 ZINC000287588225 498805977 /nfs/dbraw/zinc/80/59/77/498805977.db2.gz RDKUKYJYIHZOIB-UHFFFAOYSA-N 1 1 355.467 3.208 20 30 FGEDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000363430953 498818648 /nfs/dbraw/zinc/81/86/48/498818648.db2.gz KHHOCYIODUDSNX-YZGWKJHDSA-N 1 1 354.498 3.200 20 30 FGEDMO N#CC1(NC(=O)[C@H]2CCC[N@H+](Cc3coc(-c4ccccc4)n3)C2)CCC1 ZINC000363451552 498829050 /nfs/dbraw/zinc/82/90/50/498829050.db2.gz VHAZKWAYAFIPMS-KRWDZBQOSA-N 1 1 364.449 3.116 20 30 FGEDMO N#CC1(NC(=O)[C@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)CCC1 ZINC000363451552 498829056 /nfs/dbraw/zinc/82/90/56/498829056.db2.gz VHAZKWAYAFIPMS-KRWDZBQOSA-N 1 1 364.449 3.116 20 30 FGEDMO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000366233765 498834341 /nfs/dbraw/zinc/83/43/41/498834341.db2.gz CPLWVUIBHWGIJA-NHCUHLMSSA-N 1 1 362.408 3.242 20 30 FGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000366233765 498834345 /nfs/dbraw/zinc/83/43/45/498834345.db2.gz CPLWVUIBHWGIJA-NHCUHLMSSA-N 1 1 362.408 3.242 20 30 FGEDMO CCCCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000298767042 498872341 /nfs/dbraw/zinc/87/23/41/498872341.db2.gz RVJKEBAMZWLJEG-MRXNPFEDSA-N 1 1 354.454 3.412 20 30 FGEDMO CCCCC[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000298767042 498872344 /nfs/dbraw/zinc/87/23/44/498872344.db2.gz RVJKEBAMZWLJEG-MRXNPFEDSA-N 1 1 354.454 3.412 20 30 FGEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000283475546 498897069 /nfs/dbraw/zinc/89/70/69/498897069.db2.gz BQBQEAKFKKQFDY-KRWDZBQOSA-N 1 1 356.518 3.028 20 30 FGEDMO O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cn2c(n1)CCCC2 ZINC000328726878 498916295 /nfs/dbraw/zinc/91/62/95/498916295.db2.gz UTMKZRKMWHPNPM-UHFFFAOYSA-N 1 1 356.495 3.405 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000328728070 498917846 /nfs/dbraw/zinc/91/78/46/498917846.db2.gz GQNRWNHBOJIUQF-CABCVRRESA-N 1 1 370.453 3.047 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000328728070 498917855 /nfs/dbraw/zinc/91/78/55/498917855.db2.gz GQNRWNHBOJIUQF-CABCVRRESA-N 1 1 370.453 3.047 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000366422206 498919309 /nfs/dbraw/zinc/91/93/09/498919309.db2.gz NXZZCJMIHIWPDW-HZPDHXFCSA-N 1 1 367.415 3.425 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000328741710 498922995 /nfs/dbraw/zinc/92/29/95/498922995.db2.gz NPSWJYXHXKBMMQ-PMPSAXMXSA-N 1 1 361.490 3.049 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000328741710 498923003 /nfs/dbraw/zinc/92/30/03/498923003.db2.gz NPSWJYXHXKBMMQ-PMPSAXMXSA-N 1 1 361.490 3.049 20 30 FGEDMO COc1cccc(-c2nc(C)c(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)[nH]2)c1 ZINC000328794256 498940540 /nfs/dbraw/zinc/94/05/40/498940540.db2.gz SJFBSPFIFVAMOO-IAGOWNOFSA-N 1 1 354.454 3.325 20 30 FGEDMO C[C@@H]1C[C@H](C)CN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)C1 ZINC000328798877 498941535 /nfs/dbraw/zinc/94/15/35/498941535.db2.gz XDPFXTGEJXIJDE-DAYGRLMNSA-N 1 1 360.502 3.362 20 30 FGEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000328807934 498945494 /nfs/dbraw/zinc/94/54/94/498945494.db2.gz IKJFPZHTJOADEJ-ILZDJORESA-N 1 1 367.497 3.042 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@H]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000328842382 498958305 /nfs/dbraw/zinc/95/83/05/498958305.db2.gz PZDHCMITAXJBOW-XLNTUCKNSA-N 1 1 357.498 3.111 20 30 FGEDMO Cc1cccc(NC(=O)NC(=O)CN2CCN(C)c3[nH+]cccc32)c1C ZINC000328863602 498965733 /nfs/dbraw/zinc/96/57/33/498965733.db2.gz BERGXKJITLOZOP-UHFFFAOYSA-N 1 1 353.426 3.157 20 30 FGEDMO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(C)(C)S(=O)(=O)C2CC2)C1 ZINC000328884973 498973457 /nfs/dbraw/zinc/97/34/57/498973457.db2.gz YXPRKPVBGXPGGC-ZIAGYGMSSA-N 1 1 358.548 3.055 20 30 FGEDMO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000328947532 498996384 /nfs/dbraw/zinc/99/63/84/498996384.db2.gz MPOYWESSXSELFK-GVDBMIGSSA-N 1 1 362.518 3.448 20 30 FGEDMO C=CCN(C(=O)N[C@@H]1CCO[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363808360 499003965 /nfs/dbraw/zinc/00/39/65/499003965.db2.gz AMTWXOYEAFNXHO-MISYRCLQSA-N 1 1 357.498 3.026 20 30 FGEDMO Cn1nccc1[C@H]1[C@H](CNC(=O)NC2CCC3(CC3)CC2)CCC[N@H+]1C ZINC000329175781 499063375 /nfs/dbraw/zinc/06/33/75/499063375.db2.gz LOSGZUKFCXPATB-MAUKXSAKSA-N 1 1 359.518 3.029 20 30 FGEDMO COc1ncc(C(=O)N[C@H](C)C2([NH+]3CCOCC3)CCCC2)cc1Cl ZINC000329204684 499071419 /nfs/dbraw/zinc/07/14/19/499071419.db2.gz XQAAWTRUOBAOBA-CYBMUJFWSA-N 1 1 367.877 3.082 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@]2(O)CCSC2)[C@H]1c1ccc(F)c(F)c1 ZINC000329238024 499080381 /nfs/dbraw/zinc/08/03/81/499080381.db2.gz KTXQNENIZHPLFG-JZXOWHBKSA-N 1 1 370.465 3.313 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)[C@]2(O)CCSC2)[C@H]1c1ccc(F)c(F)c1 ZINC000329238024 499080385 /nfs/dbraw/zinc/08/03/85/499080385.db2.gz KTXQNENIZHPLFG-JZXOWHBKSA-N 1 1 370.465 3.313 20 30 FGEDMO Cc1noc([C@@H]2CCCN2C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000329234876 499080590 /nfs/dbraw/zinc/08/05/90/499080590.db2.gz NAOKTWYEKIOMOF-SJORKVTESA-N 1 1 361.490 3.226 20 30 FGEDMO Cc1noc([C@@H]2CCCN2C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000329234875 499080734 /nfs/dbraw/zinc/08/07/34/499080734.db2.gz NAOKTWYEKIOMOF-IRXDYDNUSA-N 1 1 361.490 3.226 20 30 FGEDMO Cc1cc(C2CC[NH+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)CC2)n[nH]1 ZINC000329334697 499101546 /nfs/dbraw/zinc/10/15/46/499101546.db2.gz XLHTYRFXOJCKCI-CZUORRHYSA-N 1 1 361.490 3.347 20 30 FGEDMO Cc1cc(C2CC[NH+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)CC2)[nH]n1 ZINC000329334697 499101551 /nfs/dbraw/zinc/10/15/51/499101551.db2.gz XLHTYRFXOJCKCI-CZUORRHYSA-N 1 1 361.490 3.347 20 30 FGEDMO CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)CC1 ZINC000329360482 499108208 /nfs/dbraw/zinc/10/82/08/499108208.db2.gz XZIMMJLAJIFTMP-KRWDZBQOSA-N 1 1 368.485 3.007 20 30 FGEDMO CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000329360482 499108213 /nfs/dbraw/zinc/10/82/13/499108213.db2.gz XZIMMJLAJIFTMP-KRWDZBQOSA-N 1 1 368.485 3.007 20 30 FGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)[C@H]2C1 ZINC000329458986 499124042 /nfs/dbraw/zinc/12/40/42/499124042.db2.gz RLKQGBBPZRWLAR-UWJYYQICSA-N 1 1 360.461 3.468 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(Nc4ccc(C#N)cc4)c3)[C@@H]2C1 ZINC000329458981 499124352 /nfs/dbraw/zinc/12/43/52/499124352.db2.gz RLKQGBBPZRWLAR-DYESRHJHSA-N 1 1 360.461 3.468 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000364168000 499126842 /nfs/dbraw/zinc/12/68/42/499126842.db2.gz FAGVMMQKUUGDIM-VQTJNVASSA-N 1 1 363.436 3.291 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000364168000 499126844 /nfs/dbraw/zinc/12/68/44/499126844.db2.gz FAGVMMQKUUGDIM-VQTJNVASSA-N 1 1 363.436 3.291 20 30 FGEDMO O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329487613 499127753 /nfs/dbraw/zinc/12/77/53/499127753.db2.gz UERODRFGDNWGIP-HZPDHXFCSA-N 1 1 368.485 3.056 20 30 FGEDMO Cc1ccccc1C1(O)CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000369811346 499132730 /nfs/dbraw/zinc/13/27/30/499132730.db2.gz QFVSOMKFWGEWHC-UHFFFAOYSA-N 1 1 374.444 3.400 20 30 FGEDMO C#C[C@H](NC(=O)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)C(C)C ZINC000367185009 499158823 /nfs/dbraw/zinc/15/88/23/499158823.db2.gz HZCFLZRMTMMTPF-FQEVSTJZSA-N 1 1 365.477 3.328 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(F)c(C#N)c3)[C@@H](C)C2)s1 ZINC000367399095 499194532 /nfs/dbraw/zinc/19/45/32/499194532.db2.gz NCBVKUQMXWSDGU-KPZWWZAWSA-N 1 1 372.469 3.103 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000367696857 499225770 /nfs/dbraw/zinc/22/57/70/499225770.db2.gz IOIMBXMDXRJSRB-AVRDEDQJSA-N 1 1 353.510 3.456 20 30 FGEDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)cn1 ZINC000370623350 499236364 /nfs/dbraw/zinc/23/63/64/499236364.db2.gz XRIISZBZHNGGPY-AWEZNQCLSA-N 1 1 359.271 3.119 20 30 FGEDMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000368851837 499339796 /nfs/dbraw/zinc/33/97/96/499339796.db2.gz 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C#CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000373110814 499451950 /nfs/dbraw/zinc/45/19/50/499451950.db2.gz VYWCDMGJPKRVHL-GOSISDBHSA-N 1 1 351.450 3.083 20 30 FGEDMO C#CCCCNC(=O)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000373110335 499451989 /nfs/dbraw/zinc/45/19/89/499451989.db2.gz SIUVYBPIPHONRL-UHFFFAOYSA-N 1 1 351.450 3.083 20 30 FGEDMO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000373502409 499473557 /nfs/dbraw/zinc/47/35/57/499473557.db2.gz YDGKKRVCFHXTSB-WMLDXEAASA-N 1 1 350.532 3.317 20 30 FGEDMO N#Cc1ccc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000378300595 499499444 /nfs/dbraw/zinc/49/94/44/499499444.db2.gz YQRWWNWLFBSXBG-UHFFFAOYSA-N 1 1 360.461 3.082 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(-c2ccccc2)n1 ZINC000375301524 499504870 /nfs/dbraw/zinc/50/48/70/499504870.db2.gz GQZFYZGTYPMFIT-NRFANRHFSA-N 1 1 350.466 3.466 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000378400474 499512239 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ZINC000377568457 499705658 /nfs/dbraw/zinc/70/56/58/499705658.db2.gz SCQVRFRXWKRULT-QFIPXVFZSA-N 1 1 363.461 3.261 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[N@@H+](C)[C@@H](C)[C@H]3C)sc2C1 ZINC000411429913 499739418 /nfs/dbraw/zinc/73/94/18/499739418.db2.gz NIOLJTKHHKZQGE-QLFBSQMISA-N 1 1 374.554 3.098 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCN(C)[C@@H](C)[C@H]3C)sc2C1 ZINC000411429913 499739420 /nfs/dbraw/zinc/73/94/20/499739420.db2.gz NIOLJTKHHKZQGE-QLFBSQMISA-N 1 1 374.554 3.098 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCN(C)[C@@H](C)[C@H]3C)sc2C1 ZINC000411429913 499739421 /nfs/dbraw/zinc/73/94/21/499739421.db2.gz NIOLJTKHHKZQGE-QLFBSQMISA-N 1 1 374.554 3.098 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)cc1OC ZINC000414527373 499803568 /nfs/dbraw/zinc/80/35/68/499803568.db2.gz QXMPFIQNIHSNNC-GXTWGEPZSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)cc1OC ZINC000414527373 499803570 /nfs/dbraw/zinc/80/35/70/499803570.db2.gz QXMPFIQNIHSNNC-GXTWGEPZSA-N 1 1 370.287 3.225 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000412030998 499814548 /nfs/dbraw/zinc/81/45/48/499814548.db2.gz AMYRKOSYMRRPCE-HUUJSLGLSA-N 1 1 369.509 3.031 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000417046371 499957254 /nfs/dbraw/zinc/95/72/54/499957254.db2.gz SOZNUYTYLFLHAI-KRWDZBQOSA-N 1 1 373.497 3.107 20 30 FGEDMO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(F)c2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000428987590 499973985 /nfs/dbraw/zinc/97/39/85/499973985.db2.gz XBDAXUOAWINFKM-IEBWSBKVSA-N 1 1 359.351 3.037 20 30 FGEDMO N#C[C@H](CCc1ccccc1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425008291 499992287 /nfs/dbraw/zinc/99/22/87/499992287.db2.gz OVXZMKMFHLWKAY-RJGXRXQPSA-N 1 1 373.500 3.492 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429268275 500037599 /nfs/dbraw/zinc/03/75/99/500037599.db2.gz AUUYIKSOGVDSMX-INIZCTEOSA-N 1 1 369.440 3.295 20 30 FGEDMO C[NH+](C)Cc1cnc(CNc2cccc(C#N)c2Br)s1 ZINC000416427867 500042651 /nfs/dbraw/zinc/04/26/51/500042651.db2.gz OFKDHUJHBYODLL-UHFFFAOYSA-N 1 1 351.273 3.451 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3c(C#N)cccc3[N+](=O)[O-])c2)CCO1 ZINC000425215413 500045821 /nfs/dbraw/zinc/04/58/21/500045821.db2.gz NKEGIWLGDCRBEH-OAHLLOKOSA-N 1 1 366.421 3.299 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3c(C#N)cccc3[N+](=O)[O-])c2)CCO1 ZINC000425215413 500045822 /nfs/dbraw/zinc/04/58/22/500045822.db2.gz NKEGIWLGDCRBEH-OAHLLOKOSA-N 1 1 366.421 3.299 20 30 FGEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000413826148 500067902 /nfs/dbraw/zinc/06/79/02/500067902.db2.gz HLIRVUMHWPJGIN-AZUAARDMSA-N 1 1 371.525 3.069 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1c1ccc(F)cc1F ZINC000425352395 500082153 /nfs/dbraw/zinc/08/21/53/500082153.db2.gz XDVAUAJPIUWBEG-JKSUJKDBSA-N 1 1 362.401 3.287 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H]1c1ccc(F)cc1F ZINC000425509495 500127390 /nfs/dbraw/zinc/12/73/90/500127390.db2.gz KWZVIQIOCPSOIK-RBUKOAKNSA-N 1 1 370.399 3.419 20 30 FGEDMO CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425532221 500134840 /nfs/dbraw/zinc/13/48/40/500134840.db2.gz IQZZDZNPSKLCCE-YWZLYKJASA-N 1 1 352.434 3.194 20 30 FGEDMO CSc1cccc([C@@H]([NH2+]CC(=O)NCC#N)c2ccc(F)c(F)c2)c1 ZINC000425963937 500217426 /nfs/dbraw/zinc/21/74/26/500217426.db2.gz NVMJSVGERMLGLC-GOSISDBHSA-N 1 1 361.417 3.005 20 30 FGEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCC[C@H]1O ZINC000426229254 500250469 /nfs/dbraw/zinc/25/04/69/500250469.db2.gz WIBJNKMUODNZGL-HZPDHXFCSA-N 1 1 361.511 3.062 20 30 FGEDMO CC[NH+](CC)CCO[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426436204 500272292 /nfs/dbraw/zinc/27/22/92/500272292.db2.gz HKJYIOLJUVAULT-LJQANCHMSA-N 1 1 368.443 3.490 20 30 FGEDMO C=CCC[C@H]1NC(=O)N([C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000419923799 500407532 /nfs/dbraw/zinc/40/75/32/500407532.db2.gz BLGYPMMADRGMMC-JFRXWTBNSA-N 1 1 355.482 3.030 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2csc3ccc(Cl)cc32)CC1 ZINC000431833250 500430855 /nfs/dbraw/zinc/43/08/55/500430855.db2.gz SCUXYOWFKBEDFA-UHFFFAOYSA-N 1 1 370.927 3.483 20 30 FGEDMO C=CCn1c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)nnc1C(C)(C)C ZINC000424115098 500455882 /nfs/dbraw/zinc/45/58/82/500455882.db2.gz UBTXHDPKUIKWJQ-RBUKOAKNSA-N 1 1 365.525 3.472 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CCO)CC2)c1C ZINC000421023088 500557279 /nfs/dbraw/zinc/55/72/79/500557279.db2.gz VWCHOFBEZYZSDR-IBGZPJMESA-N 1 1 357.498 3.035 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)nc1 ZINC000428806753 500560310 /nfs/dbraw/zinc/56/03/10/500560310.db2.gz QAOBMWINPBMERD-INIZCTEOSA-N 1 1 370.359 3.080 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C#N)cc3OC(F)F)C2)nc1 ZINC000428806753 500560313 /nfs/dbraw/zinc/56/03/13/500560313.db2.gz QAOBMWINPBMERD-INIZCTEOSA-N 1 1 370.359 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QOXIJXYCBHYFHE-PXNSSMCTSA-N 1 1 354.498 3.212 20 30 FGEDMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)ccc1C#N ZINC000488234513 502665396 /nfs/dbraw/zinc/66/53/96/502665396.db2.gz RKLYPPFQFLKZKU-IBGZPJMESA-N 1 1 352.413 3.402 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@]3(CCCOC3)C2)cc1Cl ZINC000477066793 502668273 /nfs/dbraw/zinc/66/82/73/502668273.db2.gz GNQRPPVTTTVVGZ-IBGZPJMESA-N 1 1 361.873 3.433 20 30 FGEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000477070265 502669107 /nfs/dbraw/zinc/66/91/07/502669107.db2.gz DSQOBIIXYPTGCA-HAWMADMCSA-N 1 1 369.490 3.317 20 30 FGEDMO CC[C@@H](OCC[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000592998293 506327698 /nfs/dbraw/zinc/32/76/98/506327698.db2.gz QGNCOIGVLNGSPP-HXUWFJFHSA-N 1 1 350.466 3.243 20 30 FGEDMO CC1(C)C[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC(C)(C)C1 ZINC000466936124 502733655 /nfs/dbraw/zinc/73/36/55/502733655.db2.gz NOBDEFUJQXVAQJ-UHFFFAOYSA-N 1 1 365.481 3.441 20 30 FGEDMO C=CCn1cccc1C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000488574853 502754376 /nfs/dbraw/zinc/75/43/76/502754376.db2.gz SAQMWIANTRWUPV-UHFFFAOYSA-N 1 1 353.466 3.031 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602873177 506332594 /nfs/dbraw/zinc/33/25/94/506332594.db2.gz HOOMRFZAOOKQFT-CXAGYDPISA-N 1 1 374.554 3.098 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481175467 502772513 /nfs/dbraw/zinc/77/25/13/502772513.db2.gz KHANMUJXKYOBMB-SVFBPWRDSA-N 1 1 357.542 3.300 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481175467 502772517 /nfs/dbraw/zinc/77/25/17/502772517.db2.gz KHANMUJXKYOBMB-SVFBPWRDSA-N 1 1 357.542 3.300 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481176823 502774629 /nfs/dbraw/zinc/77/46/29/502774629.db2.gz SPFWXHAYLLQFRB-SVFBPWRDSA-N 1 1 355.526 3.076 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481176823 502774636 /nfs/dbraw/zinc/77/46/36/502774636.db2.gz SPFWXHAYLLQFRB-SVFBPWRDSA-N 1 1 355.526 3.076 20 30 FGEDMO C=CCSc1ccccc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000470473482 502787736 /nfs/dbraw/zinc/78/77/36/502787736.db2.gz MBTQATRMAPYERK-MRXNPFEDSA-N 1 1 360.523 3.290 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H]2C)c1C#N ZINC000488731247 502794358 /nfs/dbraw/zinc/79/43/58/502794358.db2.gz IVRVGRYWUGYQHM-DLBZAZTESA-N 1 1 372.513 3.123 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2C)c1C#N ZINC000488731247 502794364 /nfs/dbraw/zinc/79/43/64/502794364.db2.gz IVRVGRYWUGYQHM-DLBZAZTESA-N 1 1 372.513 3.123 20 30 FGEDMO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000481240159 502794535 /nfs/dbraw/zinc/79/45/35/502794535.db2.gz RBTBQVBXXGFAPU-FPOVZHCZSA-N 1 1 364.445 3.378 20 30 FGEDMO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000481240159 502794541 /nfs/dbraw/zinc/79/45/41/502794541.db2.gz RBTBQVBXXGFAPU-FPOVZHCZSA-N 1 1 364.445 3.378 20 30 FGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000481255235 502797623 /nfs/dbraw/zinc/79/76/23/502797623.db2.gz KJQFWFHGERJAOP-NSHDSACASA-N 1 1 358.223 3.126 20 30 FGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000481255235 502797619 /nfs/dbraw/zinc/79/76/19/502797619.db2.gz KJQFWFHGERJAOP-NSHDSACASA-N 1 1 358.223 3.126 20 30 FGEDMO C=CCC[C@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000488844564 502824297 /nfs/dbraw/zinc/82/42/97/502824297.db2.gz XDVUZXISVYFJJO-RXVVDRJESA-N 1 1 356.510 3.448 20 30 FGEDMO Cc1cc(C)c(C#N)c(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000513106799 502852999 /nfs/dbraw/zinc/85/29/99/502852999.db2.gz AGAGVUDWBFVRSS-NRFANRHFSA-N 1 1 363.509 3.361 20 30 FGEDMO Cc1cc(C)c(C#N)c(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000513106799 502853001 /nfs/dbraw/zinc/85/30/01/502853001.db2.gz AGAGVUDWBFVRSS-NRFANRHFSA-N 1 1 363.509 3.361 20 30 FGEDMO Cc1cc(C)c(C#N)c(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000513106799 502853004 /nfs/dbraw/zinc/85/30/04/502853004.db2.gz AGAGVUDWBFVRSS-NRFANRHFSA-N 1 1 363.509 3.361 20 30 FGEDMO C=CCn1cccc1C(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000489016664 502861015 /nfs/dbraw/zinc/86/10/15/502861015.db2.gz DDPXRSBBMYCJTE-PZJWPPBQSA-N 1 1 367.493 3.084 20 30 FGEDMO C=CCn1cccc1C(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000489016664 502861016 /nfs/dbraw/zinc/86/10/16/502861016.db2.gz DDPXRSBBMYCJTE-PZJWPPBQSA-N 1 1 367.493 3.084 20 30 FGEDMO C[N@@H+](CCCNS(=O)(=O)c1cccc(Cl)c1C#N)C1CCCCC1 ZINC000505300364 502884947 /nfs/dbraw/zinc/88/49/47/502884947.db2.gz SUDPXJIPRLHOAH-UHFFFAOYSA-N 1 1 369.918 3.145 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000599138862 506340078 /nfs/dbraw/zinc/34/00/78/506340078.db2.gz HRROMYLMCAWBQX-KRWDZBQOSA-N 1 1 352.394 3.161 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])cc2C#N)cc1 ZINC000599138862 506340086 /nfs/dbraw/zinc/34/00/86/506340086.db2.gz HRROMYLMCAWBQX-KRWDZBQOSA-N 1 1 352.394 3.161 20 30 FGEDMO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C[C@@H](O)CC(C)(C)C#N ZINC000602894197 506341424 /nfs/dbraw/zinc/34/14/24/506341424.db2.gz WCEGHWTULKTECS-LBPRGKRZSA-N 1 1 354.376 3.314 20 30 FGEDMO C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)C[C@@H](O)CC(C)(C)C#N ZINC000602894197 506341429 /nfs/dbraw/zinc/34/14/29/506341429.db2.gz WCEGHWTULKTECS-LBPRGKRZSA-N 1 1 354.376 3.314 20 30 FGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000489406214 502949169 /nfs/dbraw/zinc/94/91/69/502949169.db2.gz OLPYGTCQHDIYPG-CQSZACIVSA-N 1 1 359.426 3.303 20 30 FGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000489406214 502949175 /nfs/dbraw/zinc/94/91/75/502949175.db2.gz OLPYGTCQHDIYPG-CQSZACIVSA-N 1 1 359.426 3.303 20 30 FGEDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccc(C#N)cc3OC)CC2)c1 ZINC000501203817 502958328 /nfs/dbraw/zinc/95/83/28/502958328.db2.gz IJBOZGPEEVYYBI-QGZVFWFLSA-N 1 1 365.477 3.454 20 30 FGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000489442043 502958573 /nfs/dbraw/zinc/95/85/73/502958573.db2.gz RYSOAJDCTBPANK-AWEZNQCLSA-N 1 1 359.426 3.303 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 ZINC000489442043 502958576 /nfs/dbraw/zinc/95/85/76/502958576.db2.gz RYSOAJDCTBPANK-AWEZNQCLSA-N 1 1 359.426 3.303 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509715806 502974196 /nfs/dbraw/zinc/97/41/96/502974196.db2.gz PEJDKHXNMXODBS-YJBOKZPZSA-N 1 1 367.415 3.449 20 30 FGEDMO CC[N@@H+](CC(=O)NCCOc1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599940 502997545 /nfs/dbraw/zinc/99/75/45/502997545.db2.gz OGMHHVYAFNGGNL-INIZCTEOSA-N 1 1 369.440 3.275 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000505953800 503019924 /nfs/dbraw/zinc/01/99/24/503019924.db2.gz PIUGLBMSQOMGJK-CMKODMSKSA-N 1 1 369.509 3.439 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000489758955 503027205 /nfs/dbraw/zinc/02/72/05/503027205.db2.gz ZURKADDBKICVQV-NJYVYQBISA-N 1 1 368.525 3.446 20 30 FGEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000489758552 503027305 /nfs/dbraw/zinc/02/73/05/503027305.db2.gz NTDCHVLIXDZQFJ-CUDHKJQZSA-N 1 1 354.498 3.403 20 30 FGEDMO CCOC(=O)C(C)(C)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000510091711 503047227 /nfs/dbraw/zinc/04/72/27/503047227.db2.gz HQYWMIUZXQTAHC-HNNXBMFYSA-N 1 1 371.481 3.187 20 30 FGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H]2CCCOC2)c1C#N ZINC000510098067 503048710 /nfs/dbraw/zinc/04/87/10/503048710.db2.gz IWJHXUFYGKLRPJ-GOSISDBHSA-N 1 1 366.465 3.015 20 30 FGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@@H]2CCCOC2)c1C#N ZINC000510098067 503048713 /nfs/dbraw/zinc/04/87/13/503048713.db2.gz IWJHXUFYGKLRPJ-GOSISDBHSA-N 1 1 366.465 3.015 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000514003994 503065851 /nfs/dbraw/zinc/06/58/51/503065851.db2.gz YONSBTYNRROFGP-REWPJTCUSA-N 1 1 367.489 3.401 20 30 FGEDMO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000514224023 503117466 /nfs/dbraw/zinc/11/74/66/503117466.db2.gz WKFFFBKGXAFAIS-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000514224023 503117469 /nfs/dbraw/zinc/11/74/69/503117469.db2.gz WKFFFBKGXAFAIS-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO Cc1[nH+]ccn1CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000514243008 503123980 /nfs/dbraw/zinc/12/39/80/503123980.db2.gz PUOPQZNGROHKFW-UHFFFAOYSA-N 1 1 360.417 3.072 20 30 FGEDMO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000490322591 503153764 /nfs/dbraw/zinc/15/37/64/503153764.db2.gz OGVATQUGXZOUIR-CQSZACIVSA-N 1 1 350.422 3.148 20 30 FGEDMO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000490322591 503153769 /nfs/dbraw/zinc/15/37/69/503153769.db2.gz OGVATQUGXZOUIR-CQSZACIVSA-N 1 1 350.422 3.148 20 30 FGEDMO 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OKOCAWLPNSECPC-HXUWFJFHSA-N 1 1 363.436 3.120 20 30 FGEDMO C[C@]1(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000563233107 505082625 /nfs/dbraw/zinc/08/26/25/505082625.db2.gz DSBNYNWDEOVLCK-XJUOHMSHSA-N 1 1 359.473 3.443 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000560493796 505103058 /nfs/dbraw/zinc/10/30/58/505103058.db2.gz KLZWWLDORYVFHT-YPAWHYETSA-N 1 1 359.473 3.443 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000560493793 505103295 /nfs/dbraw/zinc/10/32/95/505103295.db2.gz KLZWWLDORYVFHT-BDTNDASRSA-N 1 1 359.473 3.443 20 30 FGEDMO C=CC[N@H+](Cc1sccc1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000560524078 505113813 /nfs/dbraw/zinc/11/38/13/505113813.db2.gz NWDKGIYXMVSORP-AWEZNQCLSA-N 1 1 355.467 3.482 20 30 FGEDMO CCNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000560587839 505134863 /nfs/dbraw/zinc/13/48/63/505134863.db2.gz DIRXDWVCOMLVFB-SFHVURJKSA-N 1 1 363.465 3.236 20 30 FGEDMO CC[C@@H](C)[N@@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000554288023 505136172 /nfs/dbraw/zinc/13/61/72/505136172.db2.gz UNPPQHFSZPSBLQ-CQSZACIVSA-N 1 1 363.527 3.310 20 30 FGEDMO COCCN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000566416289 505169429 /nfs/dbraw/zinc/16/94/29/505169429.db2.gz GIALPFSOFWWJIK-IBGZPJMESA-N 1 1 371.868 3.494 20 30 FGEDMO C=C(C)[C@@H](CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OCC ZINC000557647321 505192729 /nfs/dbraw/zinc/19/27/29/505192729.db2.gz ZDMMCECGEHWPNI-IRLDBZIGSA-N 1 1 356.510 3.482 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000557653797 505194321 /nfs/dbraw/zinc/19/43/21/505194321.db2.gz VMBSNTPYXYKNEO-BJLQDIEVSA-N 1 1 371.525 3.017 20 30 FGEDMO C=CCOc1cc(OC)ccc1-c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000566645959 505230992 /nfs/dbraw/zinc/23/09/92/505230992.db2.gz GZOGRNBAHCLIMJ-FXAWDEMLSA-N 1 1 371.437 3.236 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1OC ZINC000557837329 505243419 /nfs/dbraw/zinc/24/34/19/505243419.db2.gz KWVVVEIQJRWYAR-MRXNPFEDSA-N 1 1 358.482 3.206 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H](COC(F)F)C2)cc1OCCCC#N ZINC000566705544 505248859 /nfs/dbraw/zinc/24/88/59/505248859.db2.gz JVANLYJPODUXLK-OAHLLOKOSA-N 1 1 354.397 3.439 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(-c2ccncc2)n1 ZINC000566716484 505251864 /nfs/dbraw/zinc/25/18/64/505251864.db2.gz IKQAMGOVRXYNME-MOPGFXCFSA-N 1 1 365.481 3.107 20 30 FGEDMO C[N@@H+]1CC[C@@H](CNC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000557905912 505259901 /nfs/dbraw/zinc/25/99/01/505259901.db2.gz GOIFGHUDWFRBRP-KBXCAEBGSA-N 1 1 372.831 3.169 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2cnccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000557905912 505259906 /nfs/dbraw/zinc/25/99/06/505259906.db2.gz GOIFGHUDWFRBRP-KBXCAEBGSA-N 1 1 372.831 3.169 20 30 FGEDMO C=C(C)Cn1c(CC)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000563861244 505260093 /nfs/dbraw/zinc/26/00/93/505260093.db2.gz MTQBKKBIVNTUII-SFHVURJKSA-N 1 1 353.514 3.375 20 30 FGEDMO CCN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551651056 505274419 /nfs/dbraw/zinc/27/44/19/505274419.db2.gz TZPLYOULUZDSNH-LJQANCHMSA-N 1 1 351.425 3.434 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]([C@H](C)CO)C2CCCC2)c1C ZINC000558116138 505311571 /nfs/dbraw/zinc/31/15/71/505311571.db2.gz VAGLLFMLWAWKOC-QGZVFWFLSA-N 1 1 357.498 3.176 20 30 FGEDMO C[C@@H](NC(=O)NCC#Cc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000555144969 505363196 /nfs/dbraw/zinc/36/31/96/505363196.db2.gz HYIGDQNJPUPVLK-SJLPKXTDSA-N 1 1 357.473 3.129 20 30 FGEDMO N#Cc1ncc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000567131108 505372506 /nfs/dbraw/zinc/37/25/06/505372506.db2.gz CINMTGJPNIIYDZ-SJCJKPOMSA-N 1 1 359.861 3.087 20 30 FGEDMO C=CCn1c(COCC)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000564383425 505401162 /nfs/dbraw/zinc/40/11/62/505401162.db2.gz SBOVQKSBQCNJRI-ZWKOTPCHSA-N 1 1 369.513 3.100 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[C@@H]1c1ccccc1 ZINC000552399579 505482968 /nfs/dbraw/zinc/48/29/68/505482968.db2.gz QGRBZRMAZMHSRN-PMACEKPBSA-N 1 1 363.436 3.291 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000555686653 505491723 /nfs/dbraw/zinc/49/17/23/505491723.db2.gz XYTPLANTLZNNSC-PXNSSMCTSA-N 1 1 372.852 3.105 20 30 FGEDMO CC[N@@H+](C[C@H](O)COc1ccc2c(c1)OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000552579366 505517427 /nfs/dbraw/zinc/51/74/27/505517427.db2.gz FPKIMRALMCZVTB-QAPCUYQASA-N 1 1 368.433 3.110 20 30 FGEDMO C=CCC(CC=C)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000552637208 505525235 /nfs/dbraw/zinc/52/52/35/505525235.db2.gz PKZWWMUCGKGTBC-JOCHJYFZSA-N 1 1 367.537 3.174 20 30 FGEDMO N#Cc1ccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000562235718 505547221 /nfs/dbraw/zinc/54/72/21/505547221.db2.gz WGEYZCJINSLCNG-IBGZPJMESA-N 1 1 366.421 3.035 20 30 FGEDMO C=C(C)Cn1c(CCCc2cccs2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000559003014 505549799 /nfs/dbraw/zinc/54/97/99/505549799.db2.gz WCGZGMJDCVUWQV-UHFFFAOYSA-N 1 1 371.554 3.375 20 30 FGEDMO N#CC1(C[C@H](O)C[N@@H+](Cc2ccc(F)cc2F)C2CC2)CCOCC1 ZINC000599265102 506390274 /nfs/dbraw/zinc/39/02/74/506390274.db2.gz RCLKQVJPMMOHAD-KRWDZBQOSA-N 1 1 350.409 3.001 20 30 FGEDMO CC(C)[C@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588960524 506395555 /nfs/dbraw/zinc/39/55/55/506395555.db2.gz WUBWOIJBCLEPLW-LJQANCHMSA-N 1 1 357.479 3.056 20 30 FGEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588960524 506395563 /nfs/dbraw/zinc/39/55/63/506395563.db2.gz WUBWOIJBCLEPLW-LJQANCHMSA-N 1 1 357.479 3.056 20 30 FGEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000599294893 506401381 /nfs/dbraw/zinc/40/13/81/506401381.db2.gz SPXPBMFGKOSCBY-OALUTQOASA-N 1 1 354.475 3.088 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000596463247 506418715 /nfs/dbraw/zinc/41/87/15/506418715.db2.gz YXLBPNDQHLRTLF-SFHVURJKSA-N 1 1 350.422 3.220 20 30 FGEDMO CCc1ccc(C2=CC[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 ZINC000599346122 506421534 /nfs/dbraw/zinc/42/15/34/506421534.db2.gz YJAVWQIJYAGZBR-OAQYLSRUSA-N 1 1 354.494 3.409 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@H](CC#N)C1 ZINC000596485308 506428092 /nfs/dbraw/zinc/42/80/92/506428092.db2.gz GHKKXTNEZJGCEI-JYRKZWEQSA-N 1 1 368.525 3.478 20 30 FGEDMO CC[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000612099785 506434725 /nfs/dbraw/zinc/43/47/25/506434725.db2.gz JFQNRYHSILEKKY-PZJWPPBQSA-N 1 1 354.498 3.159 20 30 FGEDMO C[NH+](C)Cc1cc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)ccn1 ZINC000603142345 506436354 /nfs/dbraw/zinc/43/63/54/506436354.db2.gz JOPCDYFMTJTLSN-UHFFFAOYSA-N 1 1 361.449 3.336 20 30 FGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000599417594 506448664 /nfs/dbraw/zinc/44/86/64/506448664.db2.gz BAVSNMXWHCKBJZ-RLLQIKCJSA-N 1 1 372.509 3.236 20 30 FGEDMO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000599433877 506454904 /nfs/dbraw/zinc/45/49/04/506454904.db2.gz LYPKRJUGGWDQGL-UHFFFAOYSA-N 1 1 369.490 3.366 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000599516859 506483120 /nfs/dbraw/zinc/48/31/20/506483120.db2.gz YIFNROWGRZUTRG-IAGOWNOFSA-N 1 1 364.436 3.216 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(O)cc(C#N)c1 ZINC000589205325 506483741 /nfs/dbraw/zinc/48/37/41/506483741.db2.gz SDBUDIUMUDWWJW-HXUWFJFHSA-N 1 1 351.450 3.150 20 30 FGEDMO C[C@@H]([NH2+][C@H](C)c1cc(F)c(Br)cc1F)C(=O)N(C)CCC#N ZINC000599541366 506491435 /nfs/dbraw/zinc/49/14/35/506491435.db2.gz IRCNKCIJXCZFAA-NXEZZACHSA-N 1 1 374.229 3.138 20 30 FGEDMO C[C@H]1COCC[N@H+]1C1CCN(c2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000603404398 506504586 /nfs/dbraw/zinc/50/45/86/506504586.db2.gz XVDIFMRKJPSRJN-AWEZNQCLSA-N 1 1 370.884 3.449 20 30 FGEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000599629535 506538940 /nfs/dbraw/zinc/53/89/40/506538940.db2.gz ILKGLURTVMFBTL-GOSISDBHSA-N 1 1 356.445 3.050 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@](C)(C#N)C2)[C@H]1c1cccs1 ZINC000612373731 506549196 /nfs/dbraw/zinc/54/91/96/506549196.db2.gz ZPMGFKVIQKKBKF-AYBZRNKSSA-N 1 1 360.527 3.466 20 30 FGEDMO CCC(CC)[C@H](CNc1nc2c(cc1C#N)CCCC2)[NH+]1CCOCC1 ZINC000599658045 506559665 /nfs/dbraw/zinc/55/96/65/506559665.db2.gz MSLHKCNRVFCKFP-FQEVSTJZSA-N 1 1 356.514 3.381 20 30 FGEDMO CC[C@H](NC(=O)C(C#N)(CC)CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000599672519 506570134 /nfs/dbraw/zinc/57/01/34/506570134.db2.gz DXMNUPMHUQJHDL-RBUKOAKNSA-N 1 1 357.498 3.112 20 30 FGEDMO CC[C@H](NC(=O)C(C#N)(CC)CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000599672519 506570144 /nfs/dbraw/zinc/57/01/44/506570144.db2.gz DXMNUPMHUQJHDL-RBUKOAKNSA-N 1 1 357.498 3.112 20 30 FGEDMO Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCc4c(CC#N)cccc4C3)c2cc1C ZINC000599679447 506574279 /nfs/dbraw/zinc/57/42/79/506574279.db2.gz SIPIBDYQJKIGLS-FQEVSTJZSA-N 1 1 374.488 3.138 20 30 FGEDMO C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679160 506574636 /nfs/dbraw/zinc/57/46/36/506574636.db2.gz QDPNNYUPXMCWPE-OAHLLOKOSA-N 1 1 365.502 3.146 20 30 FGEDMO C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679160 506574643 /nfs/dbraw/zinc/57/46/43/506574643.db2.gz QDPNNYUPXMCWPE-OAHLLOKOSA-N 1 1 365.502 3.146 20 30 FGEDMO COC[C@H](C)[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCc2ccccc21 ZINC000599681432 506576665 /nfs/dbraw/zinc/57/66/65/506576665.db2.gz DPZFKXZKAQDOSE-DSKINZAPSA-N 1 1 372.509 3.082 20 30 FGEDMO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000599695260 506586066 /nfs/dbraw/zinc/58/60/66/506586066.db2.gz KOFZYRBGYRWOKM-DABQJJPHSA-N 1 1 365.271 3.483 20 30 FGEDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000599695260 506586071 /nfs/dbraw/zinc/58/60/71/506586071.db2.gz KOFZYRBGYRWOKM-DABQJJPHSA-N 1 1 365.271 3.483 20 30 FGEDMO C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@H](Cc2ccccc2)C1 ZINC000593398189 506599144 /nfs/dbraw/zinc/59/91/44/506599144.db2.gz BSVCVVIDYBVWCK-IFMALSPDSA-N 1 1 374.488 3.114 20 30 FGEDMO C[N@H+]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)[C@H](Cc2ccccc2)C1 ZINC000593398189 506599151 /nfs/dbraw/zinc/59/91/51/506599151.db2.gz BSVCVVIDYBVWCK-IFMALSPDSA-N 1 1 374.488 3.114 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@@H+](C)C(C)(C)C1 ZINC000583151787 506618186 /nfs/dbraw/zinc/61/81/86/506618186.db2.gz HYMDJUMZFBNFRI-CQSZACIVSA-N 1 1 374.554 3.242 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890106 506650533 /nfs/dbraw/zinc/65/05/33/506650533.db2.gz PTKZGPMMJSQBDG-UWJYYQICSA-N 1 1 352.482 3.402 20 30 FGEDMO COc1cc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c(F)cc1C#N ZINC000599811771 506651098 /nfs/dbraw/zinc/65/10/98/506651098.db2.gz DZFOOMWHDMMPAF-CQSZACIVSA-N 1 1 370.428 3.348 20 30 FGEDMO CCc1cccc2cc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@H]3C)oc21 ZINC000597028426 506738334 /nfs/dbraw/zinc/73/83/34/506738334.db2.gz YNBDKFMYEUAXCB-OAHLLOKOSA-N 1 1 361.449 3.368 20 30 FGEDMO CCc1cccc2cc(C[N@H+]3CCN(c4nccnc4C#N)C[C@H]3C)oc21 ZINC000597028426 506738337 /nfs/dbraw/zinc/73/83/37/506738337.db2.gz YNBDKFMYEUAXCB-OAHLLOKOSA-N 1 1 361.449 3.368 20 30 FGEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593724304 506748976 /nfs/dbraw/zinc/74/89/76/506748976.db2.gz XMINAVLREAHXJV-CYBMUJFWSA-N 1 1 366.303 3.100 20 30 FGEDMO C[C@@H]1CN(C(=O)Cc2ccc(C#N)nc2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000600070221 506763695 /nfs/dbraw/zinc/76/36/95/506763695.db2.gz HXJSSLATAWFRMQ-FGTMMUONSA-N 1 1 362.477 3.006 20 30 FGEDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CC(CC#N)C1 ZINC000600097898 506775424 /nfs/dbraw/zinc/77/54/24/506775424.db2.gz DUUFXLQJDVOEDG-VWNXMTODSA-N 1 1 373.500 3.448 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609110089 506778891 /nfs/dbraw/zinc/77/88/91/506778891.db2.gz XOYGDFSOAHCYNH-FXAWDEMLSA-N 1 1 368.525 3.154 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000609133366 506786457 /nfs/dbraw/zinc/78/64/57/506786457.db2.gz RNGMAHUQMZKKNJ-PSCUFVCCSA-N 1 1 369.509 3.112 20 30 FGEDMO C[NH+](C)C1(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000597129628 506792319 /nfs/dbraw/zinc/79/23/19/506792319.db2.gz PKBSVXDZVNASEF-UHFFFAOYSA-N 1 1 353.397 3.309 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc4ccccc4n3CC#N)CC2)c1 ZINC000609160288 506797917 /nfs/dbraw/zinc/79/79/17/506797917.db2.gz RHVBAUBKSOOMBY-UHFFFAOYSA-N 1 1 372.472 3.431 20 30 FGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](C(=O)NCc4ccccc4)C3)cc2)CC1 ZINC000597156062 506804643 /nfs/dbraw/zinc/80/46/43/506804643.db2.gz KSMNFCAVMBCPJA-HXUWFJFHSA-N 1 1 359.473 3.380 20 30 FGEDMO N#Cc1c(C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)cn2ccccc12 ZINC000604415796 506825916 /nfs/dbraw/zinc/82/59/16/506825916.db2.gz FISJTYSCXMVIOP-UHFFFAOYSA-N 1 1 364.493 3.472 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC000604415568 506826213 /nfs/dbraw/zinc/82/62/13/506826213.db2.gz PLWWBCLSYVMRCO-UHFFFAOYSA-N 1 1 366.303 3.422 20 30 FGEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000609280881 506832227 /nfs/dbraw/zinc/83/22/27/506832227.db2.gz UAZCPQIMTXYJBQ-FQEVSTJZSA-N 1 1 363.461 3.410 20 30 FGEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000609280881 506832235 /nfs/dbraw/zinc/83/22/35/506832235.db2.gz UAZCPQIMTXYJBQ-FQEVSTJZSA-N 1 1 363.461 3.410 20 30 FGEDMO Cc1cc(C)n(-c2ccc(-c3noc([C@H]([NH3+])CCCCC#N)n3)cn2)n1 ZINC000593944200 506840070 /nfs/dbraw/zinc/84/00/70/506840070.db2.gz UDBVBLQZRFAFPE-OAHLLOKOSA-N 1 1 351.414 3.018 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1 ZINC000604494808 506850698 /nfs/dbraw/zinc/85/06/98/506850698.db2.gz DHYRQAPKDZIEDR-UHFFFAOYSA-N 1 1 365.433 3.384 20 30 FGEDMO CC[N@@H+](CCOc1ccccc1OC)Cc1cnc2ccc(C#N)cn12 ZINC000597237306 506853296 /nfs/dbraw/zinc/85/32/96/506853296.db2.gz CZAJCEPJHBIQLY-UHFFFAOYSA-N 1 1 350.422 3.115 20 30 FGEDMO COc1ccc(C(C)C)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000593962639 506853693 /nfs/dbraw/zinc/85/36/93/506853693.db2.gz VIWSJABVSIWVGJ-INIZCTEOSA-N 1 1 365.481 3.191 20 30 FGEDMO COc1ccc(C(C)C)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000593962639 506853702 /nfs/dbraw/zinc/85/37/02/506853702.db2.gz VIWSJABVSIWVGJ-INIZCTEOSA-N 1 1 365.481 3.191 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520705 506859347 /nfs/dbraw/zinc/85/93/47/506859347.db2.gz FMKUOOKVHQXHCP-GIVPXCGWSA-N 1 1 357.498 3.141 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000609385194 506871820 /nfs/dbraw/zinc/87/18/20/506871820.db2.gz AQPVEKFPOSRDHA-JKSUJKDBSA-N 1 1 361.511 3.378 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000609385194 506871825 /nfs/dbraw/zinc/87/18/25/506871825.db2.gz AQPVEKFPOSRDHA-JKSUJKDBSA-N 1 1 361.511 3.378 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1Cl ZINC000590601917 506876407 /nfs/dbraw/zinc/87/64/07/506876407.db2.gz SUHNWPRUVPPQPQ-OAHLLOKOSA-N 1 1 354.841 3.425 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1Cl ZINC000590601917 506876410 /nfs/dbraw/zinc/87/64/10/506876410.db2.gz SUHNWPRUVPPQPQ-OAHLLOKOSA-N 1 1 354.841 3.425 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)c(OC(F)F)c1 ZINC000583611145 506877372 /nfs/dbraw/zinc/87/73/72/506877372.db2.gz WWMSGZZUSYICFI-INIZCTEOSA-N 1 1 363.408 3.137 20 30 FGEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c1 ZINC000594019069 506887599 /nfs/dbraw/zinc/88/75/99/506887599.db2.gz FIZYTSPNOMIQLE-UHFFFAOYSA-N 1 1 371.444 3.320 20 30 FGEDMO C=CCCCCCN(C)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1CC1CC1 ZINC000613079085 506896881 /nfs/dbraw/zinc/89/68/81/506896881.db2.gz BRABTHIBSBSQKN-MOPGFXCFSA-N 1 1 373.545 3.406 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597355169 506910448 /nfs/dbraw/zinc/91/04/48/506910448.db2.gz JJTIIAUMONIVLZ-JLTOFOAXSA-N 1 1 369.415 3.477 20 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ZINC000583899461 507039097 /nfs/dbraw/zinc/03/90/97/507039097.db2.gz QHCSZYYGRHLQBG-HRAATJIYSA-N 1 1 354.425 3.239 20 30 FGEDMO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000609909249 507047432 /nfs/dbraw/zinc/04/74/32/507047432.db2.gz YNFFLFPLUYHIKR-ZWKOTPCHSA-N 1 1 363.461 3.058 20 30 FGEDMO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000609909249 507047436 /nfs/dbraw/zinc/04/74/36/507047436.db2.gz YNFFLFPLUYHIKR-ZWKOTPCHSA-N 1 1 363.461 3.058 20 30 FGEDMO N#CC1(CC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000597670042 507055753 /nfs/dbraw/zinc/05/57/53/507055753.db2.gz INIVFMCFGOWEOF-HXUWFJFHSA-N 1 1 369.509 3.115 20 30 FGEDMO COc1ccc(C)cc1C[NH+]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000613411155 507074775 /nfs/dbraw/zinc/07/47/75/507074775.db2.gz FZWNTOCRKBKLNV-UHFFFAOYSA-N 1 1 366.421 3.106 20 30 FGEDMO COCCNc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1C#N ZINC000600788360 507120897 /nfs/dbraw/zinc/12/08/97/507120897.db2.gz IMVVEHGKPSJNGG-UHFFFAOYSA-N 1 1 351.450 3.116 20 30 FGEDMO C[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000610162720 507121212 /nfs/dbraw/zinc/12/12/12/507121212.db2.gz VBMMKCSKGGXHFG-OXJNMPFZSA-N 1 1 359.433 3.113 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](CCO)C2)c1C#N ZINC000610213737 507141023 /nfs/dbraw/zinc/14/10/23/507141023.db2.gz OWDXCCBZNODPQZ-KRWDZBQOSA-N 1 1 372.513 3.125 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](CCO)C2)c1C#N ZINC000610213737 507141032 /nfs/dbraw/zinc/14/10/32/507141032.db2.gz OWDXCCBZNODPQZ-KRWDZBQOSA-N 1 1 372.513 3.125 20 30 FGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610216810 507142794 /nfs/dbraw/zinc/14/27/94/507142794.db2.gz XRBWFNKLEPMISP-LEWJYISDSA-N 1 1 352.478 3.445 20 30 FGEDMO Cc1[nH+]cn(CCCCc2noc(CNc3ccc(C#N)cc3)n2)c1C ZINC000594534024 507175115 /nfs/dbraw/zinc/17/51/15/507175115.db2.gz FTZXUJDGQZDEOI-UHFFFAOYSA-N 1 1 350.426 3.390 20 30 FGEDMO CC[C@@H](C)[N@@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000584190214 507202066 /nfs/dbraw/zinc/20/20/66/507202066.db2.gz PBRRTFKRNPMFDT-CQSZACIVSA-N 1 1 360.502 3.123 20 30 FGEDMO C[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000610347693 507206077 /nfs/dbraw/zinc/20/60/77/507206077.db2.gz GFKSYVAEOXAUTL-HUUCEWRRSA-N 1 1 368.506 3.427 20 30 FGEDMO C[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000610347693 507206083 /nfs/dbraw/zinc/20/60/83/507206083.db2.gz GFKSYVAEOXAUTL-HUUCEWRRSA-N 1 1 368.506 3.427 20 30 FGEDMO N#Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc2ccc([N+](=O)[O-])cc12 ZINC000594604036 507206808 /nfs/dbraw/zinc/20/68/08/507206808.db2.gz XCOZGNAAEJORHC-MSOLQXFVSA-N 1 1 351.410 3.443 20 30 FGEDMO C[C@H]1C[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H](C)S1 ZINC000610370653 507217434 /nfs/dbraw/zinc/21/74/34/507217434.db2.gz KYCSHMLCMYRMKI-KBPBESRZSA-N 1 1 351.903 3.412 20 30 FGEDMO N#CC1(CNC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000591393986 507233343 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C=C1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000521743088 714145547 /nfs/dbraw/zinc/14/55/47/714145547.db2.gz AJWVCLNIWPAKMA-CQSZACIVSA-N 1 1 351.288 3.448 20 30 FGEDMO N#Cc1ccc(CNC(=O)NCC[NH+]2Cc3ccccc3C2)cc1Cl ZINC000619756967 714867316 /nfs/dbraw/zinc/86/73/16/714867316.db2.gz GUFFGJOFPLYDBP-UHFFFAOYSA-N 1 1 354.841 3.027 20 30 FGEDMO CC(C)CN1c2ccc(Br)cc2C(=NNc2cc[nH+]cc2)C1=O ZINC000779808365 724428293 /nfs/dbraw/zinc/42/82/93/724428293.db2.gz JPTBDVBCZIQGQH-UHFFFAOYSA-N 1 1 373.254 3.085 20 30 FGEDMO CN(c1ccccc1C=[NH+][N-]c1ncncc1Cl)C1CC[NH+](C)CC1 ZINC000780280874 724456439 /nfs/dbraw/zinc/45/64/39/724456439.db2.gz VNVNJBDJUGDYFM-UHFFFAOYSA-N 1 1 358.877 3.106 20 30 FGEDMO C=C(C)Cn1c(CC(F)(F)F)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000647408838 718355478 /nfs/dbraw/zinc/35/54/78/718355478.db2.gz WPUHOQMBDZWPEH-KBPBESRZSA-N 1 1 359.440 3.126 20 30 FGEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000648073083 718397718 /nfs/dbraw/zinc/39/77/18/718397718.db2.gz AXJCDTVNPWBRNE-CYBMUJFWSA-N 1 1 372.284 3.345 20 30 FGEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000648073083 718397721 /nfs/dbraw/zinc/39/77/21/718397721.db2.gz AXJCDTVNPWBRNE-CYBMUJFWSA-N 1 1 372.284 3.345 20 30 FGEDMO N#Cc1nc(Cl)cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629812 719064698 /nfs/dbraw/zinc/06/46/98/719064698.db2.gz ZGUXFIRWKOGTRH-DOTOQJQBSA-N 1 1 353.857 3.102 20 30 FGEDMO C=CCCn1cc(C[NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)nn1 ZINC000657288980 719618961 /nfs/dbraw/zinc/61/89/61/719618961.db2.gz CNEOJQXBQHSHEG-SFHVURJKSA-N 1 1 359.543 3.479 20 30 FGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1 ZINC000661378245 720237885 /nfs/dbraw/zinc/23/78/85/720237885.db2.gz BBMPSNFSJLIAME-OAHLLOKOSA-N 1 1 363.889 3.025 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000662082038 720373218 /nfs/dbraw/zinc/37/32/18/720373218.db2.gz WYTVNDAUZMKZIR-GASCZTMLSA-N 1 1 370.312 3.406 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCS(=O)(=O)c1ccc(Br)cc1 ZINC000662082038 720373223 /nfs/dbraw/zinc/37/32/23/720373223.db2.gz WYTVNDAUZMKZIR-GASCZTMLSA-N 1 1 370.312 3.406 20 30 FGEDMO C[NH+]1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 ZINC000665058833 720727154 /nfs/dbraw/zinc/72/71/54/720727154.db2.gz DBXISACHUXNJNZ-UHFFFAOYSA-N 1 1 372.284 3.364 20 30 FGEDMO N#Cc1cnc(Cl)cc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900534 721514646 /nfs/dbraw/zinc/51/46/46/721514646.db2.gz RWOZQSIGTMQWOA-WBVHZDCISA-N 1 1 372.831 3.088 20 30 FGEDMO N#Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164901778 721514720 /nfs/dbraw/zinc/51/47/20/721514720.db2.gz YPHJEVDXTRSUMR-RDJZCZTQSA-N 1 1 372.831 3.088 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](CCCO)C2CC2)cc1OC ZINC000678263333 721947760 /nfs/dbraw/zinc/94/77/60/721947760.db2.gz HLMBZKMUESZBFK-UHFFFAOYSA-N 1 1 370.287 3.369 20 30 FGEDMO N#Cc1ccnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1F ZINC001164996747 722199496 /nfs/dbraw/zinc/19/94/96/722199496.db2.gz WGIRZDBRFQVOSE-HXUWFJFHSA-N 1 1 354.404 3.476 20 30 FGEDMO C#Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000728858787 722454863 /nfs/dbraw/zinc/45/48/63/722454863.db2.gz WOVXTSOVTWGIET-UHFFFAOYSA-N 1 1 353.853 3.064 20 30 FGEDMO C#Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000728858787 722454864 /nfs/dbraw/zinc/45/48/64/722454864.db2.gz WOVXTSOVTWGIET-UHFFFAOYSA-N 1 1 353.853 3.064 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1sc(Cc2ccccc2)nc1C ZINC000729811726 722462763 /nfs/dbraw/zinc/46/27/63/722462763.db2.gz BDIMMKJVYQNKIK-KRWDZBQOSA-N 1 1 354.475 3.297 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1sc(Cc2ccccc2)nc1C ZINC000729811726 722462764 /nfs/dbraw/zinc/46/27/64/722462764.db2.gz BDIMMKJVYQNKIK-KRWDZBQOSA-N 1 1 354.475 3.297 20 30 FGEDMO CCS[C@@H]1CCCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000732569519 722486098 /nfs/dbraw/zinc/48/60/98/722486098.db2.gz PHRXHOFTSGJXJN-OAHLLOKOSA-N 1 1 356.495 3.028 20 30 FGEDMO CCS[C@@H]1CCCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000732569519 722486099 /nfs/dbraw/zinc/48/60/99/722486099.db2.gz PHRXHOFTSGJXJN-OAHLLOKOSA-N 1 1 356.495 3.028 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)NC1CCCCC1 ZINC000734361378 722506444 /nfs/dbraw/zinc/50/64/44/722506444.db2.gz BXTDYDABGBIMEO-HNNXBMFYSA-N 1 1 359.543 3.076 20 30 FGEDMO C#Cc1cccc(NC(=S)N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)c1 ZINC000734386639 722506923 /nfs/dbraw/zinc/50/69/23/722506923.db2.gz JVSFFPDOWJWBJV-LPHOPBHVSA-N 1 1 359.539 3.091 20 30 FGEDMO C[C@@H]1CC(=NNC(=S)Nc2cccc(Br)c2)CC[N@H+]1C ZINC000741458904 722546110 /nfs/dbraw/zinc/54/61/10/722546110.db2.gz QLGQWAGYCAROPB-SNVBAGLBSA-N 1 1 355.305 3.206 20 30 FGEDMO C=CCn1c(C)nn(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1=S ZINC000743378426 722566394 /nfs/dbraw/zinc/56/63/94/722566394.db2.gz XRUQTCPJJZXHID-SFHVURJKSA-N 1 1 357.527 3.072 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000746348185 722599440 /nfs/dbraw/zinc/59/94/40/722599440.db2.gz XQZOKECUPRYXHG-PBHICJAKSA-N 1 1 352.400 3.413 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000746348185 722599441 /nfs/dbraw/zinc/59/94/41/722599441.db2.gz XQZOKECUPRYXHG-PBHICJAKSA-N 1 1 352.400 3.413 20 30 FGEDMO C=C(Cl)CNC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000747974934 722670165 /nfs/dbraw/zinc/67/01/65/722670165.db2.gz WRFACSDCTCRQLI-KBXCAEBGSA-N 1 1 364.921 3.384 20 30 FGEDMO C=C(Cl)CNC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000747974934 722670166 /nfs/dbraw/zinc/67/01/66/722670166.db2.gz WRFACSDCTCRQLI-KBXCAEBGSA-N 1 1 364.921 3.384 20 30 FGEDMO Clc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)ccc1Br ZINC000754965266 722948359 /nfs/dbraw/zinc/94/83/59/722948359.db2.gz XPGOVXLKAQPLEW-STQMWFEESA-N 1 1 355.667 3.296 20 30 FGEDMO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000757891810 722980864 /nfs/dbraw/zinc/98/08/64/722980864.db2.gz QHZKMKHQSLNJCH-SFHVURJKSA-N 1 1 365.543 3.406 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1O ZINC000762511315 723249955 /nfs/dbraw/zinc/24/99/55/723249955.db2.gz YOBAWIVIBNGSDX-CYBMUJFWSA-N 1 1 358.404 3.198 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)c1O ZINC000762511315 723249958 /nfs/dbraw/zinc/24/99/58/723249958.db2.gz YOBAWIVIBNGSDX-CYBMUJFWSA-N 1 1 358.404 3.198 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544716 723941829 /nfs/dbraw/zinc/94/18/29/723941829.db2.gz RKICHIAQDPVJCI-FHLIZLRMSA-N 1 1 365.880 3.429 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)[C@@H]1CCCO1 ZINC000775791543 724062522 /nfs/dbraw/zinc/06/25/22/724062522.db2.gz VXIOHBBSAYJNGK-SJORKVTESA-N 1 1 372.266 3.177 20 30 FGEDMO C#CCC[NH+]1CCN([C@@H](C)c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000776594475 724163522 /nfs/dbraw/zinc/16/35/22/724163522.db2.gz IUNLWQCQLDJZBX-HNNXBMFYSA-N 1 1 358.873 3.016 20 30 FGEDMO C#CCNC(=S)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000776728408 724174887 /nfs/dbraw/zinc/17/48/87/724174887.db2.gz CYBSQXIYERHMCF-HOTGVXAUSA-N 1 1 353.894 3.100 20 30 FGEDMO C#CCNC(=S)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000776728408 724174890 /nfs/dbraw/zinc/17/48/90/724174890.db2.gz CYBSQXIYERHMCF-HOTGVXAUSA-N 1 1 353.894 3.100 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000801914923 724344768 /nfs/dbraw/zinc/34/47/68/724344768.db2.gz HOIITFUKAJGCAE-IKGGRYGDSA-N 1 1 351.491 3.027 20 30 FGEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000785469939 724914892 /nfs/dbraw/zinc/91/48/92/724914892.db2.gz XOMNFPOICMBGID-ZDUSSCGKSA-N 1 1 363.259 3.153 20 30 FGEDMO N#Cc1sc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)nc1Cl ZINC000787891269 725040220 /nfs/dbraw/zinc/04/02/20/725040220.db2.gz AWBMZOCUGHNGHF-UHFFFAOYSA-N 1 1 365.865 3.041 20 30 FGEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Br)cc1C#N ZINC000805458840 725073575 /nfs/dbraw/zinc/07/35/75/725073575.db2.gz BAHSKVZIKXODOS-OAHLLOKOSA-N 1 1 351.244 3.238 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(Br)cc1C#N ZINC000805458840 725073577 /nfs/dbraw/zinc/07/35/77/725073577.db2.gz BAHSKVZIKXODOS-OAHLLOKOSA-N 1 1 351.244 3.238 20 30 FGEDMO N#CCSCCCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000805571771 725080772 /nfs/dbraw/zinc/08/07/72/725080772.db2.gz KMTPYMDAGMNEBS-INIZCTEOSA-N 1 1 368.449 3.334 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000805752216 725091559 /nfs/dbraw/zinc/09/15/59/725091559.db2.gz ASYFVTGPWDWHCL-SFHVURJKSA-N 1 1 357.841 3.428 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000805752216 725091560 /nfs/dbraw/zinc/09/15/60/725091560.db2.gz ASYFVTGPWDWHCL-SFHVURJKSA-N 1 1 357.841 3.428 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1F ZINC000805778492 725094579 /nfs/dbraw/zinc/09/45/79/725094579.db2.gz CLXXPYKKSHYRLW-SUMWQHHRSA-N 1 1 351.853 3.185 20 30 FGEDMO CC(=NNCCC[NH+]1CCOCC1)c1ccc(OC(C)C)c(Cl)c1 ZINC000789059410 725106209 /nfs/dbraw/zinc/10/62/09/725106209.db2.gz BQZHWNIPEAWYNR-UHFFFAOYSA-N 1 1 353.894 3.163 20 30 FGEDMO CC(=[NH+]NCCc1ccncc1)c1ccc(N2CCOCC2)cc1Cl ZINC000789086065 725108473 /nfs/dbraw/zinc/10/84/73/725108473.db2.gz PWSLCKIGXLHFBL-UHFFFAOYSA-N 1 1 358.873 3.128 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000809697331 725259699 /nfs/dbraw/zinc/25/96/99/725259699.db2.gz DYBRCBPEQRHEEN-DOTOQJQBSA-N 1 1 355.404 3.029 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000813067655 726835112 /nfs/dbraw/zinc/83/51/12/726835112.db2.gz QOQSXJQJUVEBMG-XJKSGUPXSA-N 1 1 350.256 3.193 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](OCC)[C@H]1n1cccn1 ZINC000815167214 727047394 /nfs/dbraw/zinc/04/73/94/727047394.db2.gz UXHDBNRAZQNONN-QRQLOZEOSA-N 1 1 359.857 3.057 20 30 FGEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000818178022 727299748 /nfs/dbraw/zinc/29/97/48/727299748.db2.gz PDPJKCCGVAPQNC-SFHVURJKSA-N 1 1 350.384 3.001 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000818595618 727315799 /nfs/dbraw/zinc/31/57/99/727315799.db2.gz FFNWLLYGFLEQFL-INIZCTEOSA-N 1 1 354.416 3.345 20 30 FGEDMO C#Cc1ccccc1CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000819678448 727387833 /nfs/dbraw/zinc/38/78/33/727387833.db2.gz MLNVFGIMHHGCEB-UHFFFAOYSA-N 1 1 353.491 3.462 20 30 FGEDMO C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc(Cl)cc1F ZINC000820744785 729024881 /nfs/dbraw/zinc/02/48/81/729024881.db2.gz KPJGRUMUJJUNEN-AFAVFJNCSA-N 1 1 351.853 3.135 20 30 FGEDMO C#C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1F ZINC000820750162 729025628 /nfs/dbraw/zinc/02/56/28/729025628.db2.gz LHEDFJSPXASICE-PKOBYXMFSA-N 1 1 363.864 3.281 20 30 FGEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2ccc(F)c(Br)c2)no1 ZINC000822947139 729235111 /nfs/dbraw/zinc/23/51/11/729235111.db2.gz OKFASKXQQIYXPL-LBPRGKRZSA-N 1 1 353.195 3.256 20 30 FGEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2cn3cc(Cl)cc(Cl)c3n2)no1 ZINC000822956880 729237028 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CC(C)[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCC1 ZINC000119746462 495232320 /nfs/dbraw/zinc/23/23/20/495232320.db2.gz SEALZWXIEOTEQB-UHFFFAOYSA-N 1 1 352.400 3.436 20 30 FGEDMO C=C(C)COCCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000135022685 495240068 /nfs/dbraw/zinc/24/00/68/495240068.db2.gz SGXYZRHZOQTTPK-UHFFFAOYSA-N 1 1 359.514 3.133 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OCC(C)C)C2)c1C ZINC000119876012 495260357 /nfs/dbraw/zinc/26/03/57/495260357.db2.gz ZXAWFNKKSPPHHR-IBGZPJMESA-N 1 1 357.498 3.297 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OCC(C)C)C2)c1C ZINC000119876012 495260359 /nfs/dbraw/zinc/26/03/59/495260359.db2.gz ZXAWFNKKSPPHHR-IBGZPJMESA-N 1 1 357.498 3.297 20 30 FGEDMO COCC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1ccc(C#N)cc1 ZINC000124396830 495280921 /nfs/dbraw/zinc/28/09/21/495280921.db2.gz YGZDGXIOXJNUEL-UHFFFAOYSA-N 1 1 350.422 3.498 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1Cl ZINC000113267334 495291142 /nfs/dbraw/zinc/29/11/42/495291142.db2.gz ZJYLWVRUFDYTOW-FUHWJXTLSA-N 1 1 374.916 3.064 20 30 FGEDMO C=CCOc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1 ZINC000104864223 495311444 /nfs/dbraw/zinc/31/14/44/495311444.db2.gz YBKZJSGFWJWUFB-NRFANRHFSA-N 1 1 366.461 3.388 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCOc1ccccc1 ZINC000105169442 495342587 /nfs/dbraw/zinc/34/25/87/495342587.db2.gz CMPDQBLMAXAEMP-GOSISDBHSA-N 1 1 351.450 3.333 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCOc1ccccc1 ZINC000105169442 495342590 /nfs/dbraw/zinc/34/25/90/495342590.db2.gz CMPDQBLMAXAEMP-GOSISDBHSA-N 1 1 351.450 3.333 20 30 FGEDMO CCCCCCCCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000125012555 495377836 /nfs/dbraw/zinc/37/78/36/495377836.db2.gz DRCVFDOFEOJDEU-UHFFFAOYSA-N 1 1 371.485 3.381 20 30 FGEDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)c1 ZINC000120563741 495406010 /nfs/dbraw/zinc/40/60/10/495406010.db2.gz MRBUFAFABIVIJF-FQEVSTJZSA-N 1 1 368.477 3.412 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000125316624 495425502 /nfs/dbraw/zinc/42/55/02/495425502.db2.gz FFEHMFPPIZYRNQ-UHFFFAOYSA-N 1 1 365.481 3.075 20 30 FGEDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CC#Cc2ccc(C(F)(F)F)cc2)CN1 ZINC000125338828 495428476 /nfs/dbraw/zinc/42/84/76/495428476.db2.gz CDVHAOBDQAJUJS-WBVHZDCISA-N 1 1 350.384 3.048 20 30 FGEDMO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1cccc(C#N)c1 ZINC000130787251 495445868 /nfs/dbraw/zinc/44/58/68/495445868.db2.gz AEDOAFGTVIIFPB-UHFFFAOYSA-N 1 1 360.417 3.352 20 30 FGEDMO C=CCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000130923560 495466671 /nfs/dbraw/zinc/46/66/71/495466671.db2.gz ZVEJOXUMYRDKTM-OAQYLSRUSA-N 1 1 372.557 3.361 20 30 FGEDMO C=CCC[C@@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000130923560 495466674 /nfs/dbraw/zinc/46/66/74/495466674.db2.gz ZVEJOXUMYRDKTM-OAQYLSRUSA-N 1 1 372.557 3.361 20 30 FGEDMO C=CCC[C@@H](NC(=O)N1CC[NH+](CCOC(C)C)CC1)c1ccccc1 ZINC000131038731 495483391 /nfs/dbraw/zinc/48/33/91/495483391.db2.gz BYVRTLRHLHZVKO-HXUWFJFHSA-N 1 1 359.514 3.446 20 30 FGEDMO CC(C)[NH+]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000115329574 495490924 /nfs/dbraw/zinc/49/09/24/495490924.db2.gz PNZHSPVTEJJYER-UHFFFAOYSA-N 1 1 363.461 3.303 20 30 FGEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000115433917 495503873 /nfs/dbraw/zinc/50/38/73/495503873.db2.gz JFGFGOZPDKIGPO-KRWDZBQOSA-N 1 1 367.449 3.144 20 30 FGEDMO CC(C)(C)c1ccc(OCC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115595496 495520488 /nfs/dbraw/zinc/52/04/88/495520488.db2.gz MZOMHGJFTILGNB-IBGZPJMESA-N 1 1 351.450 3.051 20 30 FGEDMO C[N@@H+](C[C@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000577785724 505791902 /nfs/dbraw/zinc/79/19/02/505791902.db2.gz ZNPIEVSOVUHHKP-QFIPXVFZSA-N 1 1 367.468 3.155 20 30 FGEDMO CCc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000159285059 495700965 /nfs/dbraw/zinc/70/09/65/495700965.db2.gz AYKWWDKGPJIUST-UHFFFAOYSA-N 1 1 361.489 3.398 20 30 FGEDMO Cc1sc(NC(=O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185754639 495712538 /nfs/dbraw/zinc/71/25/38/495712538.db2.gz AZFBOWHFVLZUSP-HOCLYGCPSA-N 1 1 374.554 3.418 20 30 FGEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000171136594 495738702 /nfs/dbraw/zinc/73/87/02/495738702.db2.gz VZSMFJQIQXNPAK-UHFFFAOYSA-N 1 1 365.481 3.464 20 30 FGEDMO C=CCOc1ccc(C[NH2+]Cc2nc3cc(OC)ccc3n2C)cc1OC ZINC000185841211 495745749 /nfs/dbraw/zinc/74/57/49/495745749.db2.gz RAUHURFNILJEGW-UHFFFAOYSA-N 1 1 367.449 3.445 20 30 FGEDMO COCC[N@H+](Cc1ccco1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179939238 495792355 /nfs/dbraw/zinc/79/23/55/495792355.db2.gz XHNDPBZGDKLCQJ-UHFFFAOYSA-N 1 1 350.422 3.200 20 30 FGEDMO COCC[N@@H+](Cc1ccco1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179939238 495792362 /nfs/dbraw/zinc/79/23/62/495792362.db2.gz XHNDPBZGDKLCQJ-UHFFFAOYSA-N 1 1 350.422 3.200 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000179978543 495809149 /nfs/dbraw/zinc/80/91/49/495809149.db2.gz RFYVMVOULYDVBC-VWLOTQADSA-N 1 1 355.507 3.406 20 30 FGEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174094961 495818312 /nfs/dbraw/zinc/81/83/12/495818312.db2.gz VKASZLDEQDZNGC-LBPRGKRZSA-N 1 1 354.376 3.383 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000186024199 495825224 /nfs/dbraw/zinc/82/52/24/495825224.db2.gz MNIAXOWHAZWTBT-LPHOPBHVSA-N 1 1 358.449 3.386 20 30 FGEDMO C[C@@H](Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1cccc(C#N)c1 ZINC000180021305 495825952 /nfs/dbraw/zinc/82/59/52/495825952.db2.gz BLOUOWUZRCWIMJ-QGZVFWFLSA-N 1 1 362.477 3.048 20 30 FGEDMO CCN(CC)C(=O)C[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000155093671 495833464 /nfs/dbraw/zinc/83/34/64/495833464.db2.gz SOPYOKQWLOCFPO-UHFFFAOYSA-N 1 1 365.477 3.437 20 30 FGEDMO CCN(CC)C(=O)C[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000155093671 495833467 /nfs/dbraw/zinc/83/34/67/495833467.db2.gz SOPYOKQWLOCFPO-UHFFFAOYSA-N 1 1 365.477 3.437 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)cc1 ZINC000155134216 495848519 /nfs/dbraw/zinc/84/85/19/495848519.db2.gz JTWGIJSLGQMAGJ-SJORKVTESA-N 1 1 351.922 3.104 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171387171 495851183 /nfs/dbraw/zinc/85/11/83/495851183.db2.gz DCCQBLZOKBKVQS-LVIWNVNYSA-N 1 1 374.573 3.114 20 30 FGEDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000155237481 495887085 /nfs/dbraw/zinc/88/70/85/495887085.db2.gz BVPVBGGTUSFELL-CALCHBBNSA-N 1 1 363.461 3.302 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000180168506 495889765 /nfs/dbraw/zinc/88/97/65/495889765.db2.gz XGLHOWMANORSON-WOJBJXKFSA-N 1 1 363.461 3.277 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](Oc4cccc(F)c4)C3)o2)cc1 ZINC000183354197 495943897 /nfs/dbraw/zinc/94/38/97/495943897.db2.gz NFXCOJQVVVDXBW-SFHVURJKSA-N 1 1 364.380 3.401 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4cccc(F)c4)C3)o2)cc1 ZINC000183354197 495943898 /nfs/dbraw/zinc/94/38/98/495943898.db2.gz NFXCOJQVVVDXBW-SFHVURJKSA-N 1 1 364.380 3.401 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](c3cc[nH]n3)C1)CCC2 ZINC000171630614 495956558 /nfs/dbraw/zinc/95/65/58/495956558.db2.gz VVPWISPCCJVNRK-ZDUSSCGKSA-N 1 1 369.494 3.040 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151831050 495961436 /nfs/dbraw/zinc/96/14/36/495961436.db2.gz YEKKXRSDUXAKNR-GJZGRUSLSA-N 1 1 359.451 3.129 20 30 FGEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)nc1 ZINC000174602292 496029168 /nfs/dbraw/zinc/02/91/68/496029168.db2.gz FAKPAORITIOIKO-KRWDZBQOSA-N 1 1 373.460 3.365 20 30 FGEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)nc1 ZINC000174602292 496029174 /nfs/dbraw/zinc/02/91/74/496029174.db2.gz FAKPAORITIOIKO-KRWDZBQOSA-N 1 1 373.460 3.365 20 30 FGEDMO CC[N@@H+](CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000152075569 496040317 /nfs/dbraw/zinc/04/03/17/496040317.db2.gz GDQRIYRAEMUYPR-NRFANRHFSA-N 1 1 363.461 3.431 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180554619 496042594 /nfs/dbraw/zinc/04/25/94/496042594.db2.gz GUQWKNWHESQQHB-GDBMZVCRSA-N 1 1 359.367 3.463 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1C ZINC000574634111 505820229 /nfs/dbraw/zinc/82/02/29/505820229.db2.gz JHJWMHCWXMPFAX-TZIWHRDSSA-N 1 1 369.509 3.441 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cn1 ZINC000152183932 496073916 /nfs/dbraw/zinc/07/39/16/496073916.db2.gz WDDUWWVELYWPOX-UHFFFAOYSA-N 1 1 361.405 3.244 20 30 FGEDMO N#Cc1cccc(NCC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000155821449 496078844 /nfs/dbraw/zinc/07/88/44/496078844.db2.gz YVRFMHRRKSVZIK-UHFFFAOYSA-N 1 1 366.490 3.158 20 30 FGEDMO N#Cc1cccc(NCC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000155842200 496084737 /nfs/dbraw/zinc/08/47/37/496084737.db2.gz WQBOTVTUTXBFQX-QGZVFWFLSA-N 1 1 368.506 3.060 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000156004495 496131417 /nfs/dbraw/zinc/13/14/17/496131417.db2.gz NZUDVCKMBBMHDL-HXUWFJFHSA-N 1 1 366.461 3.219 20 30 FGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174858445 496135974 /nfs/dbraw/zinc/13/59/74/496135974.db2.gz CIIRBQAMCISGBF-WOJBJXKFSA-N 1 1 353.466 3.363 20 30 FGEDMO Cc1cc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n(C(C)(C)C)n1 ZINC000172072118 496152067 /nfs/dbraw/zinc/15/20/67/496152067.db2.gz LSLBECKBMNENFA-UHFFFAOYSA-N 1 1 365.481 3.421 20 30 FGEDMO Cc1cc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n(C(C)(C)C)n1 ZINC000172072118 496152073 /nfs/dbraw/zinc/15/20/73/496152073.db2.gz LSLBECKBMNENFA-UHFFFAOYSA-N 1 1 365.481 3.421 20 30 FGEDMO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000172151952 496186071 /nfs/dbraw/zinc/18/60/71/496186071.db2.gz FQZKCERSYUVAHJ-QFBILLFUSA-N 1 1 363.465 3.294 20 30 FGEDMO N#Cc1cccc(OCCC[N@@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000156367612 496225916 /nfs/dbraw/zinc/22/59/16/496225916.db2.gz ZXMBPDAVGLPPGZ-UHFFFAOYSA-N 1 1 369.490 3.237 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@H](C)CC#N)c1C#N ZINC000161765088 496234330 /nfs/dbraw/zinc/23/43/30/496234330.db2.gz HLSHOYRBSQIBNZ-CQSZACIVSA-N 1 1 367.453 3.181 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)[C@H](C)CC#N)c1C#N ZINC000161765088 496234334 /nfs/dbraw/zinc/23/43/34/496234334.db2.gz HLSHOYRBSQIBNZ-CQSZACIVSA-N 1 1 367.453 3.181 20 30 FGEDMO N#Cc1ccc2ncc(C[NH2+]C3CCN(CCc4ccccc4)CC3)n2c1 ZINC000172338608 496259461 /nfs/dbraw/zinc/25/94/61/496259461.db2.gz MEQUOTAJMWZSSC-UHFFFAOYSA-N 1 1 359.477 3.003 20 30 FGEDMO N#Cc1ccc(CSCC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000172415964 496289617 /nfs/dbraw/zinc/28/96/17/496289617.db2.gz XZRVEPFBWIHJSJ-UHFFFAOYSA-N 1 1 357.523 3.268 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000156740671 496323918 /nfs/dbraw/zinc/32/39/18/496323918.db2.gz ZCNVGBHTVBFUIM-KRWDZBQOSA-N 1 1 374.893 3.475 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000156740671 496323921 /nfs/dbraw/zinc/32/39/21/496323921.db2.gz ZCNVGBHTVBFUIM-KRWDZBQOSA-N 1 1 374.893 3.475 20 30 FGEDMO N#Cc1ccc(C[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000178091317 496326633 /nfs/dbraw/zinc/32/66/33/496326633.db2.gz YYNVVSATAOPRBJ-LJQANCHMSA-N 1 1 361.445 3.444 20 30 FGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000184315434 496331053 /nfs/dbraw/zinc/33/10/53/496331053.db2.gz JJDYHHGUSPYNBR-INIZCTEOSA-N 1 1 364.449 3.157 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc2ccccc2n1C ZINC000162308232 496333772 /nfs/dbraw/zinc/33/37/72/496333772.db2.gz KFTVIZKXRWDEKT-KXBFYZLASA-N 1 1 373.460 3.291 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172584510 496352112 /nfs/dbraw/zinc/35/21/12/496352112.db2.gz FZBJCMLOEZGFEJ-HNNXBMFYSA-N 1 1 374.916 3.489 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000580789341 505838975 /nfs/dbraw/zinc/83/89/75/505838975.db2.gz OJHVNAONBJQOBU-GOSISDBHSA-N 1 1 360.417 3.116 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000153289912 496410671 /nfs/dbraw/zinc/41/06/71/496410671.db2.gz IVZXLBJCVAKAMP-UHFFFAOYSA-N 1 1 370.844 3.237 20 30 FGEDMO N#Cc1ccc(SCC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000153406865 496445364 /nfs/dbraw/zinc/44/53/64/496445364.db2.gz XLBJDHAZKHZMTD-LPHOPBHVSA-N 1 1 355.507 3.126 20 30 FGEDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccn3Cc3ccccc3C#N)[C@@H]2C1 ZINC000187476759 496457931 /nfs/dbraw/zinc/45/79/31/496457931.db2.gz LVKYTSMAXUUGSW-VSKRKVRLSA-N 1 1 365.477 3.176 20 30 FGEDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccn3Cc3ccccc3C#N)[C@@H]2C1 ZINC000187476759 496457936 /nfs/dbraw/zinc/45/79/36/496457936.db2.gz LVKYTSMAXUUGSW-VSKRKVRLSA-N 1 1 365.477 3.176 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000187662120 496525667 /nfs/dbraw/zinc/52/56/67/496525667.db2.gz PHHSKOODJNGIRR-MRXNPFEDSA-N 1 1 372.490 3.424 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000175843051 496568948 /nfs/dbraw/zinc/56/89/48/496568948.db2.gz BRFDXCKXFBKVCA-IRXDYDNUSA-N 1 1 355.463 3.146 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000175843051 496568955 /nfs/dbraw/zinc/56/89/55/496568955.db2.gz BRFDXCKXFBKVCA-IRXDYDNUSA-N 1 1 355.463 3.146 20 30 FGEDMO CC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC000187796047 496576256 /nfs/dbraw/zinc/57/62/56/496576256.db2.gz XGPJUSKNTWPBCM-HNNXBMFYSA-N 1 1 362.520 3.347 20 30 FGEDMO CC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC000187796047 496576261 /nfs/dbraw/zinc/57/62/61/496576261.db2.gz XGPJUSKNTWPBCM-HNNXBMFYSA-N 1 1 362.520 3.347 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1ccco1 ZINC000185079029 496649471 /nfs/dbraw/zinc/64/94/71/496649471.db2.gz FCIUGISUNWFLRE-LSDHHAIUSA-N 1 1 373.478 3.183 20 30 FGEDMO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1nc(-c2cccc(F)c2)no1 ZINC000185087272 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SJDJUWMDXUWQTC-JXFKEZNVSA-N 1 1 355.482 3.069 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000278465855 497124159 /nfs/dbraw/zinc/12/41/59/497124159.db2.gz PREBKPXOGOQFSV-IBGZPJMESA-N 1 1 353.466 3.066 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000278465855 497124165 /nfs/dbraw/zinc/12/41/65/497124165.db2.gz PREBKPXOGOQFSV-IBGZPJMESA-N 1 1 353.466 3.066 20 30 FGEDMO CO/N=C/c1ccc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000278604683 497165012 /nfs/dbraw/zinc/16/50/12/497165012.db2.gz JJHBCPZJWNWOTH-HYARGMPZSA-N 1 1 353.422 3.054 20 30 FGEDMO CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)C1(C#N)CCC1 ZINC000249324923 497192587 /nfs/dbraw/zinc/19/25/87/497192587.db2.gz RSXZQBRURVUXDQ-HZPDHXFCSA-N 1 1 365.399 3.202 20 30 FGEDMO N#Cc1c(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cn2ccccc12 ZINC000274994211 497213771 /nfs/dbraw/zinc/21/37/71/497213771.db2.gz OQDJBMNGHMSOTP-UHFFFAOYSA-N 1 1 360.465 3.118 20 30 FGEDMO COC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C#N)n1 ZINC000581022501 505892727 /nfs/dbraw/zinc/89/27/27/505892727.db2.gz XDTRKLQHODTJAN-RDJZCZTQSA-N 1 1 364.449 3.205 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000249689538 497233222 /nfs/dbraw/zinc/23/32/22/497233222.db2.gz WRGADAJNKWXPMV-QZTJIDSGSA-N 1 1 365.481 3.233 20 30 FGEDMO N#CC(CC[N@@H+]1CC[C@]2(CNC(=O)C2)C1)(c1ccccc1)c1ccccc1 ZINC000278828383 497234827 /nfs/dbraw/zinc/23/48/27/497234827.db2.gz IDEVMBISGRVDIN-QFIPXVFZSA-N 1 1 359.473 3.098 20 30 FGEDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000255954533 497380675 /nfs/dbraw/zinc/38/06/75/497380675.db2.gz QBRXINSZKRNSGB-IBGZPJMESA-N 1 1 368.868 3.139 20 30 FGEDMO C[N@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](c2ccccc2)C1 ZINC000255954533 497380678 /nfs/dbraw/zinc/38/06/78/497380678.db2.gz QBRXINSZKRNSGB-IBGZPJMESA-N 1 1 368.868 3.139 20 30 FGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCS1 ZINC000279357967 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VAJYUQRTLSELCJ-ZWKOTPCHSA-N 1 1 365.481 3.233 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)NCCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245649994 497487912 /nfs/dbraw/zinc/48/79/12/497487912.db2.gz CEPSCYPMRADORZ-RHSMWYFYSA-N 1 1 366.868 3.465 20 30 FGEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000279695111 497511606 /nfs/dbraw/zinc/51/16/06/497511606.db2.gz GKNYFAGRWINILS-DLBZAZTESA-N 1 1 353.466 3.363 20 30 FGEDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](CCC(C)(C)C#N)C(C)C)cc1 ZINC000272023508 497515588 /nfs/dbraw/zinc/51/55/88/497515588.db2.gz NLICYHNYGPSXBT-GOSISDBHSA-N 1 1 361.486 3.035 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245818099 497544653 /nfs/dbraw/zinc/54/46/53/497544653.db2.gz DITFCNHVOMYCQK-UYAOXDASSA-N 1 1 353.853 3.316 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245818099 497544655 /nfs/dbraw/zinc/54/46/55/497544655.db2.gz DITFCNHVOMYCQK-UYAOXDASSA-N 1 1 353.853 3.316 20 30 FGEDMO 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IKMSFPCBDSWXKO-BBRMVZONSA-N 1 1 366.494 3.293 20 30 FGEDMO COCCOCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281878579 498302360 /nfs/dbraw/zinc/30/23/60/498302360.db2.gz CTMHMEJPRUJQAP-UHFFFAOYSA-N 1 1 360.498 3.252 20 30 FGEDMO CN1Cc2ccccc2[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000360790552 498308933 /nfs/dbraw/zinc/30/89/33/498308933.db2.gz BGQGSNFVZBNGIB-HSZRJFAPSA-N 1 1 360.505 3.299 20 30 FGEDMO COc1ccc([C@H]2[C@@H](CNC(=O)NCCCCC#N)CCC[N@H+]2C)cc1 ZINC000360962718 498327710 /nfs/dbraw/zinc/32/77/10/498327710.db2.gz QFNUGRLUIQWICM-MJGOQNOKSA-N 1 1 358.486 3.071 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000361109287 498347150 /nfs/dbraw/zinc/34/71/50/498347150.db2.gz SXHBQBLMAVBHGN-XWIAVFTESA-N 1 1 364.440 3.290 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000361109287 498347157 /nfs/dbraw/zinc/34/71/57/498347157.db2.gz SXHBQBLMAVBHGN-XWIAVFTESA-N 1 1 364.440 3.290 20 30 FGEDMO 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N#Cc1cc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)ncn1 ZINC000570627816 506207517 /nfs/dbraw/zinc/20/75/17/506207517.db2.gz RUEKHNGVDPZUQY-UHFFFAOYSA-N 1 1 360.421 3.080 20 30 FGEDMO OCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCSC1 ZINC000433192249 500642864 /nfs/dbraw/zinc/64/28/64/500642864.db2.gz YKJRRQBIMGOCJU-OAHLLOKOSA-N 1 1 359.413 3.127 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000437536265 500656958 /nfs/dbraw/zinc/65/69/58/500656958.db2.gz NAGVZSFHPZOGJN-MRXNPFEDSA-N 1 1 360.502 3.072 20 30 FGEDMO Cc1cccc(S(=O)(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1C#N ZINC000443108326 500681289 /nfs/dbraw/zinc/68/12/89/500681289.db2.gz VRANAETVBMAXCZ-UHFFFAOYSA-N 1 1 371.506 3.185 20 30 FGEDMO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000447925582 500690391 /nfs/dbraw/zinc/69/03/91/500690391.db2.gz JHGASUOVCUYESU-KKSFZXQISA-N 1 1 354.425 3.239 20 30 FGEDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000447925582 500690393 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352.482 3.249 20 30 FGEDMO CCc1cc(CCCN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000570728514 506215660 /nfs/dbraw/zinc/21/56/60/506215660.db2.gz SUWRVMYGKVKKAR-UHFFFAOYSA-N 1 1 352.482 3.249 20 30 FGEDMO CCc1cc(CCCN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)on1 ZINC000570728514 506215661 /nfs/dbraw/zinc/21/56/61/506215661.db2.gz SUWRVMYGKVKKAR-UHFFFAOYSA-N 1 1 352.482 3.249 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(C#N)c1Br ZINC000448593342 500780280 /nfs/dbraw/zinc/78/02/80/500780280.db2.gz YYGXWJUZULHYQC-CYBMUJFWSA-N 1 1 364.287 3.315 20 30 FGEDMO COc1cc(OC)cc(N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000438548986 500799501 /nfs/dbraw/zinc/79/95/01/500799501.db2.gz UUCCVLHVDWOKKF-UHFFFAOYSA-N 1 1 368.452 3.407 20 30 FGEDMO C[C@@H]1C[C@]1(C#N)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000448745675 500821834 /nfs/dbraw/zinc/82/18/34/500821834.db2.gz FJOVIEPQZYQYTM-FZKQIMNGSA-N 1 1 365.399 3.336 20 30 FGEDMO Cc1ccc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)c(N2CCCC2)[nH+]1 ZINC000611576400 506219455 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20 30 FGEDMO COCC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(C#N)cc1 ZINC000434904907 500910254 /nfs/dbraw/zinc/91/02/54/500910254.db2.gz PUWRICHZHDLLRI-UHFFFAOYSA-N 1 1 373.403 3.314 20 30 FGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1(CC)CC ZINC000434975260 500918220 /nfs/dbraw/zinc/91/82/20/500918220.db2.gz AWYXUFAJYPLCDD-OALUTQOASA-N 1 1 357.498 3.090 20 30 FGEDMO COc1ccccc1[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000435838427 501035769 /nfs/dbraw/zinc/03/57/69/501035769.db2.gz YMGLWPLLOQCBDA-LJQANCHMSA-N 1 1 363.461 3.018 20 30 FGEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000435894853 501042922 /nfs/dbraw/zinc/04/29/22/501042922.db2.gz XPHLLAKNIRFZQL-MEDUHNTESA-N 1 1 358.239 3.198 20 30 FGEDMO CC[NH+]1CCN(c2ccccc2CNCc2ccc(C#N)c(F)c2)CC1 ZINC000449732882 501071454 /nfs/dbraw/zinc/07/14/54/501071454.db2.gz DZKKCZUQOUDAJZ-UHFFFAOYSA-N 1 1 352.457 3.129 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000449786004 501086951 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Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000451292666 501258086 /nfs/dbraw/zinc/25/80/86/501258086.db2.gz UMXXHULNYPOBKQ-AWEZNQCLSA-N 1 1 360.483 3.101 20 30 FGEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000455272982 501260352 /nfs/dbraw/zinc/26/03/52/501260352.db2.gz LLIPPRYNTJUQGU-YSIASYRMSA-N 1 1 372.513 3.078 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C#N)c1C ZINC000451336174 501268785 /nfs/dbraw/zinc/26/87/85/501268785.db2.gz DZLCAWIQQYLYKY-PLYYQAHHSA-N 1 1 359.470 3.111 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451418351 501288333 /nfs/dbraw/zinc/28/83/33/501288333.db2.gz MKKWRRHXMUNXIU-NJDAHSKKSA-N 1 1 369.509 3.176 20 30 FGEDMO CCO[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000451524569 501312879 /nfs/dbraw/zinc/31/28/79/501312879.db2.gz LLZJFBWXZOJOKW-IIBYNOLFSA-N 1 1 353.466 3.485 20 30 FGEDMO CCO[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C 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FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1[C@@H](C)CCC1(C)C ZINC000452008019 501417684 /nfs/dbraw/zinc/41/76/84/501417684.db2.gz OMAAAHRSAIUPBF-AWEZNQCLSA-N 1 1 360.502 3.215 20 30 FGEDMO CC(C)(CN1CCCC1)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000452084995 501431991 /nfs/dbraw/zinc/43/19/91/501431991.db2.gz JUGFQTIIRYASLY-UHFFFAOYSA-N 1 1 362.905 3.051 20 30 FGEDMO C[N@@H+](CCCNC(=O)NCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000454206997 501482278 /nfs/dbraw/zinc/48/22/78/501482278.db2.gz GGICMMXIVREJBG-UHFFFAOYSA-N 1 1 354.429 3.019 20 30 FGEDMO CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459019084 501577885 /nfs/dbraw/zinc/57/78/85/501577885.db2.gz UFJZDVMDDMRBCA-YSIASYRMSA-N 1 1 354.498 3.375 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000453014382 501601755 /nfs/dbraw/zinc/60/17/55/501601755.db2.gz KKKDBXKEFSKDDS-CTNGQTDRSA-N 1 1 357.494 3.046 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(OC)c1 ZINC000453034174 501605608 /nfs/dbraw/zinc/60/56/08/501605608.db2.gz JIVASMVZIBUVMP-WOIUINJBSA-N 1 1 357.494 3.284 20 30 FGEDMO C[C@H](NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000459445413 501655083 /nfs/dbraw/zinc/65/50/83/501655083.db2.gz BWSAUNRBYLNDGT-WHOFXGATSA-N 1 1 355.360 3.044 20 30 FGEDMO C[C@H](NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000459445410 501655163 /nfs/dbraw/zinc/65/51/63/501655163.db2.gz BWSAUNRBYLNDGT-NJZAAPMLSA-N 1 1 355.360 3.044 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000454953403 501660848 /nfs/dbraw/zinc/66/08/48/501660848.db2.gz CMPWBOYRWZURID-YWZLYKJASA-N 1 1 366.440 3.160 20 30 FGEDMO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000454961413 501662600 /nfs/dbraw/zinc/66/26/00/501662600.db2.gz ZMONTPDZOFCDCT-UHFFFAOYSA-N 1 1 367.518 3.363 20 30 FGEDMO CC(C)(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000454961413 501662603 /nfs/dbraw/zinc/66/26/03/501662603.db2.gz ZMONTPDZOFCDCT-UHFFFAOYSA-N 1 1 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3.069 20 30 FGEDMO Cc1nc2ccccc2n1C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000482896907 502210350 /nfs/dbraw/zinc/21/03/50/502210350.db2.gz IMWGVAHIZSEYGJ-OAQYLSRUSA-N 1 1 373.460 3.080 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000472090683 502227501 /nfs/dbraw/zinc/22/75/01/502227501.db2.gz PLMYZNXLJXFYKE-XLIONFOSSA-N 1 1 366.509 3.257 20 30 FGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 ZINC000475626460 502233703 /nfs/dbraw/zinc/23/37/03/502233703.db2.gz QJIUJKIAJVVTEJ-LJQANCHMSA-N 1 1 370.497 3.429 20 30 FGEDMO CO[C@@H]1CCCN(c2cc(C)[nH+]c(N3CCC[C@@H](OC)CC3)c2C#N)CC1 ZINC000596190503 506302190 /nfs/dbraw/zinc/30/21/90/506302190.db2.gz SERNSUDJLUFDDB-QZTJIDSGSA-N 1 1 372.513 3.272 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCC[C@@H]3C#N)cc2)C1 ZINC000461970276 502258764 /nfs/dbraw/zinc/25/87/64/502258764.db2.gz YIUSVRCFVCEQHK-NSISKUIASA-N 1 1 354.498 3.410 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469017002 502264967 /nfs/dbraw/zinc/26/49/67/502264967.db2.gz OYODOTVLBNRKDB-OAHLLOKOSA-N 1 1 366.465 3.454 20 30 FGEDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469024053 502267445 /nfs/dbraw/zinc/26/74/45/502267445.db2.gz SLPCNLHCCUMXJF-UHFFFAOYSA-N 1 1 352.438 3.065 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000483108035 502275340 /nfs/dbraw/zinc/27/53/40/502275340.db2.gz SEVXTFATWQVJHP-KRWDZBQOSA-N 1 1 374.529 3.462 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000475741063 502275646 /nfs/dbraw/zinc/27/56/46/502275646.db2.gz UVWHAXCWCCBDIE-VYDXJSESSA-N 1 1 374.529 3.318 20 30 FGEDMO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)c1 ZINC000472236699 502280507 /nfs/dbraw/zinc/28/05/07/502280507.db2.gz FNYWVPZVTFAYTG-SFHVURJKSA-N 1 1 357.498 3.237 20 30 FGEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(C)(C)C1 ZINC000472266511 502290766 /nfs/dbraw/zinc/29/07/66/502290766.db2.gz XNMOFAROWAERPY-AWEZNQCLSA-N 1 1 352.400 3.294 20 30 FGEDMO C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@@H+](C)Cc1ccccc1 ZINC000469283368 502361229 /nfs/dbraw/zinc/36/12/29/502361229.db2.gz SQMFKGBQLVAQTK-INIZCTEOSA-N 1 1 374.444 3.464 20 30 FGEDMO CC#CCCNC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000483429941 502387925 /nfs/dbraw/zinc/38/79/25/502387925.db2.gz HSBHTHLFXZXXME-FXAWDEMLSA-N 1 1 356.514 3.045 20 30 FGEDMO CC#CCCNC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000483429941 502387930 /nfs/dbraw/zinc/38/79/30/502387930.db2.gz HSBHTHLFXZXXME-FXAWDEMLSA-N 1 1 356.514 3.045 20 30 FGEDMO CC(C)[C@H]1C(=O)NCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000472581165 502391219 /nfs/dbraw/zinc/39/12/19/502391219.db2.gz NWQRVGFGLSBNHX-NRFANRHFSA-N 1 1 361.489 3.343 20 30 FGEDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000472581165 502391222 /nfs/dbraw/zinc/39/12/22/502391222.db2.gz NWQRVGFGLSBNHX-NRFANRHFSA-N 1 1 361.489 3.343 20 30 FGEDMO C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000483449800 502397182 /nfs/dbraw/zinc/39/71/82/502397182.db2.gz ZWHWTSUYBOWUFI-OAHLLOKOSA-N 1 1 354.429 3.190 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CC3(C(F)(F)F)CC3)CC2)cc1 ZINC000476239984 502425158 /nfs/dbraw/zinc/42/51/58/502425158.db2.gz DUUABALAAPYJAO-UHFFFAOYSA-N 1 1 365.399 3.325 20 30 FGEDMO C[N@@H+](CCNC(=O)C[C@@H](CC#N)c1ccccc1)Cc1ccc(F)cc1 ZINC000476248384 502429103 /nfs/dbraw/zinc/42/91/03/502429103.db2.gz DZXDCZXWIMHPDP-LJQANCHMSA-N 1 1 353.441 3.461 20 30 FGEDMO Cn1cc(CNCC2([NH+](C)C)CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000480016253 502446873 /nfs/dbraw/zinc/44/68/73/502446873.db2.gz CRTOFRDXAICGGO-UHFFFAOYSA-N 1 1 351.498 3.313 20 30 FGEDMO N#CCC1(C[N@@H+](CCn2ccnc2)Cc2ccc(Br)o2)CC1 ZINC000602832240 506318091 /nfs/dbraw/zinc/31/80/91/506318091.db2.gz RTSLAFBNVHNAPQ-UHFFFAOYSA-N 1 1 363.259 3.435 20 30 FGEDMO C=CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2CC(C)C)C1 ZINC000611813957 506316978 /nfs/dbraw/zinc/31/69/78/506316978.db2.gz HPINNCMICXIDAQ-QRVBRYPASA-N 1 1 373.545 3.262 20 30 FGEDMO C[N@H+](CC#Cc1ccccc1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000483944947 502527634 /nfs/dbraw/zinc/52/76/34/502527634.db2.gz DFOGOBBPSXFEGS-KRWDZBQOSA-N 1 1 363.379 3.429 20 30 FGEDMO C[N@@H+](CC#Cc1ccccc1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000483944947 502527638 /nfs/dbraw/zinc/52/76/38/502527638.db2.gz DFOGOBBPSXFEGS-KRWDZBQOSA-N 1 1 363.379 3.429 20 30 FGEDMO CCC(CC)[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)[NH+]1CCOCC1 ZINC000469840701 502564543 /nfs/dbraw/zinc/56/45/43/502564543.db2.gz IRZLOWPXJVFTTE-HXUWFJFHSA-N 1 1 371.525 3.355 20 30 FGEDMO CC(C)[C@@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[N@H+]1C ZINC000487963784 502583052 /nfs/dbraw/zinc/58/30/52/502583052.db2.gz NDMLGSCUAMCZQY-WMZOPIPTSA-N 1 1 374.554 3.291 20 30 FGEDMO CC(C)([NH2+]CC(=O)NCc1cccc(C#N)c1)c1cccc(Cl)c1F ZINC000473450056 502595279 /nfs/dbraw/zinc/59/52/79/502595279.db2.gz NCOZCHZDUQIJSQ-UHFFFAOYSA-N 1 1 359.832 3.492 20 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KLUGGWCVVPARHF-IQUTYRLHSA-N 1 1 365.437 3.181 20 30 FGEDMO Cc1cccc2c1ncc(C#N)c2N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596268232 506335702 /nfs/dbraw/zinc/33/57/02/506335702.db2.gz IIMMTFVEUMSMGD-UHFFFAOYSA-N 1 1 350.466 3.106 20 30 FGEDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1cccc(CC#N)c1)c1ccccc1 ZINC000505042123 502844433 /nfs/dbraw/zinc/84/44/33/502844433.db2.gz QKFBMWRLFQHQLR-NRFANRHFSA-N 1 1 365.477 3.192 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc([N+](=O)[O-])c(C#N)c2)cc1 ZINC000599138374 506339343 /nfs/dbraw/zinc/33/93/43/506339343.db2.gz AQODSHZLNFFNDQ-KRWDZBQOSA-N 1 1 352.394 3.161 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889527 506339480 /nfs/dbraw/zinc/33/94/80/506339480.db2.gz WLLCZNWRRBZBQZ-SFHVURJKSA-N 1 1 374.444 3.378 20 30 FGEDMO Cc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000505471981 502911247 /nfs/dbraw/zinc/91/12/47/502911247.db2.gz OYFOPZWCGZMCHS-INIZCTEOSA-N 1 1 365.481 3.047 20 30 FGEDMO CC(C)[C@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000599140984 506341295 /nfs/dbraw/zinc/34/12/95/506341295.db2.gz CRNMLHOKDAZKDW-GOSISDBHSA-N 1 1 365.437 3.208 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000501089764 502935074 /nfs/dbraw/zinc/93/50/74/502935074.db2.gz QYHTZHAXCQUKKH-CJNGLKHVSA-N 1 1 366.868 3.321 20 30 FGEDMO C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000505600814 502946054 /nfs/dbraw/zinc/94/60/54/502946054.db2.gz ZSDMESMFYJTKCJ-AEFFLSMTSA-N 1 1 357.498 3.075 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC000501225912 502962529 /nfs/dbraw/zinc/96/25/29/502962529.db2.gz HIINBDLYXLXHOR-UWVAXJGDSA-N 1 1 363.461 3.277 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000489511562 502975783 /nfs/dbraw/zinc/97/57/83/502975783.db2.gz NMJYTTYTXDTCPS-QGZVFWFLSA-N 1 1 352.400 3.438 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909215 506348275 /nfs/dbraw/zinc/34/82/75/506348275.db2.gz JNOQUQQIILOXBE-HNNXBMFYSA-N 1 1 359.433 3.032 20 30 FGEDMO Cc1ccc(-c2n[nH]cc2CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000506113315 503050672 /nfs/dbraw/zinc/05/06/72/503050672.db2.gz RITGZONENAJCMD-UHFFFAOYSA-N 1 1 361.449 3.168 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)C1(C)CCCC1 ZINC000489895175 503059022 /nfs/dbraw/zinc/05/90/22/503059022.db2.gz XTBAXRBSNRUYHO-UHFFFAOYSA-N 1 1 360.502 3.216 20 30 FGEDMO C=CCCO[C@H](C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000497905004 503063754 /nfs/dbraw/zinc/06/37/54/503063754.db2.gz ZQUPGZHCOVAMCO-GOSISDBHSA-N 1 1 352.478 3.465 20 30 FGEDMO Cc1cncc(Cn2c3c(cc(C#N)c2=O)C[N@H+](Cc2ccccc2)CC3)c1 ZINC000596316212 506354264 /nfs/dbraw/zinc/35/42/64/506354264.db2.gz HIKGPJXVSDJHDL-UHFFFAOYSA-N 1 1 370.456 3.030 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000506663035 503152383 /nfs/dbraw/zinc/15/23/83/503152383.db2.gz VBRPRPZTRBWRMI-UHFFFAOYSA-N 1 1 372.476 3.078 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1OCC ZINC000506686027 503155532 /nfs/dbraw/zinc/15/55/32/503155532.db2.gz AYARJAUMILRQSN-UHFFFAOYSA-N 1 1 366.465 3.073 20 30 FGEDMO Cc1ccc(CNC(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000502505125 503212571 /nfs/dbraw/zinc/21/25/71/503212571.db2.gz CYKBOSVVORSZFE-UHFFFAOYSA-N 1 1 363.436 3.411 20 30 FGEDMO Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000502505125 503212573 /nfs/dbraw/zinc/21/25/73/503212573.db2.gz CYKBOSVVORSZFE-UHFFFAOYSA-N 1 1 363.436 3.411 20 30 FGEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000510963908 503226103 /nfs/dbraw/zinc/22/61/03/503226103.db2.gz BLZZPDIVPFOAOY-CQSZACIVSA-N 1 1 372.818 3.472 20 30 FGEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000510963908 503226108 /nfs/dbraw/zinc/22/61/08/503226108.db2.gz BLZZPDIVPFOAOY-CQSZACIVSA-N 1 1 372.818 3.472 20 30 FGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC[NH+]1CCSCC1 ZINC000491025952 503262503 /nfs/dbraw/zinc/26/25/03/503262503.db2.gz WXLBTHPQCDRALW-UHFFFAOYSA-N 1 1 359.948 3.148 20 30 FGEDMO CC[N@@H+](CCNC(=O)NC1(c2cccc(C#N)c2)CC1)CCC(F)(F)F ZINC000503091102 503345377 /nfs/dbraw/zinc/34/53/77/503345377.db2.gz FEFNXYIOFJOQLS-UHFFFAOYSA-N 1 1 368.403 3.121 20 30 FGEDMO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507800581 503368173 /nfs/dbraw/zinc/36/81/73/503368173.db2.gz CJECJYLXMOXNTJ-TVRKMHQQSA-N 1 1 369.509 3.485 20 30 FGEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)CC(=O)Nc1ccc(F)cc1 ZINC000507803183 503369821 /nfs/dbraw/zinc/36/98/21/503369821.db2.gz ZQKXUTLJRKZCON-UHFFFAOYSA-N 1 1 355.413 3.425 20 30 FGEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000611938776 506369334 /nfs/dbraw/zinc/36/93/34/506369334.db2.gz XUOGCLTXPFQPIF-GOSISDBHSA-N 1 1 368.506 3.375 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000504031854 503513178 /nfs/dbraw/zinc/51/31/78/503513178.db2.gz GGBJXJRFZKJMPS-MJGOQNOKSA-N 1 1 370.403 3.185 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000504031854 503513182 /nfs/dbraw/zinc/51/31/82/503513182.db2.gz GGBJXJRFZKJMPS-MJGOQNOKSA-N 1 1 370.403 3.185 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000588913531 506378684 /nfs/dbraw/zinc/37/86/84/506378684.db2.gz WEYVQWKUXMISPS-IIBYNOLFSA-N 1 1 362.477 3.365 20 30 FGEDMO C=CCn1c(C)nnc1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000508745301 503556139 /nfs/dbraw/zinc/55/61/39/503556139.db2.gz GJCILBALYULVKZ-UHFFFAOYSA-N 1 1 351.498 3.265 20 30 FGEDMO C=CCn1c(-c2sccc2C)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508868636 503583174 /nfs/dbraw/zinc/58/31/74/503583174.db2.gz WJFWOHYFHUGPSV-UHFFFAOYSA-N 1 1 369.494 3.416 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1Cc1ccc(OC)cc1 ZINC000593080058 506380614 /nfs/dbraw/zinc/38/06/14/506380614.db2.gz DAOGCHFWKQIQAE-PKOBYXMFSA-N 1 1 357.498 3.100 20 30 FGEDMO C=CCc1cc(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc(OC)c1OC ZINC000512646098 503602576 /nfs/dbraw/zinc/60/25/76/503602576.db2.gz SSOQBTHQWIUVQH-OWCLPIDISA-N 1 1 360.498 3.310 20 30 FGEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1F ZINC000512668882 503608310 /nfs/dbraw/zinc/60/83/10/503608310.db2.gz WZIJRBYJNMCFTH-XWFZLUIHSA-N 1 1 367.468 3.231 20 30 FGEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1F ZINC000512668882 503608314 /nfs/dbraw/zinc/60/83/14/503608314.db2.gz WZIJRBYJNMCFTH-XWFZLUIHSA-N 1 1 367.468 3.231 20 30 FGEDMO COC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)oc1C ZINC000512800518 503634222 /nfs/dbraw/zinc/63/42/22/503634222.db2.gz CXIFMUVPTOIRAB-UHFFFAOYSA-N 1 1 372.396 3.429 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512844960 503643803 /nfs/dbraw/zinc/64/38/03/503643803.db2.gz QJFZXGGHFAIETG-KGLIPLIRSA-N 1 1 369.387 3.022 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512844960 503643805 /nfs/dbraw/zinc/64/38/05/503643805.db2.gz QJFZXGGHFAIETG-KGLIPLIRSA-N 1 1 369.387 3.022 20 30 FGEDMO C[C@H](CNc1c(F)cc(C#N)cc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000500547127 503644801 /nfs/dbraw/zinc/64/48/01/503644801.db2.gz FIMVFOZHCGTMHT-OAHLLOKOSA-N 1 1 356.420 3.459 20 30 FGEDMO CC(C)(C#N)CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000512907636 503652601 /nfs/dbraw/zinc/65/26/01/503652601.db2.gz SNVXDPZCMTVVDN-NRFANRHFSA-N 1 1 354.498 3.234 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2C3CCC2CC3)c1C#N ZINC000532915620 503654044 /nfs/dbraw/zinc/65/40/44/503654044.db2.gz GBZWQNHIKCPKEG-UHFFFAOYSA-N 1 1 352.438 3.183 20 30 FGEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)NCc2cccc(C#N)c2)c1 ZINC000543173240 503659331 /nfs/dbraw/zinc/65/93/31/503659331.db2.gz ONSVLYQODCDKHP-HRAATJIYSA-N 1 1 363.461 3.266 20 30 FGEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000543172475 503659916 /nfs/dbraw/zinc/65/99/16/503659916.db2.gz LIUXCVSNIGSQIZ-IIBYNOLFSA-N 1 1 363.461 3.266 20 30 FGEDMO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc2c(c1)OCCO2 ZINC000540377414 503752693 /nfs/dbraw/zinc/75/26/93/503752693.db2.gz ZEWOWGPRZSSNDY-SFHVURJKSA-N 1 1 366.417 3.357 20 30 FGEDMO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nc1 ZINC000517568714 503773701 /nfs/dbraw/zinc/77/37/01/503773701.db2.gz MSCPORIGHWKOHS-GOSISDBHSA-N 1 1 368.868 3.391 20 30 FGEDMO N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nc1 ZINC000517568714 503773705 /nfs/dbraw/zinc/77/37/05/503773705.db2.gz MSCPORIGHWKOHS-GOSISDBHSA-N 1 1 368.868 3.391 20 30 FGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 ZINC000517640671 503793128 /nfs/dbraw/zinc/79/31/28/503793128.db2.gz SMPLWRINOQYABL-IRXDYDNUSA-N 1 1 357.498 3.342 20 30 FGEDMO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cc(C#N)ccc1OC ZINC000533326752 503807884 /nfs/dbraw/zinc/80/78/84/503807884.db2.gz WUYPDUPIKSMABC-UHFFFAOYSA-N 1 1 358.413 3.233 20 30 FGEDMO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1cc(C#N)ccc1OC ZINC000533326752 503807891 /nfs/dbraw/zinc/80/78/91/503807891.db2.gz WUYPDUPIKSMABC-UHFFFAOYSA-N 1 1 358.413 3.233 20 30 FGEDMO COc1cc(C#N)ccc1OCCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533374896 503821608 /nfs/dbraw/zinc/82/16/08/503821608.db2.gz HGEFTAJIMNPFOS-SCTDSRPQSA-N 1 1 357.498 3.283 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000540588734 503824965 /nfs/dbraw/zinc/82/49/65/503824965.db2.gz CWZBFTVYMIJFBU-ZDUSSCGKSA-N 1 1 356.297 3.196 20 30 FGEDMO C=CCOc1cccnc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000537168518 503825975 /nfs/dbraw/zinc/82/59/75/503825975.db2.gz XUHPRIOXFRMBDG-MRXNPFEDSA-N 1 1 371.506 3.350 20 30 FGEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533430041 503842811 /nfs/dbraw/zinc/84/28/11/503842811.db2.gz HXTMSNXEYMPLBZ-RLLQIKCJSA-N 1 1 355.482 3.412 20 30 FGEDMO CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(CC#N)CC1 ZINC000543808593 503900898 /nfs/dbraw/zinc/90/08/98/503900898.db2.gz WLMZSSBWTMAOCP-UHFFFAOYSA-N 1 1 370.316 3.095 20 30 FGEDMO COc1cccc2c(N3CCN(c4cccc(C#N)n4)CC3)cc(C)[nH+]c12 ZINC000546878025 503913190 /nfs/dbraw/zinc/91/31/90/503913190.db2.gz ZLGBCLKBERHPDR-UHFFFAOYSA-N 1 1 359.433 3.145 20 30 FGEDMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000518178613 503922352 /nfs/dbraw/zinc/92/23/52/503922352.db2.gz DWACOMFSMGKAEG-AWEZNQCLSA-N 1 1 370.375 3.105 20 30 FGEDMO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000540989117 503966476 /nfs/dbraw/zinc/96/64/76/503966476.db2.gz VQVYQWOCXNVONY-BEFAXECRSA-N 1 1 353.441 3.115 20 30 FGEDMO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000540989117 503966479 /nfs/dbraw/zinc/96/64/79/503966479.db2.gz VQVYQWOCXNVONY-BEFAXECRSA-N 1 1 353.441 3.115 20 30 FGEDMO COc1cc(C)c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000540997680 503969778 /nfs/dbraw/zinc/96/97/78/503969778.db2.gz LQUGDIYKAQMMTC-UHFFFAOYSA-N 1 1 364.493 3.287 20 30 FGEDMO COc1cc(C)c(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000540997680 503969781 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FLHMPJRWNTXDQO-IRXDYDNUSA-N 1 1 372.513 3.123 20 30 FGEDMO N#Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000518812495 504070327 /nfs/dbraw/zinc/07/03/27/504070327.db2.gz QTELDUCNRSRETI-FQEVSTJZSA-N 1 1 354.498 3.402 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000518889947 504087123 /nfs/dbraw/zinc/08/71/23/504087123.db2.gz MDKCSMSXHQUIEX-CKVGWXAMSA-N 1 1 354.498 3.279 20 30 FGEDMO C[N@H+]1C[C@H](NC(=O)CSCc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000534291039 504097944 /nfs/dbraw/zinc/09/79/44/504097944.db2.gz RVWMCQGBMXMSFX-PMACEKPBSA-N 1 1 365.502 3.005 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000518967811 504104867 /nfs/dbraw/zinc/10/48/67/504104867.db2.gz OPTIZIWMSDXUOR-LAUBAEHRSA-N 1 1 362.477 3.385 20 30 FGEDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000541386731 504112198 /nfs/dbraw/zinc/11/21/98/504112198.db2.gz GVPTYPLZHSAWMS-TZIWHRDSSA-N 1 1 350.462 3.404 20 30 FGEDMO 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359.514 3.048 20 30 FGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000735409234 598865798 /nfs/dbraw/zinc/86/57/98/598865798.db2.gz VZXUDXBTVKHEAM-CYBMUJFWSA-N 1 1 360.462 3.082 20 30 FGEDMO CC(C)[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735874036 598812397 /nfs/dbraw/zinc/81/23/97/598812397.db2.gz LLDKKKIJMKRXLF-UHFFFAOYSA-N 1 1 362.437 3.180 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C(=O)[O-])cc1 ZINC000739108577 600597055 /nfs/dbraw/zinc/59/70/55/600597055.db2.gz VNEWTVZLYXHNAV-LPHOPBHVSA-N 1 1 369.490 3.247 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C(=O)[O-])cc1 ZINC000739108577 600597057 /nfs/dbraw/zinc/59/70/57/600597057.db2.gz VNEWTVZLYXHNAV-LPHOPBHVSA-N 1 1 369.490 3.247 20 30 FGEDMO C[N@@H+]1CCC[C@H](C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000830928498 600753909 /nfs/dbraw/zinc/75/39/09/600753909.db2.gz NQIKKOCWSUSXKD-NEWSRXKRSA-N 1 1 369.490 3.418 20 30 FGEDMO 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/nfs/dbraw/zinc/64/74/54/608647454.db2.gz PTHGSWFYQOJARS-ZDUSSCGKSA-N 1 1 350.401 3.461 20 30 FGEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090117757 700400715 /nfs/dbraw/zinc/40/07/15/700400715.db2.gz MICCGZKHQNSNKK-NSHDSACASA-N 1 1 350.390 3.091 20 30 FGEDMO Cc1ccsc1CNC(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000131617735 700817550 /nfs/dbraw/zinc/81/75/50/700817550.db2.gz UYPZPWQWFDQAJT-UHFFFAOYSA-N 1 1 361.511 3.178 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000132205096 700825072 /nfs/dbraw/zinc/82/50/72/700825072.db2.gz NCSQCMGMUWXVDV-GFCCVEGCSA-N 1 1 363.849 3.053 20 30 FGEDMO C#CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2SC)cc1 ZINC000179626442 705707568 /nfs/dbraw/zinc/70/75/68/705707568.db2.gz UIFWMSTTYALMHW-UHFFFAOYSA-N 1 1 354.475 3.491 20 30 FGEDMO C#CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2SC)cc1 ZINC000179626442 705707573 /nfs/dbraw/zinc/70/75/73/705707573.db2.gz UIFWMSTTYALMHW-UHFFFAOYSA-N 1 1 354.475 3.491 20 30 FGEDMO COc1cccc(NC(=[NH2+])NCC2(N3CCSCC3)CCCCC2)c1 ZINC000262549572 713727000 /nfs/dbraw/zinc/72/70/00/713727000.db2.gz XGSUGPZYHIABGJ-UHFFFAOYSA-N 1 1 362.543 3.174 20 30 FGEDMO COc1cc2nc(C)sc2cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000328623351 713825286 /nfs/dbraw/zinc/82/52/86/713825286.db2.gz YTZCJUYQMROGDR-CYBMUJFWSA-N 1 1 362.499 3.432 20 30 FGEDMO CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000329273554 713828593 /nfs/dbraw/zinc/82/85/93/713828593.db2.gz IYWYKZBJVGOIKF-CQSZACIVSA-N 1 1 361.511 3.472 20 30 FGEDMO O=C(C[N@@H+]1CCC[C@@H](C2CC2)C1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000329675575 713831760 /nfs/dbraw/zinc/83/17/60/713831760.db2.gz VSHSLMLMDGHCHD-CYBMUJFWSA-N 1 1 360.849 3.026 20 30 FGEDMO O=C(C[N@H+]1CCC[C@@H](C2CC2)C1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000329675575 713831764 /nfs/dbraw/zinc/83/17/64/713831764.db2.gz VSHSLMLMDGHCHD-CYBMUJFWSA-N 1 1 360.849 3.026 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000525229416 714334195 /nfs/dbraw/zinc/33/41/95/714334195.db2.gz NNBDUMIXFAEPMQ-GFCCVEGCSA-N 1 1 354.376 3.429 20 30 FGEDMO C[C@@H](CNc1nc(Cl)c(C#N)s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000804350124 724506749 /nfs/dbraw/zinc/50/67/49/724506749.db2.gz UKUROBMJOBLGHT-ZDUSSCGKSA-N 1 1 361.902 3.291 20 30 FGEDMO C#CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000782195676 724636286 /nfs/dbraw/zinc/63/62/86/724636286.db2.gz JJOPYUZKCNZFLM-JKSUJKDBSA-N 1 1 351.853 3.325 20 30 FGEDMO C#CCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000782195676 724636288 /nfs/dbraw/zinc/63/62/88/724636288.db2.gz JJOPYUZKCNZFLM-JKSUJKDBSA-N 1 1 351.853 3.325 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000660058047 719981213 /nfs/dbraw/zinc/98/12/13/719981213.db2.gz UVHKBXZRARGIJQ-IBGZPJMESA-N 1 1 362.539 3.174 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000782393942 724663532 /nfs/dbraw/zinc/66/35/32/724663532.db2.gz SOQYSALGMJHWLL-LJQANCHMSA-N 1 1 365.905 3.259 20 30 FGEDMO N#CC1(c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2)CCC1 ZINC001164722930 720381366 /nfs/dbraw/zinc/38/13/66/720381366.db2.gz DTDDOWKMAKCWMU-WOJBJXKFSA-N 1 1 359.477 3.275 20 30 FGEDMO C=CC[C@@]1(C(=O)Nc2cccc(CN3CCSCC3)c2C)CCC[NH2+]1 ZINC000662703385 720453298 /nfs/dbraw/zinc/45/32/98/720453298.db2.gz HGERJNYMOVTMGT-FQEVSTJZSA-N 1 1 359.539 3.181 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(C#N)c[nH]c3n1)[C@H]2C ZINC001164862643 720969789 /nfs/dbraw/zinc/96/97/89/720969789.db2.gz TWHWZAGKFHIRQI-AWEZNQCLSA-N 1 1 363.469 3.052 20 30 FGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Br)c(F)cc1O ZINC000783300183 724745767 /nfs/dbraw/zinc/74/57/67/724745767.db2.gz JVMJOCIIPULNHY-VIFPVBQESA-N 1 1 350.191 3.411 20 30 FGEDMO N#Cc1ccc(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1Cl ZINC001164767132 721280759 /nfs/dbraw/zinc/28/07/59/721280759.db2.gz GTEKSWHLCOIAGB-UHFFFAOYSA-N 1 1 352.816 3.074 20 30 FGEDMO Cc1nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164781046 721392580 /nfs/dbraw/zinc/39/25/80/721392580.db2.gz AMJKIYXDRWQIQN-OKILXGFUSA-N 1 1 373.913 3.248 20 30 FGEDMO Cc1nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164781046 721392583 /nfs/dbraw/zinc/39/25/83/721392583.db2.gz AMJKIYXDRWQIQN-OKILXGFUSA-N 1 1 373.913 3.248 20 30 FGEDMO CC(C)c1ccc(C#N)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164789958 721393908 /nfs/dbraw/zinc/39/39/08/721393908.db2.gz VOIQCHCAQRINFZ-HOTGVXAUSA-N 1 1 353.495 3.101 20 30 FGEDMO N#Cc1c(Cl)ccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900524 721522059 /nfs/dbraw/zinc/52/20/59/721522059.db2.gz RUXPZUBPVKLLOE-GOEBONIOSA-N 1 1 372.831 3.088 20 30 FGEDMO N#Cc1cccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905601 721584839 /nfs/dbraw/zinc/58/48/39/721584839.db2.gz KAXWNPPIORQJIK-LJQANCHMSA-N 1 1 369.419 3.086 20 30 FGEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165038851 721901963 /nfs/dbraw/zinc/90/19/63/721901963.db2.gz RVSNLIVEMRHZQF-LJQANCHMSA-N 1 1 366.440 3.060 20 30 FGEDMO C#CC[C@H](COC)[NH2+]Cc1cc(Cl)ccc1I ZINC000716375478 722416993 /nfs/dbraw/zinc/41/69/93/722416993.db2.gz QRQITLWTTYYGTM-GFCCVEGCSA-N 1 1 363.626 3.073 20 30 FGEDMO C#Cc1cccc(NC(=S)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000726458451 722434640 /nfs/dbraw/zinc/43/46/40/722434640.db2.gz XOPQUYMVNDBIRJ-CQSZACIVSA-N 1 1 355.532 3.463 20 30 FGEDMO C#Cc1cccc(NC(=S)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000726458451 722434641 /nfs/dbraw/zinc/43/46/41/722434641.db2.gz XOPQUYMVNDBIRJ-CQSZACIVSA-N 1 1 355.532 3.463 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc2cc(Br)ccc2o1 ZINC000729809238 722462695 /nfs/dbraw/zinc/46/26/95/722462695.db2.gz JRSXYOPROKZDCO-AWEZNQCLSA-N 1 1 362.223 3.450 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc2cc(Br)ccc2o1 ZINC000729809238 722462696 /nfs/dbraw/zinc/46/26/96/722462696.db2.gz JRSXYOPROKZDCO-AWEZNQCLSA-N 1 1 362.223 3.450 20 30 FGEDMO C#CCOc1ccc(Br)cc1CNCC[N@H+](C)CCCC ZINC000732822476 722489167 /nfs/dbraw/zinc/48/91/67/722489167.db2.gz NJLAIBNHSFMHIF-UHFFFAOYSA-N 1 1 353.304 3.283 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]CCN(C)CCCC ZINC000732822476 722489168 /nfs/dbraw/zinc/48/91/68/722489168.db2.gz NJLAIBNHSFMHIF-UHFFFAOYSA-N 1 1 353.304 3.283 20 30 FGEDMO C#CC[N@@H+](CCCC(=O)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC000734852527 722510685 /nfs/dbraw/zinc/51/06/85/722510685.db2.gz RWVUTOMKMIOHBS-HNNXBMFYSA-N 1 1 366.255 3.161 20 30 FGEDMO C#CC[N@H+](CCCC(=O)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC000734852527 722510686 /nfs/dbraw/zinc/51/06/86/722510686.db2.gz RWVUTOMKMIOHBS-HNNXBMFYSA-N 1 1 366.255 3.161 20 30 FGEDMO CCOCCC[N@H+]1CCC(N=Nc2c(F)c(F)nc(F)c2F)[C@@H](C)C1 ZINC000735228209 722513527 /nfs/dbraw/zinc/51/35/27/722513527.db2.gz UDBKSJIRLRRXBA-JTQLQIEISA-N 1 1 362.371 3.174 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1cc(Cl)ccc1OCC#N ZINC000735303050 722514638 /nfs/dbraw/zinc/51/46/38/722514638.db2.gz JKIYJXDEEZWDGP-ZDUSSCGKSA-N 1 1 350.850 3.115 20 30 FGEDMO CCOC(=O)N(C)C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735310377 722515029 /nfs/dbraw/zinc/51/50/29/722515029.db2.gz ZHUTXAQXWSQDHX-UHFFFAOYSA-N 1 1 365.861 3.295 20 30 FGEDMO CC[N@H+]1CCC(N=Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H](C)C1 ZINC000741460327 722546125 /nfs/dbraw/zinc/54/61/25/722546125.db2.gz NKGSDWIQTJJAAZ-NSHDSACASA-N 1 1 363.405 3.110 20 30 FGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)c1 ZINC000742381850 722556610 /nfs/dbraw/zinc/55/66/10/722556610.db2.gz NZPVGFLWOMNFFT-UHFFFAOYSA-N 1 1 363.186 3.478 20 30 FGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744423889 722576720 /nfs/dbraw/zinc/57/67/20/722576720.db2.gz PPRJINOJGGCJRG-GJZGRUSLSA-N 1 1 356.495 3.026 20 30 FGEDMO Clc1cc(Br)ccc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753937580 722919179 /nfs/dbraw/zinc/91/91/79/722919179.db2.gz DUHVNDWKDLVGTO-BETUJISGSA-N 1 1 355.667 3.296 20 30 FGEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1sc(-c2cccnc2)nc1C ZINC000753935658 722919183 /nfs/dbraw/zinc/91/91/83/722919183.db2.gz OYHVAIZHPSIILJ-HUUCEWRRSA-N 1 1 354.483 3.098 20 30 FGEDMO C#CCOc1ccccc1NC(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000755339910 722952490 /nfs/dbraw/zinc/95/24/90/722952490.db2.gz UIEUPIDGIKVVOV-UHFFFAOYSA-N 1 1 357.376 3.094 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(Cl)ccc1Br ZINC000756542609 722966498 /nfs/dbraw/zinc/96/64/98/722966498.db2.gz NPCNCRCQHIOVAK-GFCCVEGCSA-N 1 1 356.647 3.357 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(Cl)ccc1Br ZINC000756542609 722966499 /nfs/dbraw/zinc/96/64/99/722966499.db2.gz NPCNCRCQHIOVAK-GFCCVEGCSA-N 1 1 356.647 3.357 20 30 FGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)C1CCCC1 ZINC000756912252 722971796 /nfs/dbraw/zinc/97/17/96/722971796.db2.gz NHUJGXNNOWENDQ-UHFFFAOYSA-N 1 1 353.235 3.405 20 30 FGEDMO C#CC[N@H+](CC(=O)Nc1ccc(Br)cc1F)C1CCCC1 ZINC000756912252 722971797 /nfs/dbraw/zinc/97/17/97/722971797.db2.gz NHUJGXNNOWENDQ-UHFFFAOYSA-N 1 1 353.235 3.405 20 30 FGEDMO C#CCOc1ccc(Br)cc1CN[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000757701971 722978611 /nfs/dbraw/zinc/97/86/11/722978611.db2.gz CTEPFEOIXDNBNV-CXAGYDPISA-N 1 1 363.299 3.033 20 30 FGEDMO C#CCOc1ccc(Br)cc1CN[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000757701971 722978612 /nfs/dbraw/zinc/97/86/12/722978612.db2.gz CTEPFEOIXDNBNV-CXAGYDPISA-N 1 1 363.299 3.033 20 30 FGEDMO N#Cc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759052538 722998742 /nfs/dbraw/zinc/99/87/42/722998742.db2.gz UUWACFUJEDPSCW-LJQANCHMSA-N 1 1 359.832 3.206 20 30 FGEDMO N#Cc1ccccc1N1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759052537 722998802 /nfs/dbraw/zinc/99/88/02/722998802.db2.gz UUWACFUJEDPSCW-IBGZPJMESA-N 1 1 359.832 3.206 20 30 FGEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792939578 723384288 /nfs/dbraw/zinc/38/42/88/723384288.db2.gz GXTNBZYOQKKLNX-SNVBAGLBSA-N 1 1 366.305 3.294 20 30 FGEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792939578 723384291 /nfs/dbraw/zinc/38/42/91/723384291.db2.gz GXTNBZYOQKKLNX-SNVBAGLBSA-N 1 1 366.305 3.294 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cn3c4ccccc4oc3=S)C2)nc1 ZINC000793591763 723452075 /nfs/dbraw/zinc/45/20/75/723452075.db2.gz PXZQDGOCVMBSMG-AWEZNQCLSA-N 1 1 352.419 3.341 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cn3c4ccccc4oc3=S)C2)nc1 ZINC000793591763 723452080 /nfs/dbraw/zinc/45/20/80/723452080.db2.gz PXZQDGOCVMBSMG-AWEZNQCLSA-N 1 1 352.419 3.341 20 30 FGEDMO C#C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ccc(Cl)cc1 ZINC000794068991 723487686 /nfs/dbraw/zinc/48/76/86/723487686.db2.gz GYJYUDSZPANUKA-RBUKOAKNSA-N 1 1 353.853 3.190 20 30 FGEDMO C#C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1ccc(Cl)cc1 ZINC000794068991 723487688 /nfs/dbraw/zinc/48/76/88/723487688.db2.gz GYJYUDSZPANUKA-RBUKOAKNSA-N 1 1 353.853 3.190 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000766640928 723584507 /nfs/dbraw/zinc/58/45/07/723584507.db2.gz YASGASJAJLFLSC-XJKSGUPXSA-N 1 1 350.256 3.193 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767912707 723639434 /nfs/dbraw/zinc/63/94/34/723639434.db2.gz BSOWONMHKSNINB-LJQANCHMSA-N 1 1 354.523 3.006 20 30 FGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000796612637 723646563 /nfs/dbraw/zinc/64/65/63/723646563.db2.gz IJDKORQCCOJWAN-QZTJIDSGSA-N 1 1 351.535 3.358 20 30 FGEDMO C#CC[NH+]1CCC(c2nc(Cc3ccc(Br)cc3)no2)CC1 ZINC000770843204 723721729 /nfs/dbraw/zinc/72/17/29/723721729.db2.gz SHJRNJMBXPLYFV-UHFFFAOYSA-N 1 1 360.255 3.236 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2s1)[C@@H]1CCCO1 ZINC000775013397 723952037 /nfs/dbraw/zinc/95/20/37/723952037.db2.gz NPVSBCRZYROKMC-YPMHNXCESA-N 1 1 351.269 3.329 20 30 FGEDMO C#C[C@H]([NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCO1 ZINC000775796113 724062589 /nfs/dbraw/zinc/06/25/89/724062589.db2.gz STTDTOHBUICNEW-GXTWGEPZSA-N 1 1 361.656 3.356 20 30 FGEDMO C#CCC[NH+]1CCN(Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000776592832 724162911 /nfs/dbraw/zinc/16/29/11/724162911.db2.gz BEOPWHKCYUTXJV-UHFFFAOYSA-N 1 1 374.282 3.245 20 30 FGEDMO C=CCSc1ccccc1NC(=O)COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785746603 724935008 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AVIIYBZVOYUIPK-UHFFFAOYSA-N 1 1 361.580 3.436 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c2ccccc21 ZINC000879556716 737005789 /nfs/dbraw/zinc/00/57/89/737005789.db2.gz LAYKQDNNBQEUDW-HOTGVXAUSA-N 1 1 353.491 3.423 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879561767 737007776 /nfs/dbraw/zinc/00/77/76/737007776.db2.gz UOPGGNBRECUSGK-JHJVBQTASA-N 1 1 361.536 3.120 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879561767 737007780 /nfs/dbraw/zinc/00/77/80/737007780.db2.gz UOPGGNBRECUSGK-JHJVBQTASA-N 1 1 361.536 3.120 20 30 FGEDMO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H]1C(F)(F)F ZINC000880027744 737102734 /nfs/dbraw/zinc/10/27/34/737102734.db2.gz WWKZHVPGVSMABK-REWJHTLYSA-N 1 1 361.408 3.314 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880145657 737127325 /nfs/dbraw/zinc/12/73/25/737127325.db2.gz HJCKUXUXQQBDOJ-HUUCEWRRSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880145657 737127326 /nfs/dbraw/zinc/12/73/26/737127326.db2.gz HJCKUXUXQQBDOJ-HUUCEWRRSA-N 1 1 361.511 3.112 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882273185 737439419 /nfs/dbraw/zinc/43/94/19/737439419.db2.gz CEUKWZQBADRIAN-UHFFFAOYSA-N 1 1 373.254 3.467 20 30 FGEDMO C#CC[N@H+](CC1CC(OCC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426198 739258518 /nfs/dbraw/zinc/25/85/18/739258518.db2.gz MIXWSBAXSBLPFC-UHFFFAOYSA-N 1 1 350.503 3.136 20 30 FGEDMO C#CC[N@H+](CCC1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426313 739258560 /nfs/dbraw/zinc/25/85/60/739258560.db2.gz RYIZXDSECNOFIZ-UHFFFAOYSA-N 1 1 350.503 3.138 20 30 FGEDMO OC[C@@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000886805452 739303665 /nfs/dbraw/zinc/30/36/65/739303665.db2.gz FGYKUZZCLCSWTC-CQSZACIVSA-N 1 1 367.289 3.183 20 30 FGEDMO OC[C@@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000886805452 739303668 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FGEDMO Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n(CCC#N)n1 ZINC000068218465 493780779 /nfs/dbraw/zinc/78/07/79/493780779.db2.gz ZIIDRANSKCYWEF-QGZVFWFLSA-N 1 1 369.444 3.095 20 30 FGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000080907791 493789747 /nfs/dbraw/zinc/78/97/47/493789747.db2.gz TYZDTWVWWWLGSJ-QFIPXVFZSA-N 1 1 357.461 3.255 20 30 FGEDMO Cc1cccc(CN2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000028881690 493805408 /nfs/dbraw/zinc/80/54/08/493805408.db2.gz XUTDOYORNVLDIV-UHFFFAOYSA-N 1 1 362.477 3.013 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](CCC#N)CC1CC1 ZINC000081062186 493822400 /nfs/dbraw/zinc/82/24/00/493822400.db2.gz AISDVLSOQYMCTG-UHFFFAOYSA-N 1 1 365.481 3.443 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)C1 ZINC000081097021 493830940 /nfs/dbraw/zinc/83/09/40/493830940.db2.gz ONBUUYZMKJOBSA-QUCCMNQESA-N 1 1 370.541 3.212 20 30 FGEDMO C[C@@H](C[NH+]1CCCCC1)NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000571225820 505683717 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FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCC(=O)OC(C)(C)C)c(C#N)c1C ZINC000076416570 493889729 /nfs/dbraw/zinc/88/97/29/493889729.db2.gz DRRFXDXPIWDQPZ-CYBMUJFWSA-N 1 1 363.458 3.149 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCCC(=O)OC(C)(C)C)c(C#N)c1C ZINC000076416570 493889731 /nfs/dbraw/zinc/88/97/31/493889731.db2.gz DRRFXDXPIWDQPZ-CYBMUJFWSA-N 1 1 363.458 3.149 20 30 FGEDMO Cc1ccc(C[C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081513431 493908210 /nfs/dbraw/zinc/90/82/10/493908210.db2.gz LXGWSKCTFYNHIC-HXUWFJFHSA-N 1 1 368.502 3.348 20 30 FGEDMO Cc1ccc(C[C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000081513431 493908214 /nfs/dbraw/zinc/90/82/14/493908214.db2.gz LXGWSKCTFYNHIC-HXUWFJFHSA-N 1 1 368.502 3.348 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000069047647 493912509 /nfs/dbraw/zinc/91/25/09/493912509.db2.gz XPNVSOWWPHHIQV-IBGZPJMESA-N 1 1 357.498 3.294 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCOc3ccccc3C2)c(OC)c1 ZINC000076547884 493919628 /nfs/dbraw/zinc/91/96/28/493919628.db2.gz UDJCKCKZGNRCBP-IBGZPJMESA-N 1 1 369.461 3.058 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCOc3ccccc3C2)c(OC)c1 ZINC000076547884 493919632 /nfs/dbraw/zinc/91/96/32/493919632.db2.gz UDJCKCKZGNRCBP-IBGZPJMESA-N 1 1 369.461 3.058 20 30 FGEDMO C[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000031106736 493925658 /nfs/dbraw/zinc/92/56/58/493925658.db2.gz KRMFXKGUQLBDHE-IAGOWNOFSA-N 1 1 362.477 3.365 20 30 FGEDMO C=CCc1ccc(OCC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(OC)c1 ZINC000060395229 493930282 /nfs/dbraw/zinc/93/02/82/493930282.db2.gz UPZZUNMSDGWJOB-UHFFFAOYSA-N 1 1 374.525 3.381 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccsc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477371 493938108 /nfs/dbraw/zinc/93/81/08/493938108.db2.gz MJHXPUSTSWNHEM-CYBMUJFWSA-N 1 1 371.462 3.428 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477371 493938112 /nfs/dbraw/zinc/93/81/12/493938112.db2.gz MJHXPUSTSWNHEM-CYBMUJFWSA-N 1 1 371.462 3.428 20 30 FGEDMO Cc1ccc(-c2nc(C(=O)NC3(C#N)CC[NH+](C)CC3)cs2)c(C)c1 ZINC000069261399 493945022 /nfs/dbraw/zinc/94/50/22/493945022.db2.gz FEMUVMGHRBFJAB-UHFFFAOYSA-N 1 1 354.479 3.145 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000051405559 493967496 /nfs/dbraw/zinc/96/74/96/493967496.db2.gz OERUTGNOFPVKHO-UXHICEINSA-N 1 1 354.425 3.144 20 30 FGEDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000069526809 493980165 /nfs/dbraw/zinc/98/01/65/493980165.db2.gz CVQOJSGOXUXCAT-SFHVURJKSA-N 1 1 363.461 3.066 20 30 FGEDMO CCCC[N@H+](C)CC1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000052209547 494011430 /nfs/dbraw/zinc/01/14/30/494011430.db2.gz IZBOFECQZSBZRF-UHFFFAOYSA-N 1 1 370.541 3.377 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000052209547 494011433 /nfs/dbraw/zinc/01/14/33/494011433.db2.gz IZBOFECQZSBZRF-UHFFFAOYSA-N 1 1 370.541 3.377 20 30 FGEDMO C[NH+]1CCC(C#N)(NC(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 ZINC000077037406 494012657 /nfs/dbraw/zinc/01/26/57/494012657.db2.gz CEZNFLSTFGZJKA-UHFFFAOYSA-N 1 1 351.475 3.231 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000577257882 505695559 /nfs/dbraw/zinc/69/55/59/505695559.db2.gz AUARUFCGWJUBKW-OAHLLOKOSA-N 1 1 356.470 3.295 20 30 FGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccc(OC)c(OC)c1 ZINC000077248374 494042140 /nfs/dbraw/zinc/04/21/40/494042140.db2.gz MAELDZLNBMTLLX-UHFFFAOYSA-N 1 1 370.449 3.485 20 30 FGEDMO CCCOc1cccc(CNC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000052580979 494042869 /nfs/dbraw/zinc/04/28/69/494042869.db2.gz RPNKUUXMDYUZIC-UHFFFAOYSA-N 1 1 351.450 3.095 20 30 FGEDMO CCCOc1cccc(CNC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000052580979 494042871 /nfs/dbraw/zinc/04/28/71/494042871.db2.gz RPNKUUXMDYUZIC-UHFFFAOYSA-N 1 1 351.450 3.095 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000077269888 494044894 /nfs/dbraw/zinc/04/48/94/494044894.db2.gz RQSOFJKMJIVPNO-GOSISDBHSA-N 1 1 356.422 3.220 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000077275862 494046596 /nfs/dbraw/zinc/04/65/96/494046596.db2.gz COXOBZFUNUWNKK-NRFANRHFSA-N 1 1 352.434 3.191 20 30 FGEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc(C#N)cs3)c2)C[C@@H](C)O1 ZINC000084112706 494048810 /nfs/dbraw/zinc/04/88/10/494048810.db2.gz JLRKADUSZUOXKK-ZIAGYGMSSA-N 1 1 355.463 3.481 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063495128 494060604 /nfs/dbraw/zinc/06/06/04/494060604.db2.gz GUBFVQOJDMUDMZ-QGZVFWFLSA-N 1 1 364.367 3.449 20 30 FGEDMO COc1cc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc(OC)c1 ZINC000063750905 494083318 /nfs/dbraw/zinc/08/33/18/494083318.db2.gz WHGYGORDGUUWGU-UHFFFAOYSA-N 1 1 367.449 3.425 20 30 FGEDMO COc1cc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc(OC)c1 ZINC000063750905 494083320 /nfs/dbraw/zinc/08/33/20/494083320.db2.gz WHGYGORDGUUWGU-UHFFFAOYSA-N 1 1 367.449 3.425 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC000064793794 494148883 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30 FGEDMO CCN(CCC#N)C(=O)C[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000111242093 495052884 /nfs/dbraw/zinc/05/28/84/495052884.db2.gz GAELVVUJKRINSE-OAQYLSRUSA-N 1 1 369.440 3.275 20 30 FGEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000118974854 495062375 /nfs/dbraw/zinc/06/23/75/495062375.db2.gz MROBYJOGKNSGDP-QUCCMNQESA-N 1 1 355.482 3.050 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2C(C)(C)O)ccc1Cl ZINC000119014087 495070577 /nfs/dbraw/zinc/07/05/77/495070577.db2.gz LUHKDJIQQDUIID-KRWDZBQOSA-N 1 1 363.889 3.130 20 30 FGEDMO C=CCC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000123064349 495075122 /nfs/dbraw/zinc/07/51/22/495075122.db2.gz NVJWWAISGYWUBR-ZDUSSCGKSA-N 1 1 357.281 3.078 20 30 FGEDMO C=CCOc1ccc(CN2CCC(C[NH+]3CCOCC3)CC2)cc1Cl ZINC000134064496 495100976 /nfs/dbraw/zinc/10/09/76/495100976.db2.gz LBCBQZAUYOHYOC-UHFFFAOYSA-N 1 1 364.917 3.449 20 30 FGEDMO C=CCCn1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nn1 ZINC000574392992 505763153 /nfs/dbraw/zinc/76/31/53/505763153.db2.gz KPAKHORLOKLXII-SFHVURJKSA-N 1 1 373.888 3.075 20 30 FGEDMO N#CC1(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCC1 ZINC000128679639 495134200 /nfs/dbraw/zinc/13/42/00/495134200.db2.gz YLLUXQKUIWXARE-UHFFFAOYSA-N 1 1 365.399 3.434 20 30 FGEDMO N#CC1(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CCC1 ZINC000128679639 495134204 /nfs/dbraw/zinc/13/42/04/495134204.db2.gz YLLUXQKUIWXARE-UHFFFAOYSA-N 1 1 365.399 3.434 20 30 FGEDMO CC[C@@H](O)C[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000134476898 495155621 /nfs/dbraw/zinc/15/56/21/495155621.db2.gz DIGXBAYRWBWUGN-LJQANCHMSA-N 1 1 354.450 3.219 20 30 FGEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000103140953 495198528 /nfs/dbraw/zinc/19/85/28/495198528.db2.gz VFJWKKKDRKSGKR-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000103140953 495198529 /nfs/dbraw/zinc/19/85/29/495198529.db2.gz VFJWKKKDRKSGKR-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO C[C@H]1C[C@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1C ZINC000124009799 495220977 /nfs/dbraw/zinc/22/09/77/495220977.db2.gz FLALOJGWBPZXEB-LSDHHAIUSA-N 1 1 374.554 3.242 20 30 FGEDMO C=CCCS(=O)(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000119709065 495223333 /nfs/dbraw/zinc/22/33/33/495223333.db2.gz PBDTVPMLYUGHTM-CALCHBBNSA-N 1 1 350.528 3.160 20 30 FGEDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000112985702 495263608 /nfs/dbraw/zinc/26/36/08/495263608.db2.gz IZAUMDGUNNKEGP-KRWDZBQOSA-N 1 1 372.513 3.389 20 30 FGEDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000112985702 495263609 /nfs/dbraw/zinc/26/36/09/495263609.db2.gz IZAUMDGUNNKEGP-KRWDZBQOSA-N 1 1 372.513 3.389 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241898 495267743 /nfs/dbraw/zinc/26/77/43/495267743.db2.gz FSZIYONWABRLQT-UHFFFAOYSA-N 1 1 364.405 3.460 20 30 FGEDMO CC(C)Cc1ncc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)s1 ZINC000129707323 495283536 /nfs/dbraw/zinc/28/35/36/495283536.db2.gz FEQIAOMLDUGTPD-UHFFFAOYSA-N 1 1 355.511 3.321 20 30 FGEDMO CC(C)Cc1ncc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)s1 ZINC000129707323 495283540 /nfs/dbraw/zinc/28/35/40/495283540.db2.gz FEQIAOMLDUGTPD-UHFFFAOYSA-N 1 1 355.511 3.321 20 30 FGEDMO N#CCCn1cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(-c2ccccc2)n1 ZINC000129916221 495313994 /nfs/dbraw/zinc/31/39/94/495313994.db2.gz YCSGKBONHSPPHG-QGZVFWFLSA-N 1 1 350.466 3.465 20 30 FGEDMO CC#CCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000135961290 495346276 /nfs/dbraw/zinc/34/62/76/495346276.db2.gz OXLZAKZTSBISIY-UHFFFAOYSA-N 1 1 354.281 3.280 20 30 FGEDMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000114501630 495386903 /nfs/dbraw/zinc/38/69/03/495386903.db2.gz POLKNBDNTUVXRV-QWHCGFSZSA-N 1 1 371.412 3.392 20 30 FGEDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114680808 495408099 /nfs/dbraw/zinc/40/80/99/495408099.db2.gz AVQYMLXCVMUUEB-SFHVURJKSA-N 1 1 363.461 3.209 20 30 FGEDMO Cc1[nH+]cn(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1C ZINC000106440755 495456293 /nfs/dbraw/zinc/45/62/93/495456293.db2.gz PZYFOTNFIZTOGE-UHFFFAOYSA-N 1 1 351.410 3.070 20 30 FGEDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000130977765 495474836 /nfs/dbraw/zinc/47/48/36/495474836.db2.gz FCJPOYKOWOONDN-PUAOIOHZSA-N 1 1 356.491 3.336 20 30 FGEDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C12CCC2 ZINC000120909641 495483245 /nfs/dbraw/zinc/48/32/45/495483245.db2.gz JZOUOUJFIYZLQL-DLBZAZTESA-N 1 1 352.438 3.388 20 30 FGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C12CCC2 ZINC000120909641 495483248 /nfs/dbraw/zinc/48/32/48/495483248.db2.gz JZOUOUJFIYZLQL-DLBZAZTESA-N 1 1 352.438 3.388 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000139823785 495484459 /nfs/dbraw/zinc/48/44/59/495484459.db2.gz JTQDLGOYCUBYAS-WMZOPIPTSA-N 1 1 359.539 3.319 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115376210 495497233 /nfs/dbraw/zinc/49/72/33/495497233.db2.gz MDYSWNUTDNVITJ-LJQANCHMSA-N 1 1 363.461 3.209 20 30 FGEDMO N#Cc1ccc([C@@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C(N)=O)cc1 ZINC000115596995 495520647 /nfs/dbraw/zinc/52/06/47/495520647.db2.gz QPTPKNRMJHBTGP-JOCHJYFZSA-N 1 1 371.440 3.453 20 30 FGEDMO CC(C)C[C@@H](CO)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000185326076 495533231 /nfs/dbraw/zinc/53/32/31/495533231.db2.gz NHJSVVBMEWPKNO-AWEZNQCLSA-N 1 1 363.527 3.166 20 30 FGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCSCc1ccccc1C#N ZINC000173496101 495558560 /nfs/dbraw/zinc/55/85/60/495558560.db2.gz GAWNZZVPUAHWAJ-IBGZPJMESA-N 1 1 374.554 3.307 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C1(C)C ZINC000173521187 495570280 /nfs/dbraw/zinc/57/02/80/495570280.db2.gz RMYDQWBFLIZQPQ-IAGOWNOFSA-N 1 1 361.511 3.376 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1(C)C ZINC000173521187 495570289 /nfs/dbraw/zinc/57/02/89/495570289.db2.gz RMYDQWBFLIZQPQ-IAGOWNOFSA-N 1 1 361.511 3.376 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccncc3)C2)cc1Cl ZINC000580580288 505791039 /nfs/dbraw/zinc/79/10/39/505791039.db2.gz GMWKVCIKIIKWPE-INIZCTEOSA-N 1 1 354.841 3.425 20 30 FGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000150765614 495627984 /nfs/dbraw/zinc/62/79/84/495627984.db2.gz VPQAVHARHUNEIF-HXUWFJFHSA-N 1 1 354.498 3.234 20 30 FGEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000170878169 495638110 /nfs/dbraw/zinc/63/81/10/495638110.db2.gz FZZCHPPHKGAIDT-ZDUSSCGKSA-N 1 1 352.385 3.013 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000179755471 495720834 /nfs/dbraw/zinc/72/08/34/495720834.db2.gz VLHQFFDWZUASTO-UHFFFAOYSA-N 1 1 372.513 3.469 20 30 FGEDMO N#CCSCCC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000173867409 495725360 /nfs/dbraw/zinc/72/53/60/495725360.db2.gz MWRLOVYCLLQIIE-UHFFFAOYSA-N 1 1 371.428 3.110 20 30 FGEDMO C=CCn1c(C2CC2)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000568891182 505801598 /nfs/dbraw/zinc/80/15/98/505801598.db2.gz QHXDEQKKJRNRFS-SJORKVTESA-N 1 1 351.498 3.441 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000151168558 495760273 /nfs/dbraw/zinc/76/02/73/495760273.db2.gz JYKLIWNRCXDBMR-SFHVURJKSA-N 1 1 368.525 3.473 20 30 FGEDMO COC(=O)c1cccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1C#N ZINC000571744679 505804531 /nfs/dbraw/zinc/80/45/31/505804531.db2.gz PEROCKKRFWPMMG-UHFFFAOYSA-N 1 1 368.408 3.279 20 30 FGEDMO Cn1cc(CN2CCC[N@H+](C3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180019529 495824729 /nfs/dbraw/zinc/82/47/29/495824729.db2.gz UKKPAAYCVWHLHL-UHFFFAOYSA-N 1 1 363.509 3.409 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000571753419 505806718 /nfs/dbraw/zinc/80/67/18/505806718.db2.gz JEKHOUDJIUXCKC-DBVUQKKJSA-N 1 1 357.498 3.061 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171387165 495851056 /nfs/dbraw/zinc/85/10/56/495851056.db2.gz DCCQBLZOKBKVQS-GSVIPDFHSA-N 1 1 374.573 3.114 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000155177874 495863523 /nfs/dbraw/zinc/86/35/23/495863523.db2.gz VGVXYQGOQGDGJG-KUHUBIRLSA-N 1 1 369.415 3.477 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000176969284 495863734 /nfs/dbraw/zinc/86/37/34/495863734.db2.gz NVESMSZZEQGSRW-AWEZNQCLSA-N 1 1 366.412 3.355 20 30 FGEDMO C=CCCCN(C)C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151516641 495863909 /nfs/dbraw/zinc/86/39/09/495863909.db2.gz IRYYWQURKSRSJS-WOJBJXKFSA-N 1 1 359.514 3.274 20 30 FGEDMO C=CCCCN(C)C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151516641 495863914 /nfs/dbraw/zinc/86/39/14/495863914.db2.gz IRYYWQURKSRSJS-WOJBJXKFSA-N 1 1 359.514 3.274 20 30 FGEDMO C=CCCOCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000155194642 495870025 /nfs/dbraw/zinc/87/00/25/495870025.db2.gz QIJGKODOIZKBHJ-SFHVURJKSA-N 1 1 370.415 3.150 20 30 FGEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1OC ZINC000180144923 495879159 /nfs/dbraw/zinc/87/91/59/495879159.db2.gz XZJNEMYZJLVMNV-NQIIRXRSSA-N 1 1 366.461 3.435 20 30 FGEDMO COc1cccc([C@@H]2[C@H](NC(=O)c3sccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000183238939 495892656 /nfs/dbraw/zinc/89/26/56/495892656.db2.gz PWDIJWHAKNNCQX-QZTJIDSGSA-N 1 1 367.474 3.336 20 30 FGEDMO COc1cccc([C@@H]2[C@H](NC(=O)c3sccc3C#N)CC[N@H+]2C2CC2)c1 ZINC000183238939 495892660 /nfs/dbraw/zinc/89/26/60/495892660.db2.gz PWDIJWHAKNNCQX-QZTJIDSGSA-N 1 1 367.474 3.336 20 30 FGEDMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000183411026 495971234 /nfs/dbraw/zinc/97/12/34/495971234.db2.gz PUPYNBONIXOHEO-HOTGVXAUSA-N 1 1 353.445 3.019 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151917414 495991446 /nfs/dbraw/zinc/99/14/46/495991446.db2.gz JQEQJNYBKMBDFI-ROUUACIJSA-N 1 1 353.422 3.068 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160603623 496001727 /nfs/dbraw/zinc/00/17/27/496001727.db2.gz FQGOURLSKIIWTD-CBGDNZLLSA-N 1 1 373.472 3.088 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000152009284 496020142 /nfs/dbraw/zinc/02/01/42/496020142.db2.gz LZUJYVQIVGZCMN-KRWDZBQOSA-N 1 1 356.853 3.204 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000152009284 496020144 /nfs/dbraw/zinc/02/01/44/496020144.db2.gz LZUJYVQIVGZCMN-KRWDZBQOSA-N 1 1 356.853 3.204 20 30 FGEDMO Cc1c2cc(C#N)ccc2sc1-c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000577929105 505819680 /nfs/dbraw/zinc/81/96/80/505819680.db2.gz KDKGKZSKMXYWFS-AWEZNQCLSA-N 1 1 353.451 3.050 20 30 FGEDMO Cc1c2cc(C#N)ccc2sc1-c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000577929105 505819682 /nfs/dbraw/zinc/81/96/82/505819682.db2.gz KDKGKZSKMXYWFS-AWEZNQCLSA-N 1 1 353.451 3.050 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000177396390 496045861 /nfs/dbraw/zinc/04/58/61/496045861.db2.gz CKZPCNVLMANCER-IRXDYDNUSA-N 1 1 370.474 3.097 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000171888521 496076334 /nfs/dbraw/zinc/07/63/34/496076334.db2.gz YLCZAJNXFKIVJX-UHFFFAOYSA-N 1 1 365.477 3.488 20 30 FGEDMO COC(=O)C[N@@H+]1CCC[C@@H](CNc2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000577949343 505826059 /nfs/dbraw/zinc/82/60/59/505826059.db2.gz HXGKYBIPENPSLD-ZDUSSCGKSA-N 1 1 372.856 3.057 20 30 FGEDMO COC(=O)C[N@H+]1CCC[C@@H](CNc2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000577949343 505826061 /nfs/dbraw/zinc/82/60/61/505826061.db2.gz HXGKYBIPENPSLD-ZDUSSCGKSA-N 1 1 372.856 3.057 20 30 FGEDMO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)NC1(C#N)CCCCC1)CCC2 ZINC000152503999 496171060 /nfs/dbraw/zinc/17/10/60/496171060.db2.gz JCEAFMCAWLUAPU-OAHLLOKOSA-N 1 1 360.527 3.357 20 30 FGEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)NC1(C#N)CCCCC1)CCC2 ZINC000152503999 496171066 /nfs/dbraw/zinc/17/10/66/496171066.db2.gz JCEAFMCAWLUAPU-OAHLLOKOSA-N 1 1 360.527 3.357 20 30 FGEDMO C=CCN1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000172119947 496173309 /nfs/dbraw/zinc/17/33/09/496173309.db2.gz SSSDPUAYBMCCJA-UHFFFAOYSA-N 1 1 358.467 3.458 20 30 FGEDMO Cc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(C)n1 ZINC000186901784 496202161 /nfs/dbraw/zinc/20/21/61/496202161.db2.gz ZEZJECAONBHACL-UHFFFAOYSA-N 1 1 357.461 3.441 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000177923228 496253094 /nfs/dbraw/zinc/25/30/94/496253094.db2.gz AGLCPHVCPMLUGC-KDOFPFPSSA-N 1 1 367.428 3.124 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181138502 496282941 /nfs/dbraw/zinc/28/29/41/496282941.db2.gz LUOAIKOONMDDNY-CQSZACIVSA-N 1 1 365.271 3.484 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181138502 496282949 /nfs/dbraw/zinc/28/29/49/496282949.db2.gz LUOAIKOONMDDNY-CQSZACIVSA-N 1 1 365.271 3.484 20 30 FGEDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181138520 496283602 /nfs/dbraw/zinc/28/36/02/496283602.db2.gz LUOAIKOONMDDNY-AWEZNQCLSA-N 1 1 365.271 3.484 20 30 FGEDMO 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358.438 3.355 20 30 FGEDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000411686269 499777731 /nfs/dbraw/zinc/77/77/31/499777731.db2.gz XETJIKJWCDRHBN-SFHVURJKSA-N 1 1 351.454 3.330 20 30 FGEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000411686269 499777733 /nfs/dbraw/zinc/77/77/33/499777733.db2.gz XETJIKJWCDRHBN-SFHVURJKSA-N 1 1 351.454 3.330 20 30 FGEDMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1Cl ZINC000412023730 499813743 /nfs/dbraw/zinc/81/37/43/499813743.db2.gz AIRHTUJCJKKPMS-MRXNPFEDSA-N 1 1 360.841 3.092 20 30 FGEDMO COc1ccc(C[N@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1Cl ZINC000412038009 499815664 /nfs/dbraw/zinc/81/56/64/499815664.db2.gz IRAKQTIUMLREQN-SFHVURJKSA-N 1 1 369.852 3.458 20 30 FGEDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1Cl ZINC000412038009 499815665 /nfs/dbraw/zinc/81/56/65/499815665.db2.gz IRAKQTIUMLREQN-SFHVURJKSA-N 1 1 369.852 3.458 20 30 FGEDMO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C(C)C)[C@H](C)c2ccccc2)CC1 ZINC000428871555 499951613 /nfs/dbraw/zinc/95/16/13/499951613.db2.gz JQULKOBVZPAEKR-CTNGQTDRSA-N 1 1 370.541 3.150 20 30 FGEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000421096440 499952216 /nfs/dbraw/zinc/95/22/16/499952216.db2.gz XYRNLQXRGUPFDY-AWEZNQCLSA-N 1 1 370.375 3.057 20 30 FGEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000421115471 499960784 /nfs/dbraw/zinc/96/07/84/499960784.db2.gz HKAQKNXWDOWEEE-ZDUSSCGKSA-N 1 1 356.348 3.015 20 30 FGEDMO C[C@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428965655 499970346 /nfs/dbraw/zinc/97/03/46/499970346.db2.gz RXJKSIJKGKYFNM-IERDGZPVSA-N 1 1 354.425 3.239 20 30 FGEDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000428965655 499970347 /nfs/dbraw/zinc/97/03/47/499970347.db2.gz RXJKSIJKGKYFNM-IERDGZPVSA-N 1 1 354.425 3.239 20 30 FGEDMO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000421364773 500027467 /nfs/dbraw/zinc/02/74/67/500027467.db2.gz SSLXLPBFHPTLSH-RHSMWYFYSA-N 1 1 354.454 3.148 20 30 FGEDMO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000421364773 500027471 /nfs/dbraw/zinc/02/74/71/500027471.db2.gz SSLXLPBFHPTLSH-RHSMWYFYSA-N 1 1 354.454 3.148 20 30 FGEDMO Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416701644 500091643 /nfs/dbraw/zinc/09/16/43/500091643.db2.gz YWTROWYMDZAIOT-IBGZPJMESA-N 1 1 351.454 3.220 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000429704590 500127031 /nfs/dbraw/zinc/12/70/31/500127031.db2.gz AMBBSCGTINABHO-CQSZACIVSA-N 1 1 357.420 3.472 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000425534408 500136293 /nfs/dbraw/zinc/13/62/93/500136293.db2.gz LYLSPMHWUQSKPJ-OAHLLOKOSA-N 1 1 357.479 3.002 20 30 FGEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000429929156 500167728 /nfs/dbraw/zinc/16/77/28/500167728.db2.gz RNUWFRQYPGLZQC-OKILXGFUSA-N 1 1 371.506 3.311 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+](CC)[C@H](C)CO)cc1OC ZINC000430107728 500193827 /nfs/dbraw/zinc/19/38/27/500193827.db2.gz XYRISLFWLVWJCT-GFCCVEGCSA-N 1 1 358.276 3.225 20 30 FGEDMO COCCCOc1cccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430183824 500205693 /nfs/dbraw/zinc/20/56/93/500205693.db2.gz ZOIRFHKUTAWVAW-FQEVSTJZSA-N 1 1 367.449 3.022 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000426367837 500265237 /nfs/dbraw/zinc/26/52/37/500265237.db2.gz WBMOGROQEKJFDR-MOPGFXCFSA-N 1 1 359.539 3.354 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000426367837 500265239 /nfs/dbraw/zinc/26/52/39/500265239.db2.gz WBMOGROQEKJFDR-MOPGFXCFSA-N 1 1 359.539 3.354 20 30 FGEDMO COCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(Br)s1 ZINC000426378447 500266997 /nfs/dbraw/zinc/26/69/97/500266997.db2.gz GPPIHXTWCJSWEA-UHFFFAOYSA-N 1 1 368.300 3.369 20 30 FGEDMO COCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(Br)s1 ZINC000426378447 500267000 /nfs/dbraw/zinc/26/70/00/500267000.db2.gz GPPIHXTWCJSWEA-UHFFFAOYSA-N 1 1 368.300 3.369 20 30 FGEDMO COCC[N@H+](CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426404997 500270238 /nfs/dbraw/zinc/27/02/38/500270238.db2.gz PGEYVRWYTZRMOA-UHFFFAOYSA-N 1 1 371.506 3.366 20 30 FGEDMO COCC[N@@H+](CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426404997 500270240 /nfs/dbraw/zinc/27/02/40/500270240.db2.gz PGEYVRWYTZRMOA-UHFFFAOYSA-N 1 1 371.506 3.366 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000426553540 500288817 /nfs/dbraw/zinc/28/88/17/500288817.db2.gz QAUBCGSTWAICDS-WMZOPIPTSA-N 1 1 360.498 3.481 20 30 FGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 ZINC000426553538 500288834 /nfs/dbraw/zinc/28/88/34/500288834.db2.gz QAUBCGSTWAICDS-FUHWJXTLSA-N 1 1 360.498 3.481 20 30 FGEDMO C=C(C)Cn1c(CC)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000576573888 506190258 /nfs/dbraw/zinc/19/02/58/506190258.db2.gz YILCLCQUMDFCSY-UHFFFAOYSA-N 1 1 364.497 3.001 20 30 FGEDMO CCC[C@@H]1CN(C(=O)NCC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431199923 500348825 /nfs/dbraw/zinc/34/88/25/500348825.db2.gz VEPNKOKWDVGAMO-LJQANCHMSA-N 1 1 354.498 3.376 20 30 FGEDMO Cn1c2cc(F)ccc2[nH+]c1NC1CCC(Oc2ncccc2C#N)CC1 ZINC000431432159 500376771 /nfs/dbraw/zinc/37/67/71/500376771.db2.gz IQOXPVHTCFUOQQ-UHFFFAOYSA-N 1 1 365.412 3.203 20 30 FGEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000419637846 500386672 /nfs/dbraw/zinc/38/66/72/500386672.db2.gz KSNJPTRZAYFDHD-YLJYHZDGSA-N 1 1 354.498 3.309 20 30 FGEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)[C@H](C(F)(F)F)C1 ZINC000431721368 500414587 /nfs/dbraw/zinc/41/45/87/500414587.db2.gz HDOMZINPDHIWMR-RBSFLKMASA-N 1 1 371.378 3.415 20 30 FGEDMO N#Cc1cncc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000420616489 500478517 /nfs/dbraw/zinc/47/85/17/500478517.db2.gz SAXVMIOKOAODFU-UHFFFAOYSA-N 1 1 362.264 3.020 20 30 FGEDMO C[C@]1(CNC(=O)CNc2ccc(C#N)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000428327733 500496027 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CC(C)(NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000596097909 506257621 /nfs/dbraw/zinc/25/76/21/506257621.db2.gz JSLDFGRZHDFKQV-FQEVSTJZSA-N 1 1 362.477 3.367 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459034732 501580526 /nfs/dbraw/zinc/58/05/26/501580526.db2.gz SKAWDFXTBKCXIT-NBYUQASBSA-N 1 1 357.498 3.024 20 30 FGEDMO CCOc1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000459297073 501626423 /nfs/dbraw/zinc/62/64/23/501626423.db2.gz FDQFEJOWOCYPHF-UHFFFAOYSA-N 1 1 365.477 3.370 20 30 FGEDMO CCOc1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000459297073 501626424 /nfs/dbraw/zinc/62/64/24/501626424.db2.gz FDQFEJOWOCYPHF-UHFFFAOYSA-N 1 1 365.477 3.370 20 30 FGEDMO CCOc1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000459297073 501626426 /nfs/dbraw/zinc/62/64/26/501626426.db2.gz FDQFEJOWOCYPHF-UHFFFAOYSA-N 1 1 365.477 3.370 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454814549 501636014 /nfs/dbraw/zinc/63/60/14/501636014.db2.gz YIZAHOJAPGQRCI-YWZLYKJASA-N 1 1 366.440 3.017 20 30 FGEDMO C=CCC1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCCC1 ZINC000454829497 501638664 /nfs/dbraw/zinc/63/86/64/501638664.db2.gz YKOPIZLJLYCUAX-HXUWFJFHSA-N 1 1 371.525 3.189 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000459433493 501653027 /nfs/dbraw/zinc/65/30/27/501653027.db2.gz GTSMUEIQFPULKT-UHFFFAOYSA-N 1 1 365.437 3.379 20 30 FGEDMO COc1ccc(CN2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)CC2=O)cc1 ZINC000467233945 501747476 /nfs/dbraw/zinc/74/74/76/501747476.db2.gz XQOAMSORCOMZJG-QGZVFWFLSA-N 1 1 363.461 3.362 20 30 FGEDMO COc1ccc(CN2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)CC2=O)cc1 ZINC000467233945 501747480 /nfs/dbraw/zinc/74/74/80/501747480.db2.gz XQOAMSORCOMZJG-QGZVFWFLSA-N 1 1 363.461 3.362 20 30 FGEDMO COc1ccc(CN2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CC2=O)cc1 ZINC000467233944 501747607 /nfs/dbraw/zinc/74/76/07/501747607.db2.gz XQOAMSORCOMZJG-KRWDZBQOSA-N 1 1 363.461 3.362 20 30 FGEDMO COc1ccc(CN2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)CC2=O)cc1 ZINC000467233944 501747614 /nfs/dbraw/zinc/74/76/14/501747614.db2.gz XQOAMSORCOMZJG-KRWDZBQOSA-N 1 1 363.461 3.362 20 30 FGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000481388110 501759596 /nfs/dbraw/zinc/75/95/96/501759596.db2.gz CYIKZFQVPGAZIY-YOEHRIQHSA-N 1 1 352.400 3.294 20 30 FGEDMO N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000485244351 501767416 /nfs/dbraw/zinc/76/74/16/501767416.db2.gz RRLLSZAUSVTMOY-UHFFFAOYSA-N 1 1 351.425 3.226 20 30 FGEDMO CC(C)(C)CN(CCC#N)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000477769271 501781794 /nfs/dbraw/zinc/78/17/94/501781794.db2.gz KPXSCBOCMLQLNH-IBGZPJMESA-N 1 1 357.498 3.066 20 30 FGEDMO CC(C)(C)CN(CCC#N)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000477769271 501781799 /nfs/dbraw/zinc/78/17/99/501781799.db2.gz KPXSCBOCMLQLNH-IBGZPJMESA-N 1 1 357.498 3.066 20 30 FGEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460550796 501858961 /nfs/dbraw/zinc/85/89/61/501858961.db2.gz IBSVTAZSEMMRLK-PKOBYXMFSA-N 1 1 371.529 3.399 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004509 501888341 /nfs/dbraw/zinc/88/83/41/501888341.db2.gz HVQOTIVOPLVARY-PMACEKPBSA-N 1 1 360.933 3.397 20 30 FGEDMO CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000471017724 501893313 /nfs/dbraw/zinc/89/33/13/501893313.db2.gz JMIJSBSEWKOWAR-HUUCEWRRSA-N 1 1 362.905 3.202 20 30 FGEDMO Cc1cccc(N2CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000485797515 501942585 /nfs/dbraw/zinc/94/25/85/501942585.db2.gz BIYHUOUBIFNTLZ-QFIPXVFZSA-N 1 1 374.488 3.184 20 30 FGEDMO C[N@@H+](CCCOc1ccccc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485815215 501948100 /nfs/dbraw/zinc/94/81/00/501948100.db2.gz MNDHQNWBKPQFQW-OAQYLSRUSA-N 1 1 363.461 3.455 20 30 FGEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000460942733 501965514 /nfs/dbraw/zinc/96/55/14/501965514.db2.gz DCTBSDUBCNXSHW-IAGOWNOFSA-N 1 1 357.502 3.151 20 30 FGEDMO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000468270831 502012246 /nfs/dbraw/zinc/01/22/46/502012246.db2.gz PVEJGXCMNOKWQW-GOSISDBHSA-N 1 1 367.468 3.420 20 30 FGEDMO C=CCOc1cccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)c1 ZINC000475099317 502058159 /nfs/dbraw/zinc/05/81/59/502058159.db2.gz WVKKCIDKFVAUKF-OALUTQOASA-N 1 1 370.472 3.086 20 30 FGEDMO C=CCN(CCOC)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000478788082 502085417 /nfs/dbraw/zinc/08/54/17/502085417.db2.gz QWFHPEWACWEKJU-GOSISDBHSA-N 1 1 359.514 3.405 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000464821669 502106334 /nfs/dbraw/zinc/10/63/34/502106334.db2.gz JBNIEZOJYDYZSQ-LSDHHAIUSA-N 1 1 360.502 3.072 20 30 FGEDMO C[C@H](CNC(=O)CSc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000482542035 502106701 /nfs/dbraw/zinc/10/67/01/502106701.db2.gz FJLSUVMURBHBCA-MRXNPFEDSA-N 1 1 365.502 3.213 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cc(C#N)cn2C)C1 ZINC000471681211 502107163 /nfs/dbraw/zinc/10/71/63/502107163.db2.gz UXZVJTPJCLIWNB-CALCHBBNSA-N 1 1 364.493 3.305 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(c3ncnc4cc(F)c(F)cc43)CC2)cc1 ZINC000461461580 502123542 /nfs/dbraw/zinc/12/35/42/502123542.db2.gz VMFVPEAYGNJGSV-UHFFFAOYSA-N 1 1 365.387 3.102 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)c1C#N ZINC000471806917 502141887 /nfs/dbraw/zinc/14/18/87/502141887.db2.gz ZZMPRVHDMGTJOW-UHFFFAOYSA-N 1 1 351.498 3.220 20 30 FGEDMO N#C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccccc1F ZINC000486436447 502153303 /nfs/dbraw/zinc/15/33/03/502153303.db2.gz MGNGSHDLJKFEQY-OAHLLOKOSA-N 1 1 371.322 3.339 20 30 FGEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000461616716 502154733 /nfs/dbraw/zinc/15/47/33/502154733.db2.gz ZRSOJCZUSACJDB-QGZVFWFLSA-N 1 1 367.497 3.314 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000482735169 502165041 /nfs/dbraw/zinc/16/50/41/502165041.db2.gz KWOFTYDDTOJWOZ-KRWDZBQOSA-N 1 1 359.518 3.036 20 30 FGEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000588665227 506297691 /nfs/dbraw/zinc/29/76/91/506297691.db2.gz IIGCVASYFCQFIJ-FQEVSTJZSA-N 1 1 366.465 3.302 20 30 FGEDMO CCOc1cc(N2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1[N+](=O)[O-] ZINC000475506460 502195889 /nfs/dbraw/zinc/19/58/89/502195889.db2.gz HWAKSTFXDZUMSN-UHFFFAOYSA-N 1 1 366.421 3.187 20 30 FGEDMO CCOC(=O)c1c[nH+]ccc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000479302051 502219229 /nfs/dbraw/zinc/21/92/29/502219229.db2.gz RYNYQQYDFPULCA-UHFFFAOYSA-N 1 1 370.840 3.110 20 30 FGEDMO Cc1cc(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)ccc1C#N ZINC000486653573 502221299 /nfs/dbraw/zinc/22/12/99/502221299.db2.gz FQMGMWLZDYPCJR-UHFFFAOYSA-N 1 1 372.490 3.171 20 30 FGEDMO Cc1cc(C[N@@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)ccc1C#N ZINC000486653573 502221307 /nfs/dbraw/zinc/22/13/07/502221307.db2.gz FQMGMWLZDYPCJR-UHFFFAOYSA-N 1 1 372.490 3.171 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+]([C@H]3CCc4ccc(Cl)cc43)CC2)c1C#N ZINC000472155819 502251855 /nfs/dbraw/zinc/25/18/55/502251855.db2.gz MCZWTTQFWJFYQO-SFHVURJKSA-N 1 1 355.873 3.063 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)c(C)c1 ZINC000486802365 502267309 /nfs/dbraw/zinc/26/73/09/502267309.db2.gz OVVAIRQWCYCBIT-UHFFFAOYSA-N 1 1 365.433 3.099 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)c(C)c1 ZINC000486802365 502267316 /nfs/dbraw/zinc/26/73/16/502267316.db2.gz OVVAIRQWCYCBIT-UHFFFAOYSA-N 1 1 365.433 3.099 20 30 FGEDMO OC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1OC(F)(F)F ZINC000483090006 502268264 /nfs/dbraw/zinc/26/82/64/502268264.db2.gz OVQGEYKGAOXUMO-INIZCTEOSA-N 1 1 353.315 3.399 20 30 FGEDMO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)ccn1 ZINC000475774976 502287654 /nfs/dbraw/zinc/28/76/54/502287654.db2.gz WPQVLNUUNGIJJQ-LJQANCHMSA-N 1 1 368.868 3.391 20 30 FGEDMO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)ccn1 ZINC000475774976 502287655 /nfs/dbraw/zinc/28/76/55/502287655.db2.gz WPQVLNUUNGIJJQ-LJQANCHMSA-N 1 1 368.868 3.391 20 30 FGEDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(C#N)s3)c2)C[C@H](C)O1 ZINC000487021378 502333397 /nfs/dbraw/zinc/33/33/97/502333397.db2.gz MWFZPHLDPHTYDR-KBPBESRZSA-N 1 1 355.463 3.481 20 30 FGEDMO C=CCn1c(SCCc2c[nH+]cn2C)nc2cc(Cl)ccc2c1=O ZINC000487178740 502382122 /nfs/dbraw/zinc/38/21/22/502382122.db2.gz VGBQXQHBFXEAKY-UHFFFAOYSA-N 1 1 360.870 3.304 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]([C@H](C)CO)C2CCCC2)c1 ZINC000472640128 502408407 /nfs/dbraw/zinc/40/84/07/502408407.db2.gz FSXICYJAXNTKTD-GOSISDBHSA-N 1 1 357.498 3.176 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000483633112 502448373 /nfs/dbraw/zinc/44/83/73/502448373.db2.gz FPZOVCTXCNPNNZ-UTKZUKDTSA-N 1 1 355.478 3.423 20 30 FGEDMO N#Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ccc1F ZINC000469571611 502467330 /nfs/dbraw/zinc/46/73/30/502467330.db2.gz XXKQYRNQGVJQTC-UHFFFAOYSA-N 1 1 373.378 3.370 20 30 FGEDMO CC[NH+](CC)CCCC1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000611812400 506315778 /nfs/dbraw/zinc/31/57/78/506315778.db2.gz VUHHVGYHWJSMDB-UHFFFAOYSA-N 1 1 370.541 3.008 20 30 FGEDMO N#CCCC[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccccc1 ZINC000487577099 502482248 /nfs/dbraw/zinc/48/22/48/502482248.db2.gz SHFFYJGMRRJDIY-GOSISDBHSA-N 1 1 352.438 3.435 20 30 FGEDMO C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)CCCC#N)cc2)C[C@H]1C ZINC000462547161 502482261 /nfs/dbraw/zinc/48/22/61/502482261.db2.gz ILUVWOLCGFLPQO-HDICACEKSA-N 1 1 357.498 3.006 20 30 FGEDMO CCOc1ccccc1C[N@@H+]1CCN(c2cc(C#N)nc(CC)n2)[C@H](C)C1 ZINC000596222884 506317656 /nfs/dbraw/zinc/31/76/56/506317656.db2.gz MVQDZTKCLMRXOZ-MRXNPFEDSA-N 1 1 365.481 3.020 20 30 FGEDMO CCOc1ccccc1C[N@H+]1CCN(c2cc(C#N)nc(CC)n2)[C@H](C)C1 ZINC000596222884 506317661 /nfs/dbraw/zinc/31/76/61/506317661.db2.gz MVQDZTKCLMRXOZ-MRXNPFEDSA-N 1 1 365.481 3.020 20 30 FGEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccccc1C#N ZINC000469780950 502543453 /nfs/dbraw/zinc/54/34/53/502543453.db2.gz RDYIELFVKABFDO-INIZCTEOSA-N 1 1 369.490 3.291 20 30 FGEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccccc1C#N ZINC000469780950 502543458 /nfs/dbraw/zinc/54/34/58/502543458.db2.gz RDYIELFVKABFDO-INIZCTEOSA-N 1 1 369.490 3.291 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000487961393 502581603 /nfs/dbraw/zinc/58/16/03/502581603.db2.gz VVTLNEAMLRBJGT-RYUDHWBXSA-N 1 1 365.275 3.267 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)C1CC1 ZINC000480499918 502583939 /nfs/dbraw/zinc/58/39/39/502583939.db2.gz JGQCAMDHDVUPEY-SFHVURJKSA-N 1 1 351.410 3.184 20 30 FGEDMO CC(C)[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@H+]1C ZINC000487982489 502589335 /nfs/dbraw/zinc/58/93/35/502589335.db2.gz GPVWCYNVYVZKQK-OAHLLOKOSA-N 1 1 365.275 3.125 20 30 FGEDMO C=CC[N@H+](CCCC1CCOCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000469899285 502590027 /nfs/dbraw/zinc/59/00/27/502590027.db2.gz SDWAYRUQWKHUML-QGZVFWFLSA-N 1 1 355.486 3.418 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ncccc1OCCCC#N ZINC000466617198 502624305 /nfs/dbraw/zinc/62/43/05/502624305.db2.gz AGGAMNNNQQVRFJ-QGZVFWFLSA-N 1 1 373.501 3.396 20 30 FGEDMO CCN1C[C@H](C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])Oc2ccccc21 ZINC000592996325 506325606 /nfs/dbraw/zinc/32/56/06/506325606.db2.gz DCGVBTPTZKZUHO-KRWDZBQOSA-N 1 1 366.421 3.186 20 30 FGEDMO CCN1C[C@H](C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])Oc2ccccc21 ZINC000592996325 506325617 /nfs/dbraw/zinc/32/56/17/506325617.db2.gz DCGVBTPTZKZUHO-KRWDZBQOSA-N 1 1 366.421 3.186 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000592996591 506326386 /nfs/dbraw/zinc/32/63/86/506326386.db2.gz HYODXHPQOWUMGK-UHFFFAOYSA-N 1 1 364.405 3.317 20 30 FGEDMO C[C@H]1C[N@@H+](CCCSCC#N)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000466745800 502662437 /nfs/dbraw/zinc/66/24/37/502662437.db2.gz LMMYAFFBXXAIPP-HNNXBMFYSA-N 1 1 365.930 3.062 20 30 FGEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1(C)C ZINC000477059947 502666191 /nfs/dbraw/zinc/66/61/91/502666191.db2.gz SECFLACGSOBRAK-OALUTQOASA-N 1 1 357.498 3.090 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1Cl ZINC000477066801 502667903 /nfs/dbraw/zinc/66/79/03/502667903.db2.gz GNQRPPVTTTVVGZ-LJQANCHMSA-N 1 1 361.873 3.433 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000602873179 506331971 /nfs/dbraw/zinc/33/19/71/506331971.db2.gz HOOMRFZAOOKQFT-GUYCJALGSA-N 1 1 374.554 3.098 20 30 FGEDMO Cc1nc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)ccc1C#N ZINC000467028879 502762919 /nfs/dbraw/zinc/76/29/19/502762919.db2.gz NNNICSWBWPRGNX-UHFFFAOYSA-N 1 1 373.254 3.338 20 30 FGEDMO CC[N@@H+]1[C@H](C)CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000602874005 506334226 /nfs/dbraw/zinc/33/42/26/506334226.db2.gz MJZMGFQZCJUMLX-GASCZTMLSA-N 1 1 374.554 3.242 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)c1C ZINC000602874413 506334270 /nfs/dbraw/zinc/33/42/70/506334270.db2.gz PCBQQTRONQMOFI-HXUWFJFHSA-N 1 1 370.541 3.212 20 30 FGEDMO C=CCOc1ccc(C[N@H+](CC(=O)NC(=O)NCCC)C(C)(C)C)cc1 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352.457 3.488 20 30 FGEDMO C[N@H+]1CCN(CCCNc2cccc(F)c2C#N)[C@H](c2ccccc2)C1 ZINC000513108548 502854003 /nfs/dbraw/zinc/85/40/03/502854003.db2.gz PJFLVIRFGXRYOP-NRFANRHFSA-N 1 1 352.457 3.488 20 30 FGEDMO CN1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 ZINC000489123582 502884113 /nfs/dbraw/zinc/88/41/13/502884113.db2.gz BXAMCRSHRXVZJX-NRFANRHFSA-N 1 1 360.461 3.006 20 30 FGEDMO C[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C[C@H](C)[N@@H+]1C ZINC000513268582 502892449 /nfs/dbraw/zinc/89/24/49/502892449.db2.gz PXPXEDACLZKHMV-CALCHBBNSA-N 1 1 363.461 3.302 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000496652803 502898252 /nfs/dbraw/zinc/89/82/52/502898252.db2.gz UPDQXOYPXJJHIY-IBGZPJMESA-N 1 1 361.534 3.426 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513368605 502916730 /nfs/dbraw/zinc/91/67/30/502916730.db2.gz XPDVTLGYUCPZFD-KRWDZBQOSA-N 1 1 372.488 3.069 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513368605 502916734 /nfs/dbraw/zinc/91/67/34/502916734.db2.gz XPDVTLGYUCPZFD-KRWDZBQOSA-N 1 1 372.488 3.069 20 30 FGEDMO CCc1ccc([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)cc1 ZINC000513420688 502934178 /nfs/dbraw/zinc/93/41/78/502934178.db2.gz PYMOPNRDUORELE-FQEVSTJZSA-N 1 1 352.482 3.084 20 30 FGEDMO C=CCc1cc(C[NH+]2CCN(c3cccc(OC)c3)CC2)cc(OC)c1O ZINC000505605300 502948109 /nfs/dbraw/zinc/94/81/09/502948109.db2.gz FXVGQRSVJDQMMS-UHFFFAOYSA-N 1 1 368.477 3.460 20 30 FGEDMO C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000505626739 502953064 /nfs/dbraw/zinc/95/30/64/502953064.db2.gz WNWXFXBJBARBPX-LJQANCHMSA-N 1 1 369.509 3.124 20 30 FGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000489518495 502977537 /nfs/dbraw/zinc/97/75/37/502977537.db2.gz WEVJSKUTYDOVDX-ROUUACIJSA-N 1 1 356.466 3.162 20 30 FGEDMO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc(F)cc(C#N)c1 ZINC000513619232 502981913 /nfs/dbraw/zinc/98/19/13/502981913.db2.gz JQZNCVPMMZHFCS-IBGZPJMESA-N 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C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nc(-c2cccs2)no1 ZINC000510617245 503156912 /nfs/dbraw/zinc/15/69/12/503156912.db2.gz PDXWCOGCFGRVHI-UHFFFAOYSA-N 1 1 367.434 3.130 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nc(-c2cccs2)no1 ZINC000510617245 503156914 /nfs/dbraw/zinc/15/69/14/503156914.db2.gz PDXWCOGCFGRVHI-UHFFFAOYSA-N 1 1 367.434 3.130 20 30 FGEDMO N#Cc1ccsc1NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602926333 506355168 /nfs/dbraw/zinc/35/51/68/506355168.db2.gz SLASAWBYXKURGA-CQSZACIVSA-N 1 1 367.833 3.064 20 30 FGEDMO C=CCc1ccc(OCC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000498353388 503165013 /nfs/dbraw/zinc/16/50/13/503165013.db2.gz LYPWMWVZZWYTGZ-SJORKVTESA-N 1 1 360.498 3.039 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000498419049 503183369 /nfs/dbraw/zinc/18/33/69/503183369.db2.gz HFMIIPSAAOBXNV-SJLPKXTDSA-N 1 1 359.376 3.383 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1ccc(F)c(F)c1 ZINC000498419049 503183374 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353.491 3.287 20 30 FGEDMO C[C@H](CSc1ccccc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000593047249 506358360 /nfs/dbraw/zinc/35/83/60/506358360.db2.gz XFQSYVLYWGQMCQ-MRXNPFEDSA-N 1 1 353.491 3.287 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000582674887 506359882 /nfs/dbraw/zinc/35/98/82/506359882.db2.gz RJPUHMIIEMJJKH-PMACEKPBSA-N 1 1 352.478 3.348 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c(Cl)c1 ZINC000511103252 503255934 /nfs/dbraw/zinc/25/59/34/503255934.db2.gz BWZHKQRNKNDSBZ-CYBMUJFWSA-N 1 1 373.806 3.492 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000502787441 503272013 /nfs/dbraw/zinc/27/20/13/503272013.db2.gz IDBKWQDLIMXUME-INIZCTEOSA-N 1 1 359.297 3.259 20 30 FGEDMO C=CCC[C@H](O)C[N@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000502787441 503272015 /nfs/dbraw/zinc/27/20/15/503272015.db2.gz IDBKWQDLIMXUME-INIZCTEOSA-N 1 1 359.297 3.259 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H]1C ZINC000498922728 503293938 /nfs/dbraw/zinc/29/39/38/503293938.db2.gz CVZUSRMFXKEGHQ-JKSUJKDBSA-N 1 1 362.905 3.001 20 30 FGEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)c1 ZINC000515495431 503350884 /nfs/dbraw/zinc/35/08/84/503350884.db2.gz DWGSFNJEYGORPE-SFHVURJKSA-N 1 1 355.482 3.045 20 30 FGEDMO N#CC1(NC(=O)C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)CCCCC1 ZINC000611935134 506366662 /nfs/dbraw/zinc/36/66/62/506366662.db2.gz MBCQXQCJHASVBV-FQEVSTJZSA-N 1 1 368.525 3.146 20 30 FGEDMO CC(=O)NCC[N@H+](CCC(C)(C)C#N)Cc1ccc(Br)s1 ZINC000503194799 503364452 /nfs/dbraw/zinc/36/44/52/503364452.db2.gz NTVSLBQTJJCEDX-UHFFFAOYSA-N 1 1 372.332 3.389 20 30 FGEDMO CC(=O)NCC[N@@H+](CCC(C)(C)C#N)Cc1ccc(Br)s1 ZINC000503194799 503364453 /nfs/dbraw/zinc/36/44/53/503364453.db2.gz NTVSLBQTJJCEDX-UHFFFAOYSA-N 1 1 372.332 3.389 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000588884514 506367449 /nfs/dbraw/zinc/36/74/49/506367449.db2.gz ABEDNTRYNVIUBE-SJORKVTESA-N 1 1 350.466 3.439 20 30 FGEDMO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507832601 503376651 /nfs/dbraw/zinc/37/66/51/503376651.db2.gz BBAKOORJGAVBJG-NRFANRHFSA-N 1 1 363.461 3.231 20 30 FGEDMO C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507832372 503376825 /nfs/dbraw/zinc/37/68/25/503376825.db2.gz AGWVTBKTEUMIGD-LAUBAEHRSA-N 1 1 369.509 3.439 20 30 FGEDMO C=CCN1CC[C@H](NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000493644203 503437423 /nfs/dbraw/zinc/43/74/23/503437423.db2.gz SEHDPEMOHDBWBV-UEXGIBASSA-N 1 1 355.526 3.041 20 30 FGEDMO C=CCN1CC[C@H](NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000493644203 503437425 /nfs/dbraw/zinc/43/74/25/503437425.db2.gz SEHDPEMOHDBWBV-UEXGIBASSA-N 1 1 355.526 3.041 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCOC1 ZINC000593070042 506373592 /nfs/dbraw/zinc/37/35/92/506373592.db2.gz NCFOOOWTMJYSAX-HZPDHXFCSA-N 1 1 361.511 3.378 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCCOC1 ZINC000593070042 506373596 /nfs/dbraw/zinc/37/35/96/506373596.db2.gz NCFOOOWTMJYSAX-HZPDHXFCSA-N 1 1 361.511 3.378 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000512203405 503485181 /nfs/dbraw/zinc/48/51/81/503485181.db2.gz OXQCCFKPBFCBQM-GOSISDBHSA-N 1 1 359.466 3.207 20 30 FGEDMO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508482200 503502542 /nfs/dbraw/zinc/50/25/42/503502542.db2.gz WSXGUNVRQXXDCI-KRWDZBQOSA-N 1 1 359.543 3.285 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000500073310 503546173 /nfs/dbraw/zinc/54/61/73/503546173.db2.gz MKSWMTXLFRVJDP-QGZVFWFLSA-N 1 1 352.400 3.438 20 30 FGEDMO C=CCn1c(-c2ccccc2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000508735847 503553857 /nfs/dbraw/zinc/55/38/57/503553857.db2.gz XOFRPDYDCHZVFP-IBGZPJMESA-N 1 1 369.513 3.068 20 30 FGEDMO C=CCn1c(CCCC)nnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000508800608 503566463 /nfs/dbraw/zinc/56/64/63/503566463.db2.gz GUXRNGSNVLSZHP-UHFFFAOYSA-N 1 1 369.513 3.008 20 30 FGEDMO C=CCn1c(CCCC)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000508801665 503566510 /nfs/dbraw/zinc/56/65/10/503566510.db2.gz MPHWAHHOLYNGPM-UHFFFAOYSA-N 1 1 357.477 3.268 20 30 FGEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508825805 503572003 /nfs/dbraw/zinc/57/20/03/503572003.db2.gz GFGOXOWVQHWHRG-QFHJOOASSA-N 1 1 371.529 3.015 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000516719401 503575919 /nfs/dbraw/zinc/57/59/19/503575919.db2.gz XLVGXRXJWSNTFT-KRWDZBQOSA-N 1 1 373.526 3.089 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000516800899 503590648 /nfs/dbraw/zinc/59/06/48/503590648.db2.gz GBMKCAGTCGSLKS-DYESRHJHSA-N 1 1 374.488 3.367 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000494684114 503591170 /nfs/dbraw/zinc/59/11/70/503591170.db2.gz HTQGZRLTFZSPOO-SFTDATJTSA-N 1 1 370.541 3.115 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000494684114 503591175 /nfs/dbraw/zinc/59/11/75/503591175.db2.gz HTQGZRLTFZSPOO-SFTDATJTSA-N 1 1 370.541 3.115 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000494684114 503591180 /nfs/dbraw/zinc/59/11/80/503591180.db2.gz HTQGZRLTFZSPOO-SFTDATJTSA-N 1 1 370.541 3.115 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000500390483 503613070 /nfs/dbraw/zinc/61/30/70/503613070.db2.gz CFMAUQWJFOUJQH-QUCCMNQESA-N 1 1 355.482 3.116 20 30 FGEDMO CCC[N@@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494832804 503618904 /nfs/dbraw/zinc/61/89/04/503618904.db2.gz KXMYGLNQHGTPOH-MRXNPFEDSA-N 1 1 372.513 3.088 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512812037 503637622 /nfs/dbraw/zinc/63/76/22/503637622.db2.gz OPVABFCFOKMPSP-GHMZBOCLSA-N 1 1 357.788 3.100 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512812037 503637624 /nfs/dbraw/zinc/63/76/24/503637624.db2.gz OPVABFCFOKMPSP-GHMZBOCLSA-N 1 1 357.788 3.100 20 30 FGEDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000517136144 503652839 /nfs/dbraw/zinc/65/28/39/503652839.db2.gz UTTYWOKRJFFYOD-WWMYMODYSA-N 1 1 369.509 3.485 20 30 FGEDMO CC[C@]1(O)CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000495231768 503706749 /nfs/dbraw/zinc/70/67/49/503706749.db2.gz PUUDSFNAMYAVDF-NRFANRHFSA-N 1 1 372.513 3.267 20 30 FGEDMO CC[C@]1(O)CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000495231768 503706756 /nfs/dbraw/zinc/70/67/56/503706756.db2.gz PUUDSFNAMYAVDF-NRFANRHFSA-N 1 1 372.513 3.267 20 30 FGEDMO C=CCNC(=O)C[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@@H]1C ZINC000536744141 503708387 /nfs/dbraw/zinc/70/83/87/503708387.db2.gz NKOSOKWWDHOIKE-WMZOPIPTSA-N 1 1 360.498 3.387 20 30 FGEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000537025358 503781078 /nfs/dbraw/zinc/78/10/78/503781078.db2.gz SGSJLTJBMOABME-INIZCTEOSA-N 1 1 372.490 3.470 20 30 FGEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533294550 503795355 /nfs/dbraw/zinc/79/53/55/503795355.db2.gz FNWCOHYAQKAFPZ-UAGQMJEPSA-N 1 1 361.511 3.474 20 30 FGEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000540548312 503813694 /nfs/dbraw/zinc/81/36/94/503813694.db2.gz DIDUQKLOGRLRSB-ZWKOTPCHSA-N 1 1 374.554 3.112 20 30 FGEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533430025 503842542 /nfs/dbraw/zinc/84/25/42/503842542.db2.gz HXTMSNXEYMPLBZ-DFQSSKMNSA-N 1 1 355.482 3.412 20 30 FGEDMO C=CC[C@@H](CO)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000537352306 503886521 /nfs/dbraw/zinc/88/65/21/503886521.db2.gz MABJNLKYEHJSTH-MRXNPFEDSA-N 1 1 359.495 3.410 20 30 FGEDMO Cc1ccc(C)c(OC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1 ZINC000530337614 503930543 /nfs/dbraw/zinc/93/05/43/503930543.db2.gz VCPOXCBHIMLHER-QGZVFWFLSA-N 1 1 355.482 3.098 20 30 FGEDMO C=CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518254960 503936484 /nfs/dbraw/zinc/93/64/84/503936484.db2.gz CYNQFSKTWGARIU-HNNXBMFYSA-N 1 1 362.412 3.422 20 30 FGEDMO C=CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518254960 503936487 /nfs/dbraw/zinc/93/64/87/503936487.db2.gz CYNQFSKTWGARIU-HNNXBMFYSA-N 1 1 362.412 3.422 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC=C(C(F)(F)F)CC2)c(OC)c1 ZINC000533835912 503965963 /nfs/dbraw/zinc/96/59/63/503965963.db2.gz UEIDXPQPQVPGAQ-INIZCTEOSA-N 1 1 371.399 3.358 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC=C(C(F)(F)F)CC2)c(OC)c1 ZINC000533835912 503965966 /nfs/dbraw/zinc/96/59/66/503965966.db2.gz UEIDXPQPQVPGAQ-INIZCTEOSA-N 1 1 371.399 3.358 20 30 FGEDMO COc1cccc([C@@H]2[C@@H](NC(=O)C3(C#N)CC(C)C3)CC[N@H+]2C2CC2)c1 ZINC000537597824 503967350 /nfs/dbraw/zinc/96/73/50/503967350.db2.gz ZLXYIXWSCUYJBL-DSUJQSGASA-N 1 1 353.466 3.029 20 30 FGEDMO C=CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C1CC1 ZINC000537852502 504066155 /nfs/dbraw/zinc/06/61/55/504066155.db2.gz DCQAQDAXRVXLKH-SFHVURJKSA-N 1 1 356.466 3.162 20 30 FGEDMO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)C1CC1 ZINC000537852502 504066160 /nfs/dbraw/zinc/06/61/60/504066160.db2.gz DCQAQDAXRVXLKH-SFHVURJKSA-N 1 1 356.466 3.162 20 30 FGEDMO C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541316317 504085090 /nfs/dbraw/zinc/08/50/90/504085090.db2.gz GUAPCBHRKMEWQW-LAUBAEHRSA-N 1 1 369.509 3.234 20 30 FGEDMO C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541316317 504085093 /nfs/dbraw/zinc/08/50/93/504085093.db2.gz GUAPCBHRKMEWQW-LAUBAEHRSA-N 1 1 369.509 3.234 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000541317682 504086373 /nfs/dbraw/zinc/08/63/73/504086373.db2.gz QVIJLADJCZQBBF-SFHVURJKSA-N 1 1 372.513 3.240 20 30 FGEDMO N#CCc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3)CC2)cc1 ZINC000541347810 504100109 /nfs/dbraw/zinc/10/01/09/504100109.db2.gz QDRCGAMQCDUCFH-UHFFFAOYSA-N 1 1 367.880 3.293 20 30 FGEDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000541386722 504112251 /nfs/dbraw/zinc/11/22/51/504112251.db2.gz GVPTYPLZHSAWMS-CTNGQTDRSA-N 1 1 350.462 3.404 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000538281288 504187385 /nfs/dbraw/zinc/18/73/85/504187385.db2.gz RMUIJXMTZBAAQB-NSHGMRRFSA-N 1 1 359.514 3.320 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000538281288 504187388 /nfs/dbraw/zinc/18/73/88/504187388.db2.gz RMUIJXMTZBAAQB-NSHGMRRFSA-N 1 1 359.514 3.320 20 30 FGEDMO CC1(C)C[N@H+](C2(CNC(=O)Nc3ccc(C#N)cc3)CCCCC2)CCO1 ZINC000519490391 504232219 /nfs/dbraw/zinc/23/22/19/504232219.db2.gz ANXKYYUTZDZYEB-UHFFFAOYSA-N 1 1 370.497 3.493 20 30 FGEDMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCC#N)CC3)C2=O)cc1 ZINC000519611904 504272972 /nfs/dbraw/zinc/27/29/72/504272972.db2.gz TWPLJRDUMLCEFB-LJQANCHMSA-N 1 1 369.465 3.123 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000541872693 504284645 /nfs/dbraw/zinc/28/46/45/504284645.db2.gz NYNRSGFAFSBSJL-ROUUACIJSA-N 1 1 355.482 3.118 20 30 FGEDMO Cn1c2c(nc1[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N)CCCC2 ZINC000548022085 504300680 /nfs/dbraw/zinc/30/06/80/504300680.db2.gz DWPKVTMZHBAGLI-LJQANCHMSA-N 1 1 350.466 3.386 20 30 FGEDMO Cn1c2c(nc1[C@H]1CCC[N@H+]1CCOc1ccccc1C#N)CCCC2 ZINC000548022085 504300685 /nfs/dbraw/zinc/30/06/85/504300685.db2.gz DWPKVTMZHBAGLI-LJQANCHMSA-N 1 1 350.466 3.386 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000531443440 504308099 /nfs/dbraw/zinc/30/80/99/504308099.db2.gz YETCJWNWEZEBTK-ZRNYENFQSA-N 1 1 352.482 3.095 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CO)c1ccccc1OC ZINC000541984003 504324068 /nfs/dbraw/zinc/32/40/68/504324068.db2.gz LWAMWKZYUSYFCZ-QGZVFWFLSA-N 1 1 372.490 3.235 20 30 FGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(CC#N)cc2)C1 ZINC000519825524 504354804 /nfs/dbraw/zinc/35/48/04/504354804.db2.gz SKOOFKRVAXIDQW-KRWDZBQOSA-N 1 1 356.514 3.452 20 30 FGEDMO C[N@@H+](CCCOc1cccc(Cl)c1)CC(=O)NCc1ccc(C#N)cc1 ZINC000519904084 504379150 /nfs/dbraw/zinc/37/91/50/504379150.db2.gz RYEPFYVPCLAHLX-UHFFFAOYSA-N 1 1 371.868 3.229 20 30 FGEDMO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000542181280 504395876 /nfs/dbraw/zinc/39/58/76/504395876.db2.gz BSOZUYACMQPJGO-MRXNPFEDSA-N 1 1 365.433 3.257 20 30 FGEDMO C[C@@H](c1ccccc1Br)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000535549251 504467641 /nfs/dbraw/zinc/46/76/41/504467641.db2.gz RGGIARBROYKNNA-NSHDSACASA-N 1 1 362.275 3.082 20 30 FGEDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000539209386 504498701 /nfs/dbraw/zinc/49/87/01/504498701.db2.gz BGBFCSJKODQBGG-QGZVFWFLSA-N 1 1 362.477 3.461 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000529027605 504499969 /nfs/dbraw/zinc/49/99/69/504499969.db2.gz HSKDVZFDOHSLCX-SFHVURJKSA-N 1 1 364.449 3.271 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2cccc(C#N)c2C)cc1 ZINC000529027605 504499975 /nfs/dbraw/zinc/49/99/75/504499975.db2.gz HSKDVZFDOHSLCX-SFHVURJKSA-N 1 1 364.449 3.271 20 30 FGEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000539241551 504509572 /nfs/dbraw/zinc/50/95/72/504509572.db2.gz XAMFPUNTVUAVLU-RTWAWAEBSA-N 1 1 370.541 3.152 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535758352 504535399 /nfs/dbraw/zinc/53/53/99/504535399.db2.gz KNSIGMYOOQOUPF-HXUWFJFHSA-N 1 1 352.482 3.231 20 30 FGEDMO C=CCCO[C@@H](C)C(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@@H+]1CC ZINC000536037401 504614904 /nfs/dbraw/zinc/61/49/04/504614904.db2.gz YYYNYVKAEROWKS-HKUYNNGSSA-N 1 1 360.498 3.186 20 30 FGEDMO N#CCC1CC[NH+](CC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)CC1 ZINC000542878489 504645064 /nfs/dbraw/zinc/64/50/64/504645064.db2.gz FJJHMZWVFKYTFB-QGZVFWFLSA-N 1 1 366.421 3.176 20 30 FGEDMO N#CCc1ccnc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000532435200 504650244 /nfs/dbraw/zinc/65/02/44/504650244.db2.gz PLPMGOZVFWLFEX-QGZVFWFLSA-N 1 1 352.413 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VDCFPTDPVKKOPB-QGZVFWFLSA-N 1 1 372.472 3.361 20 30 FGEDMO C[C@H](NC(=O)NCC1(C#N)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593387089 506593141 /nfs/dbraw/zinc/59/31/41/506593141.db2.gz LRRKHVRFDYJGAH-HKUYNNGSSA-N 1 1 354.498 3.280 20 30 FGEDMO C[C@H](NC(=O)N1Cc2cccc(C#N)c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000593388040 506593415 /nfs/dbraw/zinc/59/34/15/506593415.db2.gz CSENGDFHRXWZCK-RDJZCZTQSA-N 1 1 352.482 3.236 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)C1CC1 ZINC000593395550 506597778 /nfs/dbraw/zinc/59/77/78/506597778.db2.gz ZDEMFGJLGYAVOH-QFIPXVFZSA-N 1 1 374.488 3.494 20 30 FGEDMO CC[C@@H](C#N)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000593497923 506653179 /nfs/dbraw/zinc/65/31/79/506653179.db2.gz OHPVMMQJCBILLI-IRXDYDNUSA-N 1 1 367.415 3.449 20 30 FGEDMO Cc1ccccc1OCCC[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000603909433 506654924 /nfs/dbraw/zinc/65/49/24/506654924.db2.gz VYRMNXPBRJADCN-SFHVURJKSA-N 1 1 357.498 3.427 20 30 FGEDMO Cc1nn(-c2ccccc2)c(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)c1C#N ZINC000590014811 506707082 /nfs/dbraw/zinc/70/70/82/506707082.db2.gz RKSCITJVIJHZSH-QGZVFWFLSA-N 1 1 363.509 3.359 20 30 FGEDMO N#CC1(c2ccc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)CC1 ZINC000596978422 506709195 /nfs/dbraw/zinc/70/91/95/506709195.db2.gz XVCCWECZMQIGDW-UHFFFAOYSA-N 1 1 362.433 3.472 20 30 FGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H](O)COCc1ccccc1 ZINC000596999241 506724196 /nfs/dbraw/zinc/72/41/96/506724196.db2.gz BZNDLHIKKXLJNK-NRFANRHFSA-N 1 1 350.462 3.251 20 30 FGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2)CC1 ZINC000597014891 506732975 /nfs/dbraw/zinc/73/29/75/506732975.db2.gz SXMSQFALLVCRJN-KRWDZBQOSA-N 1 1 363.421 3.231 20 30 FGEDMO C[C@@H](CNc1ncc(C#N)cc1Cl)[NH+]1CCN(c2ccccc2)CC1 ZINC000608886046 506736226 /nfs/dbraw/zinc/73/62/26/506736226.db2.gz NZZJVBVIPIWIQO-HNNXBMFYSA-N 1 1 355.873 3.229 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604187465 506742568 /nfs/dbraw/zinc/74/25/68/506742568.db2.gz WGJSAYFQTJZJSY-SFHVURJKSA-N 1 1 369.509 3.440 20 30 FGEDMO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000590165989 506756457 /nfs/dbraw/zinc/75/64/57/506756457.db2.gz IUHJQQWSNFGVQG-SOLBZPMBSA-N 1 1 351.454 3.107 20 30 FGEDMO COCc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC000590171267 506756770 /nfs/dbraw/zinc/75/67/70/506756770.db2.gz LJWHZRXMUIYZFE-NRFANRHFSA-N 1 1 353.441 3.355 20 30 FGEDMO CCCOc1ccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c(C)c1 ZINC000597128485 506790218 /nfs/dbraw/zinc/79/02/18/506790218.db2.gz AHOYZFHQLWCROD-UHFFFAOYSA-N 1 1 350.466 3.373 20 30 FGEDMO Cc1cc(NC(=O)CC2(C#N)CC2)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000590309668 506790650 /nfs/dbraw/zinc/79/06/50/506790650.db2.gz ZODDRPBERNQIGK-SFHVURJKSA-N 1 1 363.465 3.271 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC1(C#N)CC1 ZINC000590312591 506790880 /nfs/dbraw/zinc/79/08/80/506790880.db2.gz GVNWYRHTJUPTHX-VQIMIIECSA-N 1 1 354.498 3.143 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC1(C#N)CC1 ZINC000590312591 506790887 /nfs/dbraw/zinc/79/08/87/506790887.db2.gz GVNWYRHTJUPTHX-VQIMIIECSA-N 1 1 354.498 3.143 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000600158523 506812583 /nfs/dbraw/zinc/81/25/83/506812583.db2.gz BRQUOMGNLJTTOR-UHFFFAOYSA-N 1 1 360.454 3.472 20 30 FGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000600158523 506812590 /nfs/dbraw/zinc/81/25/90/506812590.db2.gz BRQUOMGNLJTTOR-UHFFFAOYSA-N 1 1 360.454 3.472 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC(C)(C)OCC2(C)C)c(OC)c1 ZINC000604389710 506813707 /nfs/dbraw/zinc/81/37/07/506813707.db2.gz RPFGIOCFMDFPCE-QGZVFWFLSA-N 1 1 363.498 3.053 20 30 FGEDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000609269495 506830039 /nfs/dbraw/zinc/83/00/39/506830039.db2.gz RRBFXGGLBIDGDA-GOSISDBHSA-N 1 1 363.461 3.066 20 30 FGEDMO CNc1cc2c(nn1)CC[N@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC000609270891 506831302 /nfs/dbraw/zinc/83/13/02/506831302.db2.gz UKHVCUKAEGXRAX-UHFFFAOYSA-N 1 1 355.445 3.037 20 30 FGEDMO CNc1cc2c(nn1)CC[N@@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC000609270891 506831308 /nfs/dbraw/zinc/83/13/08/506831308.db2.gz UKHVCUKAEGXRAX-UHFFFAOYSA-N 1 1 355.445 3.037 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000593955649 506848158 /nfs/dbraw/zinc/84/81/58/506848158.db2.gz RYPMYUUMRYDKKL-IBGZPJMESA-N 1 1 361.489 3.124 20 30 FGEDMO C[C@]1(C#N)CC[N@H+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000597231439 506850017 /nfs/dbraw/zinc/85/00/17/506850017.db2.gz XEUGSWSDGYVYGI-HXUWFJFHSA-N 1 1 368.506 3.382 20 30 FGEDMO C[C@]1(C#N)CC[N@@H+](Cc2sc(N3CCOCC3)nc2-c2ccccc2)C1 ZINC000597231439 506850021 /nfs/dbraw/zinc/85/00/21/506850021.db2.gz XEUGSWSDGYVYGI-HXUWFJFHSA-N 1 1 368.506 3.382 20 30 FGEDMO COC[C@@]1(C)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000600213892 506850194 /nfs/dbraw/zinc/85/01/94/506850194.db2.gz QVDQFWQUAIDVSW-JOCHJYFZSA-N 1 1 366.461 3.375 20 30 FGEDMO COC[C@@]1(C)C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000600213892 506850199 /nfs/dbraw/zinc/85/01/99/506850199.db2.gz QVDQFWQUAIDVSW-JOCHJYFZSA-N 1 1 366.461 3.375 20 30 FGEDMO C=CCCn1cc(C[NH+]2CCC(Cc3ccccc3C(=O)OC)CC2)nn1 ZINC000593988774 506868157 /nfs/dbraw/zinc/86/81/57/506868157.db2.gz FYFHWZZEYKFRMV-UHFFFAOYSA-N 1 1 368.481 3.096 20 30 FGEDMO CC[N@H+](CC(=O)NCC#N)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000609417607 506876957 /nfs/dbraw/zinc/87/69/57/506876957.db2.gz OKJYEHZTUWKBCO-UHFFFAOYSA-N 1 1 365.355 3.427 20 30 FGEDMO CC[N@@H+](CC(=O)NCC#N)Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000609417607 506876962 /nfs/dbraw/zinc/87/69/62/506876962.db2.gz OKJYEHZTUWKBCO-UHFFFAOYSA-N 1 1 365.355 3.427 20 30 FGEDMO C[C@H](NC(=O)CC1(C#N)CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000597286921 506878887 /nfs/dbraw/zinc/87/88/87/506878887.db2.gz MXCXBKADGUXVTE-AZUAARDMSA-N 1 1 369.509 3.256 20 30 FGEDMO C[C@H](NC(=O)CC1(C#N)CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000597286921 506878894 /nfs/dbraw/zinc/87/88/94/506878894.db2.gz MXCXBKADGUXVTE-AZUAARDMSA-N 1 1 369.509 3.256 20 30 FGEDMO N#C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC12CCCC2 ZINC000590626091 506887504 /nfs/dbraw/zinc/88/75/04/506887504.db2.gz LBUAADTWARRRTK-UGKGYDQZSA-N 1 1 351.494 3.489 20 30 FGEDMO C[C@H](O)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000594056470 506910744 /nfs/dbraw/zinc/91/07/44/506910744.db2.gz VTBGFQNZIBHLOI-ZDUSSCGKSA-N 1 1 361.511 3.062 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC2(C#N)CCOCC2)cc1 ZINC000597358721 506913396 /nfs/dbraw/zinc/91/33/96/506913396.db2.gz SKJCQFWDJZTIKA-OAHLLOKOSA-N 1 1 352.438 3.068 20 30 FGEDMO C[C@@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000609546511 506917407 /nfs/dbraw/zinc/91/74/07/506917407.db2.gz TVYVOVXQZJZOCC-DLBZAZTESA-N 1 1 350.466 3.439 20 30 FGEDMO COc1cccc(OC)c1Oc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cn1 ZINC000609574353 506928218 /nfs/dbraw/zinc/92/82/18/506928218.db2.gz KBBLXUAHXKWJHL-OAHLLOKOSA-N 1 1 366.421 3.424 20 30 FGEDMO CC[C@@H](C#N)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000594086750 506932623 /nfs/dbraw/zinc/93/26/23/506932623.db2.gz BKEFKLXNFBMBPJ-INIZCTEOSA-N 1 1 352.482 3.168 20 30 FGEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cc[nH]n1 ZINC000609620445 506949177 /nfs/dbraw/zinc/94/91/77/506949177.db2.gz WRCNVPFLVBVRPP-UHFFFAOYSA-N 1 1 357.483 3.072 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cc[nH]n1 ZINC000609620445 506949188 /nfs/dbraw/zinc/94/91/88/506949188.db2.gz WRCNVPFLVBVRPP-UHFFFAOYSA-N 1 1 357.483 3.072 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCOC1 ZINC000609631564 506954013 /nfs/dbraw/zinc/95/40/13/506954013.db2.gz BRJHRECTDSWFQJ-AWEZNQCLSA-N 1 1 361.511 3.186 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000590785214 506955919 /nfs/dbraw/zinc/95/59/19/506955919.db2.gz MYWZYHGVSKGWOF-INIZCTEOSA-N 1 1 370.518 3.458 20 30 FGEDMO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000590801810 506966836 /nfs/dbraw/zinc/96/68/36/506966836.db2.gz RXMILHQRNFIFSB-SXLOBPIMSA-N 1 1 354.498 3.280 20 30 FGEDMO C[N@@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609672013 506969303 /nfs/dbraw/zinc/96/93/03/506969303.db2.gz MMMFSVWXIZNFSP-ACRUOGEOSA-N 1 1 363.461 3.184 20 30 FGEDMO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000609671697 506969583 /nfs/dbraw/zinc/96/95/83/506969583.db2.gz MPYLENWPHIQHNO-WIYYLYMNSA-N 1 1 358.445 3.446 20 30 FGEDMO N#CC1(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCCC1 ZINC000597497247 506981053 /nfs/dbraw/zinc/98/10/53/506981053.db2.gz DHGRDBLMSGUGIO-FQEVSTJZSA-N 1 1 369.509 3.124 20 30 FGEDMO N#CC1(CC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCCC1 ZINC000597559044 507008894 /nfs/dbraw/zinc/00/88/94/507008894.db2.gz FACINFGKYCSQTQ-FQEVSTJZSA-N 1 1 369.509 3.258 20 30 FGEDMO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000613287905 507012962 /nfs/dbraw/zinc/01/29/62/507012962.db2.gz 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C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000594356394 507090854 /nfs/dbraw/zinc/09/08/54/507090854.db2.gz PWUIDCLWKBGFLB-GCJKJVERSA-N 1 1 361.489 3.122 20 30 FGEDMO CC[N@@H+](C)[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000584019026 507104210 /nfs/dbraw/zinc/10/42/10/507104210.db2.gz KGUGVJFMQGJZKW-OAQYLSRUSA-N 1 1 365.477 3.226 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000610134109 507111699 /nfs/dbraw/zinc/11/16/99/507111699.db2.gz GHFCBNBURQKDAT-MOPGFXCFSA-N 1 1 357.498 3.090 20 30 FGEDMO C[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000610162721 507121381 /nfs/dbraw/zinc/12/13/81/507121381.db2.gz VBMMKCSKGGXHFG-OXQOHEQNSA-N 1 1 359.433 3.113 20 30 FGEDMO N#CCc1cccc2c1CCN(C(=O)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000600788302 507121473 /nfs/dbraw/zinc/12/14/73/507121473.db2.gz IZGRISJPTBZULA-NRFANRHFSA-N 1 1 359.473 3.159 20 30 FGEDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@H+]1C ZINC000610177709 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C[C@H](CCNC(=O)NCCc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000595536975 507549307 /nfs/dbraw/zinc/54/93/07/507549307.db2.gz YZGCDEGWLPDRNV-GOSISDBHSA-N 1 1 364.493 3.311 20 30 FGEDMO CC[N@H+]1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)[C@H](C)C1 ZINC000595536730 507549431 /nfs/dbraw/zinc/54/94/31/507549431.db2.gz ULJLJMVDZDGSOR-SJORKVTESA-N 1 1 374.554 3.435 20 30 FGEDMO CC[N@@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000611205328 507560905 /nfs/dbraw/zinc/56/09/05/507560905.db2.gz VAIORIVFXRKFPB-RBUKOAKNSA-N 1 1 357.498 3.297 20 30 FGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602062157 507573960 /nfs/dbraw/zinc/57/39/60/507573960.db2.gz YKIKKXQXSLRGRV-SFHVURJKSA-N 1 1 350.422 3.477 20 30 FGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602062157 507573967 /nfs/dbraw/zinc/57/39/67/507573967.db2.gz YKIKKXQXSLRGRV-SFHVURJKSA-N 1 1 350.422 3.477 20 30 FGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602059959 507574436 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/nfs/dbraw/zinc/01/48/22/722014822.db2.gz BQLLOHVLQZWPMN-UHFFFAOYSA-N 1 1 367.884 3.494 20 30 FGEDMO Cc1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(C=NO)c1 ZINC001164955451 722020674 /nfs/dbraw/zinc/02/06/74/722020674.db2.gz HHPTUKOAZDVWIO-UHFFFAOYSA-N 1 1 365.481 3.086 20 30 FGEDMO N#Cc1ncc(Cl)nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993227 722195725 /nfs/dbraw/zinc/19/57/25/722195725.db2.gz DBIKJSRSKIUKEG-IBGZPJMESA-N 1 1 371.847 3.386 20 30 FGEDMO CCc1nc(C[NH+]2CCC(C/N=C/c3cccc(O)c3O)CC2)cs1 ZINC000731937024 722479578 /nfs/dbraw/zinc/47/95/78/722479578.db2.gz FCQNRRAIWXRKRD-RGVLZGJSSA-N 1 1 359.495 3.448 20 30 FGEDMO CC[N@H+]1CCC(=NNC(=S)NCCc2ccc(Cl)cc2)[C@H](C)C1 ZINC000741454602 722546056 /nfs/dbraw/zinc/54/60/56/722546056.db2.gz GNDRZVTWAJGNMT-CYBMUJFWSA-N 1 1 352.935 3.064 20 30 FGEDMO CCOc1ccc(OCC)c(NC(=S)NN=C2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000741463864 722546214 /nfs/dbraw/zinc/54/62/14/722546214.db2.gz KIPOPSUKALIXCJ-ZDUSSCGKSA-N 1 1 364.515 3.241 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)/C=C(\C)c2ccccc2C(F)(F)F)CC1 ZINC000742059171 722551694 /nfs/dbraw/zinc/55/16/94/722551694.db2.gz GSXRXMXJYJEUNM-CCEZHUSRSA-N 1 1 350.384 3.276 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000744346261 722576011 /nfs/dbraw/zinc/57/60/11/722576011.db2.gz XHISANBDTANXAN-ZDUSSCGKSA-N 1 1 356.388 3.484 20 30 FGEDMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)s3)cc2Cl)CC1 ZINC000749364339 722725961 /nfs/dbraw/zinc/72/59/61/722725961.db2.gz WBSYVWFUJGKOML-UHFFFAOYSA-N 1 1 360.870 3.277 20 30 FGEDMO COc1ccc([C@H]2[C@@H](COC(=O)c3cc(C#N)cs3)CC[N@H+]2C)cc1 ZINC000752184595 722847946 /nfs/dbraw/zinc/84/79/46/722847946.db2.gz KZZPKUQQOSWCIJ-QAPCUYQASA-N 1 1 356.447 3.478 20 30 FGEDMO Clc1ccc(Br)cc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753930054 722918624 /nfs/dbraw/zinc/91/86/24/722918624.db2.gz UFEVPYKKQVHXEI-BETUJISGSA-N 1 1 355.667 3.296 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000756557028 722966786 /nfs/dbraw/zinc/96/67/86/722966786.db2.gz ZNLFTNNTWDXEFE-KRWDZBQOSA-N 1 1 358.438 3.133 20 30 FGEDMO Clc1cc(Cl)c2c(c1)OCCC2=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000758877639 722996217 /nfs/dbraw/zinc/99/62/17/722996217.db2.gz DZBJBUSVWJGSOL-TXEJJXNPSA-N 1 1 353.253 3.340 20 30 FGEDMO C[C@]12CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000792897420 723378699 /nfs/dbraw/zinc/37/86/99/723378699.db2.gz AWVZBQAXTVRMRJ-ZBFHGGJFSA-N 1 1 352.265 3.403 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(C(C)(C)C(F)(F)F)cc2)CC1 ZINC000764959816 723463236 /nfs/dbraw/zinc/46/32/36/723463236.db2.gz GDDPDQKIUDLJCS-UHFFFAOYSA-N 1 1 352.400 3.308 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000765799677 723541787 /nfs/dbraw/zinc/54/17/87/723541787.db2.gz YDQKKXVUWAHUPR-IEZWGBDMSA-N 1 1 350.890 3.332 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765799677 723541789 /nfs/dbraw/zinc/54/17/89/723541789.db2.gz YDQKKXVUWAHUPR-IEZWGBDMSA-N 1 1 350.890 3.332 20 30 FGEDMO C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000767203852 723610299 /nfs/dbraw/zinc/61/02/99/723610299.db2.gz IDNHGUIIVXHMRI-QGZVFWFLSA-N 1 1 352.400 3.313 20 30 FGEDMO C#C[C@H]([NH2+]Cc1nc2ccc(Br)cc2s1)[C@H]1CCCO1 ZINC000775013396 723951913 /nfs/dbraw/zinc/95/19/13/723951913.db2.gz NPVSBCRZYROKMC-WCQYABFASA-N 1 1 351.269 3.329 20 30 FGEDMO C#C[C@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@@H]1CCCO1 ZINC000775343986 723983596 /nfs/dbraw/zinc/98/35/96/723983596.db2.gz BBKCRQDEKXNYCQ-ROUUACIJSA-N 1 1 374.282 3.214 20 30 FGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000799143018 723990759 /nfs/dbraw/zinc/99/07/59/723990759.db2.gz GLONSNMNDGUIJV-UHFFFAOYSA-N 1 1 351.491 3.028 20 30 FGEDMO Cc1ccsc1C(Cc1ccccc1)=NNCCC[NH+]1CCOCC1 ZINC000799487471 724034226 /nfs/dbraw/zinc/03/42/26/724034226.db2.gz PWBWYZNLEAZBMA-UHFFFAOYSA-N 1 1 357.523 3.315 20 30 FGEDMO C#C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000775795823 724062328 /nfs/dbraw/zinc/06/23/28/724062328.db2.gz ZUAPKJGETKDCAO-DGFSRKRXSA-N 1 1 374.790 3.456 20 30 FGEDMO C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000775799840 724063531 /nfs/dbraw/zinc/06/35/31/724063531.db2.gz NAAGWYPAHWYMPK-NZVBXONLSA-N 1 1 374.790 3.456 20 30 FGEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNC(=S)Nc1ccccn1 ZINC000776187223 724117012 /nfs/dbraw/zinc/11/70/12/724117012.db2.gz CVCLBUBUXUEJEF-OAHLLOKOSA-N 1 1 353.495 3.266 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC(=S)Nc1ccccn1 ZINC000776187223 724117013 /nfs/dbraw/zinc/11/70/13/724117013.db2.gz CVCLBUBUXUEJEF-OAHLLOKOSA-N 1 1 353.495 3.266 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]CCNC(=O)c1ccccc1F ZINC000778160406 724305141 /nfs/dbraw/zinc/30/51/41/724305141.db2.gz VMFWTHQGXUPYLL-UHFFFAOYSA-N 1 1 360.816 3.011 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000801931613 724347177 /nfs/dbraw/zinc/34/71/77/724347177.db2.gz JRACQBCCQZJCLQ-HIFRSBDPSA-N 1 1 360.845 3.498 20 30 FGEDMO CC(C)[C@H](C(=O)O[C@H](C#N)Cc1ccc(F)cc1F)[NH+]1CCCCC1 ZINC000778709699 724356732 /nfs/dbraw/zinc/35/67/32/724356732.db2.gz BJWRKXBROIVFER-FUHWJXTLSA-N 1 1 350.409 3.453 20 30 FGEDMO N#CCSCCCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000805461397 725073638 /nfs/dbraw/zinc/07/36/38/725073638.db2.gz AYHAOIRTWJPCLJ-INIZCTEOSA-N 1 1 350.459 3.228 20 30 FGEDMO C#CCC(CC#C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000806830003 725145436 /nfs/dbraw/zinc/14/54/36/725145436.db2.gz ZOFMJZNAKBBZFZ-HXUWFJFHSA-N 1 1 356.897 3.474 20 30 FGEDMO C#CCC(CC#C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000806830003 725145437 /nfs/dbraw/zinc/14/54/37/725145437.db2.gz ZOFMJZNAKBBZFZ-HXUWFJFHSA-N 1 1 356.897 3.474 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000810049686 725284787 /nfs/dbraw/zinc/28/47/87/725284787.db2.gz ZJXLEIVQSYQDMW-FRFSOERESA-N 1 1 367.287 3.123 20 30 FGEDMO C[N@H+](Cc1nc(C#N)cs1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000811458217 725366483 /nfs/dbraw/zinc/36/64/83/725366483.db2.gz KKQRBIVDFDQQEA-YIONKMFJSA-N 1 1 362.499 3.377 20 30 FGEDMO C[N@@H+](Cc1nc(C#N)cs1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000811458217 725366484 /nfs/dbraw/zinc/36/64/84/725366484.db2.gz KKQRBIVDFDQQEA-YIONKMFJSA-N 1 1 362.499 3.377 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1F ZINC000812018703 725387610 /nfs/dbraw/zinc/38/76/10/725387610.db2.gz GRGLKAOMFYWKLC-SJKOYZFVSA-N 1 1 362.836 3.294 20 30 FGEDMO C[C@H]1C(=NNC(=S)Nc2ccccn2)CCC[N@H+]1Cc1ccccc1 ZINC000814882524 727008134 /nfs/dbraw/zinc/00/81/34/727008134.db2.gz JWIYLAQTRTULSB-HNNXBMFYSA-N 1 1 353.495 3.409 20 30 FGEDMO C[C@H]1C(=NNC(=S)Nc2ccccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000814882524 727008138 /nfs/dbraw/zinc/00/81/38/727008138.db2.gz JWIYLAQTRTULSB-HNNXBMFYSA-N 1 1 353.495 3.409 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000815030925 727022921 /nfs/dbraw/zinc/02/29/21/727022921.db2.gz UUGFAEHSBQXPLZ-DLBZAZTESA-N 1 1 351.491 3.028 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)C(C)(C)c1ccc(Br)c(C)c1 ZINC000818589037 727315380 /nfs/dbraw/zinc/31/53/80/727315380.db2.gz NDTGFYZRWNNPEY-UHFFFAOYSA-N 1 1 365.315 3.106 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000819162017 727353983 /nfs/dbraw/zinc/35/39/83/727353983.db2.gz CWWMAAPDOOUIPJ-LBPRGKRZSA-N 1 1 371.959 3.192 20 30 FGEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2cn3cc(Cl)cc(Cl)c3n2)no1 ZINC000822956881 729237084 /nfs/dbraw/zinc/23/70/84/729237084.db2.gz QEYAVXSKPXCBNN-LBPRGKRZSA-N 1 1 365.224 3.309 20 30 FGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2O[C@@H]2CCOC2)no1 ZINC000822979930 729239914 /nfs/dbraw/zinc/23/99/14/729239914.db2.gz AKUXBWIPDWIZLT-OCCSQVGLSA-N 1 1 362.817 3.251 20 30 FGEDMO N#CCCC[C@@H]([NH3+])c1nc(CC(=O)Nc2cccc(Cl)c2Cl)no1 ZINC000823042657 729247214 /nfs/dbraw/zinc/24/72/14/729247214.db2.gz HZUZNXDMCPSVAU-SNVBAGLBSA-N 1 1 368.224 3.251 20 30 FGEDMO COC(=O)C1(C#N)CC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000824860978 729362754 /nfs/dbraw/zinc/36/27/54/729362754.db2.gz BWMIGJAXLIGDQZ-UHFFFAOYSA-N 1 1 352.381 3.184 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Br)cc3O)C2)nc1 ZINC000825962931 729401063 /nfs/dbraw/zinc/40/10/63/729401063.db2.gz BULLLQLHALUUJC-OAHLLOKOSA-N 1 1 374.238 3.075 20 30 FGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C#Cc1cccs1 ZINC000826689337 729412543 /nfs/dbraw/zinc/41/25/43/729412543.db2.gz LCHXBOCRGJRDFB-LJQANCHMSA-N 1 1 352.503 3.470 20 30 FGEDMO C#C[C@H]([NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl)C1CCOCC1 ZINC000827555412 729431699 /nfs/dbraw/zinc/43/16/99/729431699.db2.gz TTWGVVKVXMITDX-INIZCTEOSA-N 1 1 353.821 3.043 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCN(c3ccccc3Cl)CC2)cc1 ZINC000829798503 729512885 /nfs/dbraw/zinc/51/28/85/729512885.db2.gz YJXXFNQMQUIHOT-HXUWFJFHSA-N 1 1 355.869 3.457 20 30 FGEDMO CCC#C[C@H](C)[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832030819 729683857 /nfs/dbraw/zinc/68/38/57/729683857.db2.gz RHCHMCOQUGDAEG-IRXDYDNUSA-N 1 1 350.503 3.042 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257560 729700044 /nfs/dbraw/zinc/70/00/44/729700044.db2.gz JRVWZUZOGVYCMR-KSZLIROESA-N 1 1 352.519 3.283 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000838624138 730131738 /nfs/dbraw/zinc/13/17/38/730131738.db2.gz JAERDPLAVOTMCK-UHFFFAOYSA-N 1 1 352.276 3.143 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365259 730708051 /nfs/dbraw/zinc/70/80/51/730708051.db2.gz CYGBMJPTKDFAST-FZKQIMNGSA-N 1 1 357.841 3.204 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365259 730708053 /nfs/dbraw/zinc/70/80/53/730708053.db2.gz CYGBMJPTKDFAST-FZKQIMNGSA-N 1 1 357.841 3.204 20 30 FGEDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1O ZINC000844367596 730708378 /nfs/dbraw/zinc/70/83/78/730708378.db2.gz AGYITFMKWANFQH-GOSISDBHSA-N 1 1 358.825 3.285 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371434 730708447 /nfs/dbraw/zinc/70/84/47/730708447.db2.gz YQTQCHZQDOWYKO-GOSISDBHSA-N 1 1 357.841 3.206 20 30 FGEDMO COC(=O)c1cccc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1Cl ZINC000844367857 730708641 /nfs/dbraw/zinc/70/86/41/730708641.db2.gz CCWVYCLSSASUEM-QGZVFWFLSA-N 1 1 358.825 3.164 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1Cl ZINC000844367857 730708644 /nfs/dbraw/zinc/70/86/44/730708644.db2.gz CCWVYCLSSASUEM-QGZVFWFLSA-N 1 1 358.825 3.164 20 30 FGEDMO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccnc1 ZINC000852092611 731543271 /nfs/dbraw/zinc/54/32/71/731543271.db2.gz SGYYVOVHFXTWFN-GOSISDBHSA-N 1 1 359.857 3.487 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000852346388 731573339 /nfs/dbraw/zinc/57/33/39/731573339.db2.gz FTYWWTLUOIPLKQ-VQIMIIECSA-N 1 1 359.901 3.436 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856782289 732060187 /nfs/dbraw/zinc/06/01/87/732060187.db2.gz ZYIHUHZUABZZNT-PSLIRLAXSA-N 1 1 374.794 3.213 20 30 FGEDMO C=CCOCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000859606971 732359804 /nfs/dbraw/zinc/35/98/04/732359804.db2.gz UAHNFEZWZAJZHA-ZIAGYGMSSA-N 1 1 366.424 3.214 20 30 FGEDMO C=C(Cl)C[C@@H]1NC(=O)N(C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1=O ZINC000865304063 733176941 /nfs/dbraw/zinc/17/69/41/733176941.db2.gz ACSJGLJKGOIFAO-IPYPFGDCSA-N 1 1 367.902 3.194 20 30 FGEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871098195 733914460 /nfs/dbraw/zinc/91/44/60/733914460.db2.gz WLZMYSVOEOJFPR-SJORKVTESA-N 1 1 357.527 3.037 20 30 FGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2(NC(=O)c3ccccc3)CCCC2)no1 ZINC000872181852 735602087 /nfs/dbraw/zinc/60/20/87/735602087.db2.gz QMQZGDMRPVPCES-CQSZACIVSA-N 1 1 360.845 3.411 20 30 FGEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c1 ZINC000876942975 736165668 /nfs/dbraw/zinc/16/56/68/736165668.db2.gz KYLJHKLXMZMYGX-UHFFFAOYSA-N 1 1 358.898 3.450 20 30 FGEDMO CN(C(=O)[C@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1)c1ccccc1 ZINC000877494338 736671773 /nfs/dbraw/zinc/67/17/73/736671773.db2.gz OUEYNYCVGMWNGI-HNNXBMFYSA-N 1 1 354.841 3.092 20 30 FGEDMO CN(C(=O)[C@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1)c1ccccc1 ZINC000877494338 736671775 /nfs/dbraw/zinc/67/17/75/736671775.db2.gz OUEYNYCVGMWNGI-HNNXBMFYSA-N 1 1 354.841 3.092 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000877740516 736712328 /nfs/dbraw/zinc/71/23/28/736712328.db2.gz VWFYGGBFUHTGAG-WMZOPIPTSA-N 1 1 353.495 3.044 20 30 FGEDMO CC(C)(O)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000879626326 737018421 /nfs/dbraw/zinc/01/84/21/737018421.db2.gz ILFHSUXXELENHF-UHFFFAOYSA-N 1 1 363.889 3.070 20 30 FGEDMO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(C(F)(F)F)nc1 ZINC000880102103 737119691 /nfs/dbraw/zinc/11/96/91/737119691.db2.gz SOZDAKNCPVXKLW-VIFPVBQESA-N 1 1 354.357 3.323 20 30 FGEDMO C#CC[C@H]1CC[N@H+](Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)C1 ZINC000886361586 739249643 /nfs/dbraw/zinc/24/96/43/739249643.db2.gz NRNCAWXWKDRICT-INIZCTEOSA-N 1 1 353.491 3.478 20 30 FGEDMO C=CCC1(O)CC[NH+](Cc2nc3cc(Br)ccc3o2)CC1 ZINC000886778632 739298224 /nfs/dbraw/zinc/29/82/24/739298224.db2.gz LEYOVOWZJUENNG-UHFFFAOYSA-N 1 1 351.244 3.493 20 30 FGEDMO C=C(CC)Cn1cc(-c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)sc2C)nn1 ZINC000887453425 739376258 /nfs/dbraw/zinc/37/62/58/739376258.db2.gz BDVZDNGDJBSFIZ-GDBMZVCRSA-N 1 1 359.499 3.212 20 30 FGEDMO C=C(CC)Cn1cc(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)sc2C)nn1 ZINC000887453426 739376391 /nfs/dbraw/zinc/37/63/91/739376391.db2.gz BDVZDNGDJBSFIZ-GOEBONIOSA-N 1 1 359.499 3.212 20 30 FGEDMO COc1ccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c(OC(F)F)c1 ZINC000897602224 742694269 /nfs/dbraw/zinc/69/42/69/742694269.db2.gz JPKFHGDLURADBQ-UHFFFAOYSA-N 1 1 353.365 3.134 20 30 FGEDMO CC[N@@H+]1CCc2nc(NC(=O)C(F)(F)c3ccccc3C#N)sc2C1 ZINC000900019141 743043338 /nfs/dbraw/zinc/04/33/38/743043338.db2.gz XWLXQFMFARMDOQ-UHFFFAOYSA-N 1 1 362.405 3.123 20 30 FGEDMO CC[N@H+]1CCc2nc(NC(=O)C(F)(F)c3ccccc3C#N)sc2C1 ZINC000900019141 743043346 /nfs/dbraw/zinc/04/33/46/743043346.db2.gz XWLXQFMFARMDOQ-UHFFFAOYSA-N 1 1 362.405 3.123 20 30 FGEDMO CC(C)(C)OC(=O)NC[C@H]1CCC(=[NH+]n2cc(Br)cn2)C1 ZINC000901207250 743237619 /nfs/dbraw/zinc/23/76/19/743237619.db2.gz PKHITXJEUUSKQF-JTQLQIEISA-N 1 1 357.252 3.175 20 30 FGEDMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)c1 ZINC000903020199 743798133 /nfs/dbraw/zinc/79/81/33/743798133.db2.gz WSSZBISFCDMAFJ-GFCCVEGCSA-N 1 1 363.870 3.251 20 30 FGEDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc(C#N)ccn1 ZINC000903070855 743801517 /nfs/dbraw/zinc/80/15/17/743801517.db2.gz YHQIYAGPBDWAMO-IAQYHMDHSA-N 1 1 358.804 3.202 20 30 FGEDMO COc1cc(Br)cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c1O ZINC000903263877 743831814 /nfs/dbraw/zinc/83/18/14/743831814.db2.gz ORPLKQOGTHOTFI-QMMMGPOBSA-N 1 1 368.256 3.342 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(F)(F)F)CC1(C)C ZINC000940752706 762160007 /nfs/dbraw/zinc/16/00/07/762160007.db2.gz DDNYNIQSXKKMFB-QLFBSQMISA-N 1 1 362.436 3.137 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC000948852385 762353475 /nfs/dbraw/zinc/35/34/75/762353475.db2.gz MPKJYHRCIMBNMT-PMPSAXMXSA-N 1 1 362.436 3.233 20 30 FGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1 ZINC000948837349 762352013 /nfs/dbraw/zinc/35/20/13/762352013.db2.gz YWLOVELYXIDYMC-SQNIBIBYSA-N 1 1 354.922 3.423 20 30 FGEDMO Cc1cc(C=NN2CC[NH+](C)CC2)c(C)n1-c1ccc(F)c(F)c1F ZINC000914693261 757820916 /nfs/dbraw/zinc/82/09/16/757820916.db2.gz RMYBQMSQNQDURI-UHFFFAOYSA-N 1 1 350.388 3.093 20 30 FGEDMO C=CCc1cc(C[NH2+]Cc2nc(Br)c[nH]2)cc(OC)c1OC ZINC000921695901 758771954 /nfs/dbraw/zinc/77/19/54/758771954.db2.gz XVMLZFXWTMSRHY-UHFFFAOYSA-N 1 1 366.259 3.208 20 30 FGEDMO CCN1CCN(c2ccc(C[NH2+]Cc3csc(C#N)c3)cc2F)CC1 ZINC000921705451 758774948 /nfs/dbraw/zinc/77/49/48/758774948.db2.gz VIARTEGSMLDURT-UHFFFAOYSA-N 1 1 358.486 3.191 20 30 FGEDMO CN1CCO[C@@H]([C@@H]([NH2+]Cc2csc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000921953903 758827059 /nfs/dbraw/zinc/82/70/59/758827059.db2.gz ZBJAOQLVYLBPFS-MSOLQXFVSA-N 1 1 361.898 3.435 20 30 FGEDMO C#CC1(O)CC[NH+](Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000931142999 760789039 /nfs/dbraw/zinc/78/90/39/760789039.db2.gz DCZUFGHSBAGLTA-UHFFFAOYSA-N 1 1 361.239 3.064 20 30 FGEDMO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@@H+](CCCC(C)(C)C#N)C2)C1 ZINC000931852746 760984697 /nfs/dbraw/zinc/98/46/97/760984697.db2.gz WJUSYVPAERIIFC-IBGZPJMESA-N 1 1 351.491 3.028 20 30 FGEDMO FC(F)(F)COc1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)nn1 ZINC000931910134 761000121 /nfs/dbraw/zinc/00/01/21/761000121.db2.gz CFHKEANUQBXHFQ-NSHDSACASA-N 1 1 373.272 3.284 20 30 FGEDMO FC(F)(F)COc1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)nn1 ZINC000931910134 761000134 /nfs/dbraw/zinc/00/01/34/761000134.db2.gz CFHKEANUQBXHFQ-NSHDSACASA-N 1 1 373.272 3.284 20 30 FGEDMO FC1(F)[C@H]2C[N@@H+](CCOC3CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932939458 761278877 /nfs/dbraw/zinc/27/88/77/761278877.db2.gz GOJQZSPNPQCBJH-DTORHVGOSA-N 1 1 353.253 3.268 20 30 FGEDMO CC(C)(C)[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945248 761282647 /nfs/dbraw/zinc/28/26/47/761282647.db2.gz UBQWSIIJTLBMAZ-HRDYMLBCSA-N 1 1 369.296 3.496 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(Cl)s1 ZINC000960885491 762741302 /nfs/dbraw/zinc/74/13/02/762741302.db2.gz WNOJWUDNDRSTSZ-BMFZPTHFSA-N 1 1 368.930 3.415 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2F)C1 ZINC000972373473 762959532 /nfs/dbraw/zinc/95/95/32/762959532.db2.gz LUYNVVSLERVCFN-NUJGCVRESA-N 1 1 366.864 3.103 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2F)C1 ZINC000972373473 762959533 /nfs/dbraw/zinc/95/95/33/762959533.db2.gz LUYNVVSLERVCFN-NUJGCVRESA-N 1 1 366.864 3.103 20 30 FGEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)C2)C1 ZINC000981846869 763527871 /nfs/dbraw/zinc/52/78/71/763527871.db2.gz PPFQBIZYOTYCAW-CVEARBPZSA-N 1 1 356.432 3.303 20 30 FGEDMO CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C[C@@]2(C)C1 ZINC000982279718 763580706 /nfs/dbraw/zinc/58/07/06/763580706.db2.gz FKGHVPWKKUKVFV-DGQTTZFYSA-N 1 1 356.535 3.354 20 30 FGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC000998072769 765095701 /nfs/dbraw/zinc/09/57/01/765095701.db2.gz SOLULMYAZSSRMK-XLAORIBOSA-N 1 1 354.922 3.257 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC(=C)Cl)CC1 ZINC001004552275 765436628 /nfs/dbraw/zinc/43/66/28/765436628.db2.gz MHKCHFIVMDFAPL-KURKYZTESA-N 1 1 352.906 3.033 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC001007357111 765587724 /nfs/dbraw/zinc/58/77/24/765587724.db2.gz NJTHFCVYPSHWBP-LMMKCTJWSA-N 1 1 362.901 3.402 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC001007357111 765587730 /nfs/dbraw/zinc/58/77/30/765587730.db2.gz NJTHFCVYPSHWBP-LMMKCTJWSA-N 1 1 362.901 3.402 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC001015725780 765800143 /nfs/dbraw/zinc/80/01/43/765800143.db2.gz CKVRSRATEVHQHG-XCCUNJHGSA-N 1 1 360.885 3.135 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001015816156 765804110 /nfs/dbraw/zinc/80/41/10/765804110.db2.gz HZMIRHSLCAROPO-AOIWGVFYSA-N 1 1 362.901 3.402 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001015816156 765804116 /nfs/dbraw/zinc/80/41/16/765804116.db2.gz HZMIRHSLCAROPO-AOIWGVFYSA-N 1 1 362.901 3.402 20 30 FGEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC001027884949 766102033 /nfs/dbraw/zinc/10/20/33/766102033.db2.gz UWNPFADWAQMULT-JWRYVHENSA-N 1 1 356.432 3.205 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001027889595 766103094 /nfs/dbraw/zinc/10/30/94/766103094.db2.gz DCCHEZYQZJYWEX-QRVBRYPASA-N 1 1 362.901 3.402 20 30 FGEDMO 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N#Cc1ccc(N2CCC[N@H+](C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000077990317 494209956 /nfs/dbraw/zinc/20/99/56/494209956.db2.gz YFAIVZSDFJSVTP-UHFFFAOYSA-N 1 1 353.388 3.268 20 30 FGEDMO CC[C@H]1CCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000042243463 494211974 /nfs/dbraw/zinc/21/19/74/494211974.db2.gz KMCZISVWGAAGBN-KRWDZBQOSA-N 1 1 352.400 3.438 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054301207 494219475 /nfs/dbraw/zinc/21/94/75/494219475.db2.gz KQHZPGNNRGMBID-SFHVURJKSA-N 1 1 354.494 3.479 20 30 FGEDMO COc1cc(C[N@@H+](C)CC[C@@H](C)O)ccc1OCc1cccc(C#N)c1 ZINC000072712955 494237336 /nfs/dbraw/zinc/23/73/36/494237336.db2.gz GIEZHPFHOQYQBV-MRXNPFEDSA-N 1 1 354.450 3.349 20 30 FGEDMO N#Cc1c(F)cccc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000042848490 494247997 /nfs/dbraw/zinc/24/79/97/494247997.db2.gz STLMTPGKTQGNTK-UHFFFAOYSA-N 1 1 352.413 3.212 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000078255223 494263427 /nfs/dbraw/zinc/26/34/27/494263427.db2.gz VMHWPLDQDXQVKR-UTKZUKDTSA-N 1 1 357.498 3.111 20 30 FGEDMO N#Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000043329774 494287994 /nfs/dbraw/zinc/28/79/94/494287994.db2.gz JBDRGJFVJIWRGI-UHFFFAOYSA-N 1 1 352.413 3.437 20 30 FGEDMO N#Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000043329774 494287999 /nfs/dbraw/zinc/28/79/99/494287999.db2.gz JBDRGJFVJIWRGI-UHFFFAOYSA-N 1 1 352.413 3.437 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](COCC)C1 ZINC000072976207 494296946 /nfs/dbraw/zinc/29/69/46/494296946.db2.gz KKWOSYGVQHNTOV-IRXDYDNUSA-N 1 1 350.528 3.400 20 30 FGEDMO C=CCN(CC(F)(F)F)C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000066305561 494307606 /nfs/dbraw/zinc/30/76/06/494307606.db2.gz JYNMJZXPJUSSCP-GASCZTMLSA-N 1 1 370.415 3.486 20 30 FGEDMO C=CCN(CC(F)(F)F)C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000066305561 494307608 /nfs/dbraw/zinc/30/76/08/494307608.db2.gz JYNMJZXPJUSSCP-GASCZTMLSA-N 1 1 370.415 3.486 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000055377886 494334777 /nfs/dbraw/zinc/33/47/77/494334777.db2.gz IGZLSXLPSHIKFK-INIZCTEOSA-N 1 1 367.449 3.192 20 30 FGEDMO COc1ccc(-c2n[nH]c(NC(=O)C3CC[NH+](C(C)C)CC3)n2)c(OC)c1 ZINC000073225519 494341845 /nfs/dbraw/zinc/34/18/45/494341845.db2.gz YLIHEORHGMJTBT-UHFFFAOYSA-N 1 1 373.457 3.197 20 30 FGEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)Nc1ccccc1OC ZINC000015299804 494347734 /nfs/dbraw/zinc/34/77/34/494347734.db2.gz QLNWXDSLUOJQSC-UHFFFAOYSA-N 1 1 367.449 3.296 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCCc1ccc(C(F)(F)F)cc1 ZINC000089942525 494408514 /nfs/dbraw/zinc/40/85/14/494408514.db2.gz QMYCJLUUFUDMRP-UHFFFAOYSA-N 1 1 365.403 3.380 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccsc3)CC2)cc1 ZINC000046038126 494489202 /nfs/dbraw/zinc/48/92/02/494489202.db2.gz SOUFHYDBBHIOBI-UHFFFAOYSA-N 1 1 354.479 3.037 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021404894 494495773 /nfs/dbraw/zinc/49/57/73/494495773.db2.gz UYVUTOWIWXFYED-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000074312679 494515794 /nfs/dbraw/zinc/51/57/94/494515794.db2.gz DLRQOZPLFLWNPZ-NRFANRHFSA-N 1 1 363.461 3.259 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000074315945 494516524 /nfs/dbraw/zinc/51/65/24/494516524.db2.gz OKKNZEAFUXWFDQ-DLBZAZTESA-N 1 1 354.498 3.487 20 30 FGEDMO Cc1cccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000022773623 494533339 /nfs/dbraw/zinc/53/33/39/494533339.db2.gz HFIRKKFNITYATH-SFHVURJKSA-N 1 1 362.477 3.012 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518550 494535174 /nfs/dbraw/zinc/53/51/74/494535174.db2.gz VIXRJTWDBBMPRI-OAHLLOKOSA-N 1 1 365.433 3.179 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518550 494535180 /nfs/dbraw/zinc/53/51/80/494535180.db2.gz VIXRJTWDBBMPRI-OAHLLOKOSA-N 1 1 365.433 3.179 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529813 494536247 /nfs/dbraw/zinc/53/62/47/494536247.db2.gz UWAVTXOZJJWVQZ-OAHLLOKOSA-N 1 1 365.433 3.179 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529813 494536251 /nfs/dbraw/zinc/53/62/51/494536251.db2.gz UWAVTXOZJJWVQZ-OAHLLOKOSA-N 1 1 365.433 3.179 20 30 FGEDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000067444814 494542611 /nfs/dbraw/zinc/54/26/11/494542611.db2.gz CBLZSEJIZKCORD-CABCVRRESA-N 1 1 359.470 3.086 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000074527754 494553896 /nfs/dbraw/zinc/55/38/96/494553896.db2.gz GHAFVNMYYBHWDH-INIZCTEOSA-N 1 1 354.454 3.213 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000074527754 494553900 /nfs/dbraw/zinc/55/39/00/494553900.db2.gz GHAFVNMYYBHWDH-INIZCTEOSA-N 1 1 354.454 3.213 20 30 FGEDMO CC(C)OCc1ccccc1CNC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000079955601 494557962 /nfs/dbraw/zinc/55/79/62/494557962.db2.gz MTUIORWOPXEUCI-UHFFFAOYSA-N 1 1 365.477 3.231 20 30 FGEDMO CC(C)OCc1ccccc1CNC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000079955601 494557966 /nfs/dbraw/zinc/55/79/66/494557966.db2.gz MTUIORWOPXEUCI-UHFFFAOYSA-N 1 1 365.477 3.231 20 30 FGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000046756664 494562515 /nfs/dbraw/zinc/56/25/15/494562515.db2.gz QETPBQJEEBJRNA-QGZVFWFLSA-N 1 1 365.477 3.482 20 30 FGEDMO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000131409203 494609543 /nfs/dbraw/zinc/60/95/43/494609543.db2.gz QSCOGUVBHXDMKB-NVXWUHKLSA-N 1 1 359.470 3.294 20 30 FGEDMO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000131409203 494609548 /nfs/dbraw/zinc/60/95/48/494609548.db2.gz QSCOGUVBHXDMKB-NVXWUHKLSA-N 1 1 359.470 3.294 20 30 FGEDMO CC[N@H+](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CC1 ZINC000126050900 494619350 /nfs/dbraw/zinc/61/93/50/494619350.db2.gz IDNKPESRNWJKPL-UHFFFAOYSA-N 1 1 373.507 3.125 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CC1 ZINC000126050900 494619356 /nfs/dbraw/zinc/61/93/56/494619356.db2.gz IDNKPESRNWJKPL-UHFFFAOYSA-N 1 1 373.507 3.125 20 30 FGEDMO C[C@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000047052613 494628194 /nfs/dbraw/zinc/62/81/94/494628194.db2.gz XJEZLMGIJCFTNC-SFHVURJKSA-N 1 1 362.477 3.189 20 30 FGEDMO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000121225279 494654045 /nfs/dbraw/zinc/65/40/45/494654045.db2.gz BDSWHILQOCQQHZ-MRXNPFEDSA-N 1 1 356.495 3.343 20 30 FGEDMO CC[N@@H+](CCc1nccs1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000121225279 494654051 /nfs/dbraw/zinc/65/40/51/494654051.db2.gz BDSWHILQOCQQHZ-MRXNPFEDSA-N 1 1 356.495 3.343 20 30 FGEDMO Cc1ncc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000047259257 494665141 /nfs/dbraw/zinc/66/51/41/494665141.db2.gz CJHJOYMCYNNFLE-UHFFFAOYSA-N 1 1 360.508 3.334 20 30 FGEDMO N#CCCn1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(-c2ccccc2)n1 ZINC000091855758 494705708 /nfs/dbraw/zinc/70/57/08/494705708.db2.gz PJYUOVOTWLXMQM-OALUTQOASA-N 1 1 368.506 3.170 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c(-c2ccccc2)n1 ZINC000091855758 494705721 /nfs/dbraw/zinc/70/57/21/494705721.db2.gz PJYUOVOTWLXMQM-OALUTQOASA-N 1 1 368.506 3.170 20 30 FGEDMO C[S@](=O)c1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000092034435 494762495 /nfs/dbraw/zinc/76/24/95/494762495.db2.gz GDPBXVDGPRFRFX-RUZDIDTESA-N 1 1 354.475 3.339 20 30 FGEDMO C[N@H+]1CCC[C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@@H]21 ZINC000092043135 494766286 /nfs/dbraw/zinc/76/62/86/494766286.db2.gz XBHUSKMGZKTFNE-CTNGQTDRSA-N 1 1 363.509 3.380 20 30 FGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000047740352 494767036 /nfs/dbraw/zinc/76/70/36/494767036.db2.gz JVCGCOSSICWLRN-OAQYLSRUSA-N 1 1 363.461 3.276 20 30 FGEDMO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325599 494818326 /nfs/dbraw/zinc/81/83/26/494818326.db2.gz KKOCUWNFLBQHLL-UHFFFAOYSA-N 1 1 359.832 3.441 20 30 FGEDMO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325599 494818331 /nfs/dbraw/zinc/81/83/31/494818331.db2.gz KKOCUWNFLBQHLL-UHFFFAOYSA-N 1 1 359.832 3.441 20 30 FGEDMO CCN1CC[NH+](CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000109022589 494822229 /nfs/dbraw/zinc/82/22/29/494822229.db2.gz GNJMSNFKLKDEFL-INIZCTEOSA-N 1 1 360.527 3.047 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000127101476 494893741 /nfs/dbraw/zinc/89/37/41/494893741.db2.gz OMDRXBKNAUAUAS-PKOBYXMFSA-N 1 1 356.514 3.425 20 30 FGEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CCN1C ZINC000093643850 494907227 /nfs/dbraw/zinc/90/72/27/494907227.db2.gz FHFGLNHQGDNPOW-PXNSSMCTSA-N 1 1 351.498 3.378 20 30 FGEDMO C[C@H]1C[C@@H](N(C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@@H+]1C ZINC000093643850 494907231 /nfs/dbraw/zinc/90/72/31/494907231.db2.gz FHFGLNHQGDNPOW-PXNSSMCTSA-N 1 1 351.498 3.378 20 30 FGEDMO C[C@H]1C[C@@H](N(C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@H+]1C ZINC000093643850 494907232 /nfs/dbraw/zinc/90/72/32/494907232.db2.gz FHFGLNHQGDNPOW-PXNSSMCTSA-N 1 1 351.498 3.378 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000109785973 494917956 /nfs/dbraw/zinc/91/79/56/494917956.db2.gz MDTYNQONKSQMAC-JKSUJKDBSA-N 1 1 361.511 3.114 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000109785973 494917961 /nfs/dbraw/zinc/91/79/61/494917961.db2.gz MDTYNQONKSQMAC-JKSUJKDBSA-N 1 1 361.511 3.114 20 30 FGEDMO N#Cc1cc(F)c(NCCC[NH+]2CCN(Cc3ccccc3)CC2)c(F)c1 ZINC000109809725 494920207 /nfs/dbraw/zinc/92/02/07/494920207.db2.gz IIVRHTXSHMGFAM-UHFFFAOYSA-N 1 1 370.447 3.456 20 30 FGEDMO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000127697065 494983378 /nfs/dbraw/zinc/98/33/78/494983378.db2.gz XQOBOQFGQZHLBN-INIZCTEOSA-N 1 1 362.832 3.417 20 30 FGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)cc3)CC2)cs1 ZINC000111043814 495033050 /nfs/dbraw/zinc/03/30/50/495033050.db2.gz RJRZFQIYQHBQHJ-UHFFFAOYSA-N 1 1 368.506 3.219 20 30 FGEDMO CCn1nc(C)c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000122814952 495035242 /nfs/dbraw/zinc/03/52/42/495035242.db2.gz IBQGPKUNMNSEHN-UHFFFAOYSA-N 1 1 351.498 3.099 20 30 FGEDMO CCn1nc(C)c(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000122814952 495035243 /nfs/dbraw/zinc/03/52/43/495035243.db2.gz IBQGPKUNMNSEHN-UHFFFAOYSA-N 1 1 351.498 3.099 20 30 FGEDMO CCn1nc(C)c(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000122814952 495035244 /nfs/dbraw/zinc/03/52/44/495035244.db2.gz IBQGPKUNMNSEHN-UHFFFAOYSA-N 1 1 351.498 3.099 20 30 FGEDMO C=CCC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000122835937 495038300 /nfs/dbraw/zinc/03/83/00/495038300.db2.gz WAWJEJIRDBKRIH-AWEZNQCLSA-N 1 1 357.281 3.078 20 30 FGEDMO N#Cc1cccnc1N1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000122959065 495060039 /nfs/dbraw/zinc/06/00/39/495060039.db2.gz MPIGLUZNQSMQAO-UHFFFAOYSA-N 1 1 362.355 3.174 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000119000243 495067489 /nfs/dbraw/zinc/06/74/89/495067489.db2.gz BVLKVMNHJLWPBK-WMLDXEAASA-N 1 1 361.511 3.255 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000119000243 495067493 /nfs/dbraw/zinc/06/74/93/495067493.db2.gz BVLKVMNHJLWPBK-WMLDXEAASA-N 1 1 361.511 3.255 20 30 FGEDMO C[C@@H](C#N)Oc1ccc(CNCC2([NH+]3CCCCC3)CCOCC2)cc1 ZINC000111403626 495070924 /nfs/dbraw/zinc/07/09/24/495070924.db2.gz WTTLOTJSDJOPSP-SFHVURJKSA-N 1 1 357.498 3.102 20 30 FGEDMO N#Cc1ccsc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000101531503 495072593 /nfs/dbraw/zinc/07/25/93/495072593.db2.gz ZRXGGTJYBMNOAQ-UHFFFAOYSA-N 1 1 353.491 3.400 20 30 FGEDMO CC[N@@H+](CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C1CC1 ZINC000111849956 495119962 /nfs/dbraw/zinc/11/99/62/495119962.db2.gz SZHJSKVKRJMNND-UHFFFAOYSA-N 1 1 370.497 3.032 20 30 FGEDMO C=CCN(CC=C)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000111889067 495125334 /nfs/dbraw/zinc/12/53/34/495125334.db2.gz RDZJBERZMGGYBZ-UHFFFAOYSA-N 1 1 362.543 3.301 20 30 FGEDMO Cc1ccc([C@H](CNCc2cnc3ccc(C#N)cn23)[NH+]2CCCC2)cc1 ZINC000123516639 495144987 /nfs/dbraw/zinc/14/49/87/495144987.db2.gz CSABMOOYJDENGI-NRFANRHFSA-N 1 1 359.477 3.441 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1OCCCC#N ZINC000123745545 495180651 /nfs/dbraw/zinc/18/06/51/495180651.db2.gz KVGDCMOZPHIAJM-PBHICJAKSA-N 1 1 372.387 3.265 20 30 FGEDMO N#CC1(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CCC1 ZINC000134646548 495180785 /nfs/dbraw/zinc/18/07/85/495180785.db2.gz XAXOIBPOXKDSPG-UHFFFAOYSA-N 1 1 365.399 3.480 20 30 FGEDMO Cc1nc(CN2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cs1 ZINC000123952635 495211678 /nfs/dbraw/zinc/21/16/78/495211678.db2.gz OQPUMCXUTROGOR-UHFFFAOYSA-N 1 1 369.538 3.119 20 30 FGEDMO C=CCCS(=O)(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000119696711 495220751 /nfs/dbraw/zinc/22/07/51/495220751.db2.gz DAISDEGJQSCUAO-CALCHBBNSA-N 1 1 350.528 3.160 20 30 FGEDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000113229623 495287208 /nfs/dbraw/zinc/28/72/08/495287208.db2.gz VPQFFAKTSSODHN-NVXWUHKLSA-N 1 1 365.433 3.039 20 30 FGEDMO COc1ccccc1CC[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000104709901 495299637 /nfs/dbraw/zinc/29/96/37/495299637.db2.gz IOLRAKIEIJGAMK-UHFFFAOYSA-N 1 1 369.490 3.424 20 30 FGEDMO COc1ccccc1CC[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000104709901 495299640 /nfs/dbraw/zinc/29/96/40/495299640.db2.gz IOLRAKIEIJGAMK-UHFFFAOYSA-N 1 1 369.490 3.424 20 30 FGEDMO CC(C)NC(=O)C[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000120277698 495341911 /nfs/dbraw/zinc/34/19/11/495341911.db2.gz RIAXWMPTXVEXGJ-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO CC(C)NC(=O)C[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000120277698 495341914 /nfs/dbraw/zinc/34/19/14/495341914.db2.gz RIAXWMPTXVEXGJ-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000577699970 505778157 /nfs/dbraw/zinc/77/81/57/505778157.db2.gz CIXVQOQGAUKXLT-FQEVSTJZSA-N 1 1 354.498 3.497 20 30 FGEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000114501628 495386415 /nfs/dbraw/zinc/38/64/15/495386415.db2.gz POLKNBDNTUVXRV-OLZOCXBDSA-N 1 1 371.412 3.392 20 30 FGEDMO Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130509471 495403581 /nfs/dbraw/zinc/40/35/81/495403581.db2.gz ZQVBTCPBVGZXHC-CYBMUJFWSA-N 1 1 359.861 3.066 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C)C1 ZINC000120709783 495440436 /nfs/dbraw/zinc/44/04/36/495440436.db2.gz OLWODQLDMJFHNX-IUODEOHRSA-N 1 1 366.412 3.354 20 30 FGEDMO CSCC[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000138239101 495457841 /nfs/dbraw/zinc/45/78/41/495457841.db2.gz TTXIVOJSUFYOBS-UHFFFAOYSA-N 1 1 374.510 3.241 20 30 FGEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000120858265 495472481 /nfs/dbraw/zinc/47/24/81/495472481.db2.gz HLTMUVAJBYFQAA-KXBFYZLASA-N 1 1 367.449 3.142 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139979340 495486077 /nfs/dbraw/zinc/48/60/77/495486077.db2.gz FEJTWOIJRUQAAF-YQVWRLOYSA-N 1 1 361.555 3.067 20 30 FGEDMO N#CCc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000139991210 495487373 /nfs/dbraw/zinc/48/73/73/495487373.db2.gz RXYHTIUSDMKXDI-KRWDZBQOSA-N 1 1 353.491 3.456 20 30 FGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1OC ZINC000125732039 495489892 /nfs/dbraw/zinc/48/98/92/495489892.db2.gz JJQFGOMDVDRGQZ-UHFFFAOYSA-N 1 1 370.449 3.233 20 30 FGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1OC ZINC000125732039 495489896 /nfs/dbraw/zinc/48/98/96/495489896.db2.gz JJQFGOMDVDRGQZ-UHFFFAOYSA-N 1 1 370.449 3.233 20 30 FGEDMO CC[N@H+]1CC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115341242 495492528 /nfs/dbraw/zinc/49/25/28/495492528.db2.gz ZLOLXCDVEDUJJP-LJQANCHMSA-N 1 1 363.461 3.209 20 30 FGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131275251 495515694 /nfs/dbraw/zinc/51/56/94/495515694.db2.gz ZVLNZQVYEZBWCJ-MNEFBYGVSA-N 1 1 373.497 3.217 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557374 495516935 /nfs/dbraw/zinc/51/69/35/495516935.db2.gz SBZDTDROIQURBM-FOIQADDNSA-N 1 1 361.461 3.112 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185440259 495577096 /nfs/dbraw/zinc/57/70/96/495577096.db2.gz SFPFXVGQHAETQM-HNAYVOBHSA-N 1 1 358.461 3.051 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159003159 495635040 /nfs/dbraw/zinc/63/50/40/495635040.db2.gz WLZOPDGSOQQPHT-RXVVDRJESA-N 1 1 362.562 3.017 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+](CCC)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000179644766 495675154 /nfs/dbraw/zinc/67/51/54/495675154.db2.gz KZEVOIQQRRGTCM-KRWDZBQOSA-N 1 1 367.511 3.049 20 30 FGEDMO C=C(C)COc1cc(C[N@H+](CCC)[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000179644766 495675156 /nfs/dbraw/zinc/67/51/56/495675156.db2.gz KZEVOIQQRRGTCM-KRWDZBQOSA-N 1 1 367.511 3.049 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(C(F)(F)F)CC3)C2=O)cc1 ZINC000182815736 495713931 /nfs/dbraw/zinc/71/39/31/495713931.db2.gz FABLGCOAXJIWHF-INIZCTEOSA-N 1 1 351.372 3.328 20 30 FGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000176746992 495771042 /nfs/dbraw/zinc/77/10/42/495771042.db2.gz AYZVLMGEHMWKRQ-IBGZPJMESA-N 1 1 354.498 3.210 20 30 FGEDMO N#Cc1c(C[NH+]2CCC(CCCN3CCOCC3)CC2)cn2ccccc12 ZINC000182951763 495772341 /nfs/dbraw/zinc/77/23/41/495772341.db2.gz CRYSOBDVOWQKAU-UHFFFAOYSA-N 1 1 366.509 3.135 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)c(F)c3F)CC2)cc1 ZINC000176782815 495782227 /nfs/dbraw/zinc/78/22/27/495782227.db2.gz FNYJGQWXNGXAHE-UHFFFAOYSA-N 1 1 373.378 3.324 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)c(F)c3F)CC2)cc1 ZINC000176782815 495782233 /nfs/dbraw/zinc/78/22/33/495782233.db2.gz FNYJGQWXNGXAHE-UHFFFAOYSA-N 1 1 373.378 3.324 20 30 FGEDMO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1O ZINC000179974062 495806876 /nfs/dbraw/zinc/80/68/76/495806876.db2.gz YXOLDPWEAPUJDQ-UHFFFAOYSA-N 1 1 362.433 3.305 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000180011570 495822452 /nfs/dbraw/zinc/82/24/52/495822452.db2.gz JDNYJZHOMXCINE-IRXDYDNUSA-N 1 1 358.486 3.467 20 30 FGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000180087537 495853775 /nfs/dbraw/zinc/85/37/75/495853775.db2.gz GBMPQSLNZDADAL-OAHLLOKOSA-N 1 1 370.428 3.370 20 30 FGEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000568921569 505808098 /nfs/dbraw/zinc/80/80/98/505808098.db2.gz IJABJYUNBHBABQ-CQSZACIVSA-N 1 1 367.415 3.262 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000180193589 495900157 /nfs/dbraw/zinc/90/01/57/495900157.db2.gz KINICJXDSWITKQ-QUCCMNQESA-N 1 1 351.475 3.212 20 30 FGEDMO Cn1cc(C[N@H+]2CCOC3(CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180200933 495903231 /nfs/dbraw/zinc/90/32/31/495903231.db2.gz MCVCNEQWUPGASQ-UHFFFAOYSA-N 1 1 350.466 3.494 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000180232815 495918161 /nfs/dbraw/zinc/91/81/61/495918161.db2.gz QWUMHRGZBSPSJJ-UHFFFAOYSA-N 1 1 354.450 3.219 20 30 FGEDMO COc1ccc(C[NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)cc1C#N ZINC000174342141 495918619 /nfs/dbraw/zinc/91/86/19/495918619.db2.gz CYSTXCMHXOLTLL-SFHVURJKSA-N 1 1 363.421 3.499 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000180271838 495931591 /nfs/dbraw/zinc/93/15/91/495931591.db2.gz HJPNRZYLPSLHCX-UZLBHIALSA-N 1 1 360.465 3.238 20 30 FGEDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)nc1 ZINC000177199559 495973202 /nfs/dbraw/zinc/97/32/02/495973202.db2.gz XFOKOFOLZTVJPB-MRXNPFEDSA-N 1 1 356.813 3.181 20 30 FGEDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)nc1 ZINC000177199559 495973204 /nfs/dbraw/zinc/97/32/04/495973204.db2.gz XFOKOFOLZTVJPB-MRXNPFEDSA-N 1 1 356.813 3.181 20 30 FGEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000174520681 495993090 /nfs/dbraw/zinc/99/30/90/495993090.db2.gz JMGHRURVWVHKCS-MRXNPFEDSA-N 1 1 367.449 3.144 20 30 FGEDMO C[N@@H+](CCCSCC#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160753829 496036084 /nfs/dbraw/zinc/03/60/84/496036084.db2.gz ZMBQZMDSXJUAPI-XYPWUTKMSA-N 1 1 353.532 3.496 20 30 FGEDMO CC[C@H](C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CC ZINC000571816905 505820665 /nfs/dbraw/zinc/82/06/65/505820665.db2.gz BAHCIRCZPPGZHN-KRWDZBQOSA-N 1 1 366.513 3.395 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000186699198 496112281 /nfs/dbraw/zinc/11/22/81/496112281.db2.gz CNGQMLYPLIJINI-FYYLOGMGSA-N 1 1 373.456 3.185 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000186699198 496112286 /nfs/dbraw/zinc/11/22/86/496112286.db2.gz CNGQMLYPLIJINI-FYYLOGMGSA-N 1 1 373.456 3.185 20 30 FGEDMO C[C@@H]1C[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@H+]1C ZINC000174873710 496143802 /nfs/dbraw/zinc/14/38/02/496143802.db2.gz JNFZZXVNJLJKMM-IAGOWNOFSA-N 1 1 352.482 3.152 20 30 FGEDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000186807711 496161012 /nfs/dbraw/zinc/16/10/12/496161012.db2.gz WQGNDTCHZNOTHZ-UHFFFAOYSA-N 1 1 363.461 3.303 20 30 FGEDMO Cc1nc(-c2cc3c(s2)CC[N@H+](CCC(=O)N(C)CCC#N)C3)cs1 ZINC000180882614 496184710 /nfs/dbraw/zinc/18/47/10/496184710.db2.gz BADKTJVAMGVNMD-UHFFFAOYSA-N 1 1 374.535 3.300 20 30 FGEDMO C[C@H](C[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nccs1 ZINC000183986608 496188752 /nfs/dbraw/zinc/18/87/52/496188752.db2.gz FXKAAUGPZPGUCE-RHSMWYFYSA-N 1 1 354.479 3.246 20 30 FGEDMO Cn1cc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180906732 496194569 /nfs/dbraw/zinc/19/45/69/496194569.db2.gz ZSRVMSMQKUDLQJ-JOCHJYFZSA-N 1 1 372.472 3.402 20 30 FGEDMO Cn1cc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180906732 496194571 /nfs/dbraw/zinc/19/45/71/496194571.db2.gz ZSRVMSMQKUDLQJ-JOCHJYFZSA-N 1 1 372.472 3.402 20 30 FGEDMO N#CCC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)CCN1CCOCC1 ZINC000177815105 496207085 /nfs/dbraw/zinc/20/70/85/496207085.db2.gz SRIGGVUITAGWPV-UHFFFAOYSA-N 1 1 369.431 3.186 20 30 FGEDMO N#CCC[N@H+](CCCc1ccc(C(F)(F)F)cc1)CCN1CCOCC1 ZINC000177815105 496207090 /nfs/dbraw/zinc/20/70/90/496207090.db2.gz SRIGGVUITAGWPV-UHFFFAOYSA-N 1 1 369.431 3.186 20 30 FGEDMO N#Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000172204923 496208830 /nfs/dbraw/zinc/20/88/30/496208830.db2.gz BQTOJEBILYNBOS-IBGZPJMESA-N 1 1 366.440 3.161 20 30 FGEDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C[C@@H]21 ZINC000580756696 505830270 /nfs/dbraw/zinc/83/02/70/505830270.db2.gz UTRLYCRKNLTTKV-BEFAXECRSA-N 1 1 365.408 3.266 20 30 FGEDMO CCC[C@@H]1CN(C(=O)c2cc(C#N)cn2C)CC[N@H+]1Cc1ccccc1 ZINC000181021721 496244772 /nfs/dbraw/zinc/24/47/72/496244772.db2.gz KKKJDHXEXKLNDI-LJQANCHMSA-N 1 1 350.466 3.023 20 30 FGEDMO N#Cc1cnc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000181136154 496283528 /nfs/dbraw/zinc/28/35/28/496283528.db2.gz OGUHFKGEJLAJCY-KRWDZBQOSA-N 1 1 356.857 3.175 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1OC ZINC000172418254 496289375 /nfs/dbraw/zinc/28/93/75/496289375.db2.gz ACSXHHZUYUIRJY-UHFFFAOYSA-N 1 1 358.482 3.351 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000580780622 505837140 /nfs/dbraw/zinc/83/71/40/505837140.db2.gz FOPJFMAUWJETNT-VGSWGCGISA-N 1 1 363.461 3.106 20 30 FGEDMO C=CCOCCCC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000153027959 496331310 /nfs/dbraw/zinc/33/13/10/496331310.db2.gz KODKSJVENDTULW-LJQANCHMSA-N 1 1 368.481 3.251 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[N@H+](C2CC2)CC1 ZINC000172539962 496333448 /nfs/dbraw/zinc/33/34/48/496333448.db2.gz ATKIISGFJSSREQ-INIZCTEOSA-N 1 1 372.538 3.189 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172581837 496350763 /nfs/dbraw/zinc/35/07/63/496350763.db2.gz UHTJZFZVDLGNGB-GSVIPDFHSA-N 1 1 374.573 3.256 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000153470856 496465331 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FGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000164347744 496606509 /nfs/dbraw/zinc/60/65/09/496606509.db2.gz RVOFIZILPJGSMP-SFHVURJKSA-N 1 1 355.482 3.096 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000158125274 496632784 /nfs/dbraw/zinc/63/27/84/496632784.db2.gz AOIGDBMWHMDNBF-FQEVSTJZSA-N 1 1 366.461 3.318 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000154008804 496652433 /nfs/dbraw/zinc/65/24/33/496652433.db2.gz NSLSORTVWXGGOH-IAGOWNOFSA-N 1 1 361.873 3.430 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000154008804 496652443 /nfs/dbraw/zinc/65/24/43/496652443.db2.gz NSLSORTVWXGGOH-IAGOWNOFSA-N 1 1 361.873 3.430 20 30 FGEDMO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000154043822 496664884 /nfs/dbraw/zinc/66/48/84/496664884.db2.gz IJLMDHOPBIXTJH-UHFFFAOYSA-N 1 1 363.870 3.383 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)[C@@H](C)CO ZINC000578086356 505858571 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496967332 /nfs/dbraw/zinc/96/73/32/496967332.db2.gz VZFHGLMYCAHNBD-UHFFFAOYSA-N 1 1 354.454 3.161 20 30 FGEDMO Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000198869641 496971077 /nfs/dbraw/zinc/97/10/77/496971077.db2.gz TVQAWFNZQCCFKB-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000198869641 496971081 /nfs/dbraw/zinc/97/10/81/496971081.db2.gz TVQAWFNZQCCFKB-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO N#Cc1ccc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1O ZINC000569207143 505878256 /nfs/dbraw/zinc/87/82/56/505878256.db2.gz RATAVDSGSMOEEK-QFIPXVFZSA-N 1 1 361.445 3.002 20 30 FGEDMO C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248407643 496999381 /nfs/dbraw/zinc/99/93/81/496999381.db2.gz UOQURYMRMPLPNS-SOLBZPMBSA-N 1 1 355.482 3.095 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000572082690 505884178 /nfs/dbraw/zinc/88/41/78/505884178.db2.gz MRPFXCOUSYEIAZ-FQEVSTJZSA-N 1 1 362.477 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20 30 FGEDMO C#CCOc1ccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000271197751 497287519 /nfs/dbraw/zinc/28/75/19/497287519.db2.gz VJMNUEDFYQFBHV-UHFFFAOYSA-N 1 1 362.473 3.435 20 30 FGEDMO C=CC[C@@H](C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000275342761 497296064 /nfs/dbraw/zinc/29/60/64/497296064.db2.gz PBQJYOVSKYYNKB-JOCHJYFZSA-N 1 1 369.553 3.363 20 30 FGEDMO N#CC(CC[N@@H+]1CCO[C@@]2(CCOC2)C1)(c1ccccc1)c1ccccc1 ZINC000193122904 497308282 /nfs/dbraw/zinc/30/82/82/497308282.db2.gz OOZDYMZWHVSHLZ-QFIPXVFZSA-N 1 1 362.473 3.378 20 30 FGEDMO N#CC(CC[N@H+]1CCO[C@@]2(CCOC2)C1)(c1ccccc1)c1ccccc1 ZINC000193122904 497308286 /nfs/dbraw/zinc/30/82/86/497308286.db2.gz OOZDYMZWHVSHLZ-QFIPXVFZSA-N 1 1 362.473 3.378 20 30 FGEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000190145690 497374866 /nfs/dbraw/zinc/37/48/66/497374866.db2.gz QRCNPDRMNQQVNG-IBGZPJMESA-N 1 1 351.406 3.010 20 30 FGEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000190145690 497374867 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C[C@@H]([NH2+]CC(=O)NCC1CCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364950680 498224968 /nfs/dbraw/zinc/22/49/68/498224968.db2.gz JTELSODELWZNHD-CYBMUJFWSA-N 1 1 354.479 3.249 20 30 FGEDMO N#CC1(c2ccccn2)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000572573268 506000595 /nfs/dbraw/zinc/00/05/95/506000595.db2.gz SORKBVZORBECAI-LJQANCHMSA-N 1 1 366.509 3.262 20 30 FGEDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1cccc(Cl)c1 ZINC000331109693 498254731 /nfs/dbraw/zinc/25/47/31/498254731.db2.gz KLRUGYMDXDGQAM-ZIAGYGMSSA-N 1 1 353.894 3.092 20 30 FGEDMO CCNC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000331140799 498260714 /nfs/dbraw/zinc/26/07/14/498260714.db2.gz FHKDHAQQOWJCPI-QGZVFWFLSA-N 1 1 361.490 3.158 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000331173366 498267841 /nfs/dbraw/zinc/26/78/41/498267841.db2.gz OXJQNHLURMHNLU-KBPBESRZSA-N 1 1 365.474 3.063 20 30 FGEDMO CCc1ccc([C@@H]2CC[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000581525406 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NWIMRMVXEYAGJB-IBGZPJMESA-N 1 1 362.477 3.294 20 30 FGEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000331677704 498418135 /nfs/dbraw/zinc/41/81/35/498418135.db2.gz QCFDVVNANKYJSY-LJQANCHMSA-N 1 1 355.482 3.347 20 30 FGEDMO N#C[C@@]1(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCc2ccccc2C1 ZINC000575933644 506035878 /nfs/dbraw/zinc/03/58/78/506035878.db2.gz RIRIJZGQESLFNK-FYYLOGMGSA-N 1 1 359.473 3.076 20 30 FGEDMO CC[N@H+]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H](C)C1 ZINC000286611710 498452707 /nfs/dbraw/zinc/45/27/07/498452707.db2.gz RQKKIPMNBDFZNM-HZPDHXFCSA-N 1 1 360.527 3.045 20 30 FGEDMO Cc1ncsc1C(=O)N1CCC[N@@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000365427374 498462101 /nfs/dbraw/zinc/46/21/01/498462101.db2.gz JKFDECUJVOJHMF-OAHLLOKOSA-N 1 1 354.479 3.232 20 30 FGEDMO Cc1ncsc1C(=O)N1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000365427374 498462106 /nfs/dbraw/zinc/46/21/06/498462106.db2.gz JKFDECUJVOJHMF-OAHLLOKOSA-N 1 1 354.479 3.232 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000282394297 498493558 /nfs/dbraw/zinc/49/35/58/498493558.db2.gz HCTOMJNEOBPDMA-MRXNPFEDSA-N 1 1 365.399 3.229 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000282394297 498493566 /nfs/dbraw/zinc/49/35/66/498493566.db2.gz HCTOMJNEOBPDMA-MRXNPFEDSA-N 1 1 365.399 3.229 20 30 FGEDMO C[C@H]1COC(C)(C)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331945509 498508166 /nfs/dbraw/zinc/50/81/66/498508166.db2.gz NIXQXSMIXKUNLL-ZDUSSCGKSA-N 1 1 361.511 3.326 20 30 FGEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000581694840 506045791 /nfs/dbraw/zinc/04/57/91/506045791.db2.gz JWHMVSBRDQFUGX-GFCCVEGCSA-N 1 1 354.401 3.402 20 30 FGEDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000293865150 498516711 /nfs/dbraw/zinc/51/67/11/498516711.db2.gz CHKDBWYQNYLVTP-OAQYLSRUSA-N 1 1 367.497 3.089 20 30 FGEDMO Cc1nc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ccc1C#N ZINC000365537071 498520012 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COc1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1OCCCC#N ZINC000367698336 499226107 /nfs/dbraw/zinc/22/61/07/499226107.db2.gz FAEHBYJLYNWWHQ-QGZVFWFLSA-N 1 1 354.454 3.101 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3Cl)C2)nc1 ZINC000370731517 499248924 /nfs/dbraw/zinc/24/89/24/499248924.db2.gz XNVRNXLOFOIAKE-OAHLLOKOSA-N 1 1 370.840 3.089 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000582136265 506142209 /nfs/dbraw/zinc/14/22/09/506142209.db2.gz GSOVEUFFRBNOQA-VQTJNVASSA-N 1 1 360.461 3.292 20 30 FGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccccc1OCC#N ZINC000368696600 499322988 /nfs/dbraw/zinc/32/29/88/499322988.db2.gz YNUHXKIKSQANIT-SFHVURJKSA-N 1 1 363.461 3.326 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371463579 499329973 /nfs/dbraw/zinc/32/99/73/499329973.db2.gz JFZDEYCEZFMVRB-QFIPXVFZSA-N 1 1 360.461 3.482 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000371463579 499329974 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355.482 3.240 20 30 FGEDMO N#Cc1ncn(C2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)n1 ZINC000369390158 499398620 /nfs/dbraw/zinc/39/86/20/499398620.db2.gz XEKPRIUVXSDJQD-UHFFFAOYSA-N 1 1 350.451 3.110 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ncccc3C)C2)cc1C#N ZINC000372170594 499405444 /nfs/dbraw/zinc/40/54/44/499405444.db2.gz UGXIJHZXUJYIHD-QGZVFWFLSA-N 1 1 364.449 3.121 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000372274726 499415736 /nfs/dbraw/zinc/41/57/36/499415736.db2.gz SEZZESHNJHQQKV-INIZCTEOSA-N 1 1 372.425 3.071 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)cc1OC ZINC000372413578 499431798 /nfs/dbraw/zinc/43/17/98/499431798.db2.gz OGORQIBFPYSURL-UHFFFAOYSA-N 1 1 370.449 3.201 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)cc1OC ZINC000372413578 499431799 /nfs/dbraw/zinc/43/17/99/499431799.db2.gz OGORQIBFPYSURL-UHFFFAOYSA-N 1 1 370.449 3.201 20 30 FGEDMO C=CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000372422702 499432962 /nfs/dbraw/zinc/43/29/62/499432962.db2.gz RYDYHKFUXVNYTD-CTNGQTDRSA-N 1 1 355.526 3.021 20 30 FGEDMO C=CCC[C@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372422702 499432964 /nfs/dbraw/zinc/43/29/64/499432964.db2.gz RYDYHKFUXVNYTD-CTNGQTDRSA-N 1 1 355.526 3.021 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3OCC[C@H]3C2)ccc1Cl ZINC000369675093 499435126 /nfs/dbraw/zinc/43/51/26/499435126.db2.gz CUGBHSISWZVSMD-MAUKXSAKSA-N 1 1 361.873 3.006 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCOC[C@H]2Cc2c[nH]c3ccccc23)cc1 ZINC000369705120 499438061 /nfs/dbraw/zinc/43/80/61/499438061.db2.gz UZKIIFZTLDUBOO-DENIHFKCSA-N 1 1 361.445 3.016 20 30 FGEDMO Cc1sc(Cl)nc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000373039005 499448437 /nfs/dbraw/zinc/44/84/37/499448437.db2.gz YODVSLNQLAUQOX-UHFFFAOYSA-N 1 1 374.897 3.325 20 30 FGEDMO Cc1sc(Cl)nc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000373039005 499448438 /nfs/dbraw/zinc/44/84/38/499448438.db2.gz YODVSLNQLAUQOX-UHFFFAOYSA-N 1 1 374.897 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C=CC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccccc1 ZINC000373601460 499479155 /nfs/dbraw/zinc/47/91/55/499479155.db2.gz OEDXAVPOJOAMMP-ZIBCJSCZSA-N 1 1 356.510 3.352 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000375452081 499520824 /nfs/dbraw/zinc/52/08/24/499520824.db2.gz DBURWMVIPVPMAS-RMJJICAUSA-N 1 1 361.530 3.123 20 30 FGEDMO C=CCN(C(=O)c1cnc(COC)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000375640547 499540421 /nfs/dbraw/zinc/54/04/21/499540421.db2.gz HRQVXHJESJOBIL-QGZVFWFLSA-N 1 1 371.506 3.192 20 30 FGEDMO CC1([C@H]2CCC[N@@H+](Cc3ncc(-c4ccc(C#N)cc4)o3)C2)OCCO1 ZINC000378650505 499540976 /nfs/dbraw/zinc/54/09/76/499540976.db2.gz PKGNAGIBFLQYFT-KRWDZBQOSA-N 1 1 353.422 3.188 20 30 FGEDMO N#Cc1ccc(OCC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000379692822 499542538 /nfs/dbraw/zinc/54/25/38/499542538.db2.gz HOPCJSRAJBFNLO-HXUWFJFHSA-N 1 1 363.461 3.108 20 30 FGEDMO N#CC1(CCC[N@@H+]2CCCC[C@@H]2COC(=O)N2CCCC2)CCOCC1 ZINC000375765763 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CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507260454 503263186 /nfs/dbraw/zinc/26/31/86/503263186.db2.gz ILSWUJXJDCLWKU-MGPUTAFESA-N 1 1 360.477 3.145 20 30 FGEDMO Cn1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000491085661 503271113 /nfs/dbraw/zinc/27/11/13/503271113.db2.gz IPUFAOQRAZIOKD-UHFFFAOYSA-N 1 1 373.416 3.425 20 30 FGEDMO Cn1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000491085661 503271116 /nfs/dbraw/zinc/27/11/16/503271116.db2.gz IPUFAOQRAZIOKD-UHFFFAOYSA-N 1 1 373.416 3.425 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593054574 506361929 /nfs/dbraw/zinc/36/19/29/506361929.db2.gz KNAAGDQFZVSPIK-GFCCVEGCSA-N 1 1 361.383 3.084 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000511230635 503284158 /nfs/dbraw/zinc/28/41/58/503284158.db2.gz RVDNKKGZQQKBMS-KRWDZBQOSA-N 1 1 354.498 3.376 20 30 FGEDMO N#Cc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000599180731 506362821 /nfs/dbraw/zinc/36/28/21/506362821.db2.gz YGALSRJMTDWDGZ-UHFFFAOYSA-N 1 1 361.405 3.270 20 30 FGEDMO COc1ccc(C[N@@H+](CCOc2cccc(C#N)c2)[C@H](CO)C(C)C)cc1 ZINC000491317861 503296915 /nfs/dbraw/zinc/29/69/15/503296915.db2.gz XOSLFHMKBLEBBI-JOCHJYFZSA-N 1 1 368.477 3.465 20 30 FGEDMO CCN1CCN([C@@H](C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507651418 503339551 /nfs/dbraw/zinc/33/95/51/503339551.db2.gz FHPCQZIPKIRNAH-KPQWGBOZSA-N 1 1 354.542 3.006 20 30 FGEDMO C[C@H](CCNC(=O)NCC#Cc1cccc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000511565359 503345022 /nfs/dbraw/zinc/34/50/22/503345022.db2.gz JSYQIVVFYHTNCT-GOSISDBHSA-N 1 1 367.468 3.387 20 30 FGEDMO CCN(CCC#N)C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000492109297 503349628 /nfs/dbraw/zinc/34/96/28/503349628.db2.gz LZAYJRJTJUNBDJ-QGZVFWFLSA-N 1 1 353.388 3.203 20 30 FGEDMO N#Cc1ccc(OC2CC[NH+](CC(=O)NCC3CCCCC3)CC2)cc1 ZINC000507773259 503363349 /nfs/dbraw/zinc/36/33/49/503363349.db2.gz UAXZEINEXMEJEI-UHFFFAOYSA-N 1 1 355.482 3.098 20 30 FGEDMO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507832555 503376510 /nfs/dbraw/zinc/37/65/10/503376510.db2.gz ACOBQUKVTJIIQH-QGZVFWFLSA-N 1 1 369.509 3.486 20 30 FGEDMO N#Cc1cccc(NC(=O)C[NH2+][C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000611938760 506368824 /nfs/dbraw/zinc/36/88/24/506368824.db2.gz WHAGMTCGSZUXMY-OAQYLSRUSA-N 1 1 362.477 3.314 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](CNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000515893416 503416618 /nfs/dbraw/zinc/41/66/18/503416618.db2.gz BSCFRMGGDSMGOQ-GOSISDBHSA-N 1 1 351.498 3.284 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](CNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000515893416 503416624 /nfs/dbraw/zinc/41/66/24/503416624.db2.gz BSCFRMGGDSMGOQ-GOSISDBHSA-N 1 1 351.498 3.284 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](CCCO)C(c2ccccc2)c2ccccc2)C1=O ZINC000499530164 503425917 /nfs/dbraw/zinc/42/59/17/503425917.db2.gz IBSIQBNOHSMKCQ-OAQYLSRUSA-N 1 1 364.489 3.247 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C ZINC000499563628 503432863 /nfs/dbraw/zinc/43/28/63/503432863.db2.gz QMEDMWHBIIXWIF-NWDGAFQWSA-N 1 1 352.385 3.106 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000499597705 503439923 /nfs/dbraw/zinc/43/99/23/503439923.db2.gz FBQVFGQGYLBWQM-QGZVFWFLSA-N 1 1 368.308 3.292 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCCOC1 ZINC000593066415 506371824 /nfs/dbraw/zinc/37/18/24/506371824.db2.gz CUFKPINPRNXNOU-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCOC1 ZINC000593069437 506373191 /nfs/dbraw/zinc/37/31/91/506373191.db2.gz RUXWJEPNNBWUHS-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCOC1 ZINC000593069437 506373200 /nfs/dbraw/zinc/37/32/00/506373200.db2.gz RUXWJEPNNBWUHS-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO Cc1onc(CC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1C#N ZINC000499781419 503481128 /nfs/dbraw/zinc/48/11/28/503481128.db2.gz NQKPUXNIBPUHSW-AWEZNQCLSA-N 1 1 352.438 3.410 20 30 FGEDMO C=C(C)C[N@@H+](CCC(=O)N1CCc2sccc2C1)Cc1ccc(CO)o1 ZINC000512227419 503492026 /nfs/dbraw/zinc/49/20/26/503492026.db2.gz MDKMKMRYTQEWTJ-UHFFFAOYSA-N 1 1 374.506 3.187 20 30 FGEDMO C=CCn1c(CCCc2cccs2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000508497461 503506116 /nfs/dbraw/zinc/50/61/16/503506116.db2.gz LJBBISCFNRAMOV-GOSISDBHSA-N 1 1 373.570 3.477 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(F)c(F)c1 ZINC000504031858 503513046 /nfs/dbraw/zinc/51/30/46/503513046.db2.gz GGBJXJRFZKJMPS-PKOBYXMFSA-N 1 1 370.403 3.185 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(F)c(F)c1 ZINC000504031858 503513052 /nfs/dbraw/zinc/51/30/52/503513052.db2.gz GGBJXJRFZKJMPS-PKOBYXMFSA-N 1 1 370.403 3.185 20 30 FGEDMO C=CCn1c(C2CC2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000508684647 503542710 /nfs/dbraw/zinc/54/27/10/503542710.db2.gz XHUXKLLWKSHHMK-INIZCTEOSA-N 1 1 367.497 3.233 20 30 FGEDMO COc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000512421291 503545122 /nfs/dbraw/zinc/54/51/22/503545122.db2.gz QVZYBSNXUAIUGN-UHFFFAOYSA-N 1 1 358.445 3.437 20 30 FGEDMO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000508813542 503568805 /nfs/dbraw/zinc/56/88/05/503568805.db2.gz PMJXGBXPDCEQTH-KRWDZBQOSA-N 1 1 364.497 3.171 20 30 FGEDMO COc1cccc(C2(F)CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000500169483 503570493 /nfs/dbraw/zinc/57/04/93/503570493.db2.gz UJIRROUNPBTJTG-UHFFFAOYSA-N 1 1 373.472 3.298 20 30 FGEDMO CCn1cc(C[N@H+](C(C)C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000593080661 506380169 /nfs/dbraw/zinc/38/01/69/506380169.db2.gz ORZHRGJUXUSMCI-HXUWFJFHSA-N 1 1 365.481 3.181 20 30 FGEDMO CCn1cc(C[N@@H+](C(C)C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000593080661 506380174 /nfs/dbraw/zinc/38/01/74/506380174.db2.gz ORZHRGJUXUSMCI-HXUWFJFHSA-N 1 1 365.481 3.181 20 30 FGEDMO CN(C)c1cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)cc[nH+]1 ZINC000500427111 503622205 /nfs/dbraw/zinc/62/22/05/503622205.db2.gz VEHDNMRMAOUXNU-UHFFFAOYSA-N 1 1 362.389 3.444 20 30 FGEDMO N#Cc1ccc(OC2CC[NH+](CC[S@](=O)c3ccccc3)CC2)c(F)c1 ZINC000512823683 503640448 /nfs/dbraw/zinc/64/04/48/503640448.db2.gz MBEVKLUTPMLYGV-SANMLTNESA-N 1 1 372.465 3.348 20 30 FGEDMO Cc1cc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)cn2cc[nH+]c12 ZINC000517074314 503658830 /nfs/dbraw/zinc/65/88/30/503658830.db2.gz CZPFDZMUYUFUAU-UHFFFAOYSA-N 1 1 360.421 3.127 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC[C@H]2[C@H](C)O)c1C#N ZINC000532957804 503674943 /nfs/dbraw/zinc/67/49/43/503674943.db2.gz DTCMWIZFNVSJHD-LPHOPBHVSA-N 1 1 372.513 3.266 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H](C)O)c1C#N ZINC000532957804 503674948 /nfs/dbraw/zinc/67/49/48/503674948.db2.gz DTCMWIZFNVSJHD-LPHOPBHVSA-N 1 1 372.513 3.266 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000495150096 503683104 /nfs/dbraw/zinc/68/31/04/503683104.db2.gz IQEODMCIOFVEHP-FXAWDEMLSA-N 1 1 357.498 3.157 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000495150096 503683108 /nfs/dbraw/zinc/68/31/08/503683108.db2.gz IQEODMCIOFVEHP-FXAWDEMLSA-N 1 1 357.498 3.157 20 30 FGEDMO C[C@@H](O)C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000532973618 503684019 /nfs/dbraw/zinc/68/40/19/503684019.db2.gz LYEMGMNTULTWCR-CQSZACIVSA-N 1 1 357.841 3.033 20 30 FGEDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1 ZINC000532973618 503684024 /nfs/dbraw/zinc/68/40/24/503684024.db2.gz LYEMGMNTULTWCR-CQSZACIVSA-N 1 1 357.841 3.033 20 30 FGEDMO C=CC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000533003504 503693902 /nfs/dbraw/zinc/69/39/02/503693902.db2.gz MMDYKXBLPNMZGK-INIZCTEOSA-N 1 1 374.448 3.292 20 30 FGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000536742370 503707138 /nfs/dbraw/zinc/70/71/38/503707138.db2.gz HGXBHSZAWGZMOB-WMLDXEAASA-N 1 1 360.502 3.215 20 30 FGEDMO CC(C)[N@H+](CCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533031583 503707159 /nfs/dbraw/zinc/70/71/59/503707159.db2.gz CBYKWSCQEBEJLB-UHFFFAOYSA-N 1 1 362.433 3.496 20 30 FGEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000533031583 503707160 /nfs/dbraw/zinc/70/71/60/503707160.db2.gz CBYKWSCQEBEJLB-UHFFFAOYSA-N 1 1 362.433 3.496 20 30 FGEDMO C[C@@H](Nc1ccc2cc(C#N)ccc2n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000536768716 503718268 /nfs/dbraw/zinc/71/82/68/503718268.db2.gz VWJQNDZCUQMQRY-VGSWGCGISA-N 1 1 372.472 3.230 20 30 FGEDMO C[C@@H](Nc1ccc2cc(C#N)ccc2n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000536768716 503718271 /nfs/dbraw/zinc/71/82/71/503718271.db2.gz VWJQNDZCUQMQRY-VGSWGCGISA-N 1 1 372.472 3.230 20 30 FGEDMO C[N@H+](CCOCc1ccc(C#N)cc1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000517429323 503744215 /nfs/dbraw/zinc/74/42/15/503744215.db2.gz RQDDWYCAIAAMJC-OAQYLSRUSA-N 1 1 363.461 3.027 20 30 FGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000517429323 503744220 /nfs/dbraw/zinc/74/42/20/503744220.db2.gz RQDDWYCAIAAMJC-OAQYLSRUSA-N 1 1 363.461 3.027 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000533303650 503800060 /nfs/dbraw/zinc/80/00/60/503800060.db2.gz LKQSZPZQNQCSJE-DOTOQJQBSA-N 1 1 372.538 3.045 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC000530106164 503839204 /nfs/dbraw/zinc/83/92/04/503839204.db2.gz WMOPWFRXSVXLLZ-UHFFFAOYSA-N 1 1 351.450 3.355 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC000530106164 503839212 /nfs/dbraw/zinc/83/92/12/503839212.db2.gz WMOPWFRXSVXLLZ-UHFFFAOYSA-N 1 1 351.450 3.355 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000530335468 503929854 /nfs/dbraw/zinc/92/98/54/503929854.db2.gz UKQVAUQXDIYRFG-DYESRHJHSA-N 1 1 351.494 3.307 20 30 FGEDMO COC(=O)c1cccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1C#N ZINC000533761095 503944918 /nfs/dbraw/zinc/94/49/18/503944918.db2.gz KYKLLIBCUSRBQI-IBGZPJMESA-N 1 1 364.445 3.178 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c1C#N ZINC000533761095 503944921 /nfs/dbraw/zinc/94/49/21/503944921.db2.gz KYKLLIBCUSRBQI-IBGZPJMESA-N 1 1 364.445 3.178 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@H](COc3ccccc3)C2)C1=O ZINC000540944219 503948293 /nfs/dbraw/zinc/94/82/93/503948293.db2.gz PJHUKVKDVPZHGJ-YJBOKZPZSA-N 1 1 367.474 3.126 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@H](COc3ccccc3)C2)C1=O ZINC000540944219 503948300 /nfs/dbraw/zinc/94/83/00/503948300.db2.gz PJHUKVKDVPZHGJ-YJBOKZPZSA-N 1 1 367.474 3.126 20 30 FGEDMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(CC#N)CC1 ZINC000540992969 503967842 /nfs/dbraw/zinc/96/78/42/503967842.db2.gz DHWKOEZVNKTOJT-UHFFFAOYSA-N 1 1 352.438 3.175 20 30 FGEDMO N#Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000527844052 503969772 /nfs/dbraw/zinc/96/97/72/503969772.db2.gz HEBAVQLDCZFEFK-LJQANCHMSA-N 1 1 353.853 3.492 20 30 FGEDMO N#Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000527844052 503969776 /nfs/dbraw/zinc/96/97/76/503969776.db2.gz HEBAVQLDCZFEFK-LJQANCHMSA-N 1 1 353.853 3.492 20 30 FGEDMO C=CC[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629273 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C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000519857648 504366385 /nfs/dbraw/zinc/36/63/85/504366385.db2.gz FKFDQMLSGMLEHN-OAHLLOKOSA-N 1 1 365.437 3.209 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000519903213 504378856 /nfs/dbraw/zinc/37/88/56/504378856.db2.gz IQDUVAHXTOKXAI-UHFFFAOYSA-N 1 1 353.853 3.492 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000519903213 504378860 /nfs/dbraw/zinc/37/88/60/504378860.db2.gz IQDUVAHXTOKXAI-UHFFFAOYSA-N 1 1 353.853 3.492 20 30 FGEDMO CC[C@H](Nc1nccc(C)c1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000542210539 504408552 /nfs/dbraw/zinc/40/85/52/504408552.db2.gz BXRXQVNBAQUOHV-PMACEKPBSA-N 1 1 350.466 3.353 20 30 FGEDMO CC[C@H](Nc1nccc(C)c1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000542210539 504408555 /nfs/dbraw/zinc/40/85/55/504408555.db2.gz BXRXQVNBAQUOHV-PMACEKPBSA-N 1 1 350.466 3.353 20 30 FGEDMO C[C@@H]1[C@H](C)N(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000538922815 504418672 /nfs/dbraw/zinc/41/86/72/504418672.db2.gz IHVNDNYHYXOECC-SJORKVTESA-N 1 1 363.461 3.302 20 30 FGEDMO N#CCCCNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000542251302 504423167 /nfs/dbraw/zinc/42/31/67/504423167.db2.gz YPZGSASTQKQTKU-SFHVURJKSA-N 1 1 368.506 3.450 20 30 FGEDMO N#CCCCNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000542251302 504423173 /nfs/dbraw/zinc/42/31/73/504423173.db2.gz YPZGSASTQKQTKU-SFHVURJKSA-N 1 1 368.506 3.450 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000535394957 504423397 /nfs/dbraw/zinc/42/33/97/504423397.db2.gz YDKZVNVJQYMERZ-INIZCTEOSA-N 1 1 374.448 3.292 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[NH+]3CCC(Cc4cccnc4)CC3)o2)c1 ZINC000538942850 504424113 /nfs/dbraw/zinc/42/41/13/504424113.db2.gz HGMVBOWVCUBEQP-UHFFFAOYSA-N 1 1 359.433 3.458 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1ccccc1O ZINC000542317935 504448942 /nfs/dbraw/zinc/44/89/42/504448942.db2.gz JDQCQSSLLORWJV-UHFFFAOYSA-N 1 1 357.841 3.420 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000520422152 504494922 /nfs/dbraw/zinc/49/49/22/504494922.db2.gz MKPVXCIXHGRHJX-MJQMVNBJSA-N 1 1 355.482 3.189 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000532097873 504533649 /nfs/dbraw/zinc/53/36/49/504533649.db2.gz XJJGTLBXFSTKRI-LSDHHAIUSA-N 1 1 365.880 3.494 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000532097873 504533643 /nfs/dbraw/zinc/53/36/43/504533643.db2.gz XJJGTLBXFSTKRI-LSDHHAIUSA-N 1 1 365.880 3.494 20 30 FGEDMO Cc1cc(Cl)cc(C)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000535821075 504555769 /nfs/dbraw/zinc/55/57/69/504555769.db2.gz JTYHORZQCARCCS-OAHLLOKOSA-N 1 1 355.873 3.329 20 30 FGEDMO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000535821075 504555774 /nfs/dbraw/zinc/55/57/74/504555774.db2.gz JTYHORZQCARCCS-OAHLLOKOSA-N 1 1 355.873 3.329 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000520693157 504557992 /nfs/dbraw/zinc/55/79/92/504557992.db2.gz WRFCZHNIPBCPDQ-UHFFFAOYSA-N 1 1 368.502 3.187 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](Cc2ccc(OC)cc2OC)[C@H](C)C2CC2)C1=O ZINC000548944582 504631722 /nfs/dbraw/zinc/63/17/22/504631722.db2.gz BURPXUBAYPIXJV-DNVCBOLYSA-N 1 1 358.482 3.091 20 30 FGEDMO COc1ccc2cc(C[N@H+](C)CC(=O)NCc3cccc(C#N)c3)ccc2c1 ZINC000521194982 504674859 /nfs/dbraw/zinc/67/48/59/504674859.db2.gz IPGQHRDLWGGNQK-UHFFFAOYSA-N 1 1 373.456 3.468 20 30 FGEDMO COc1ccc2cc(C[N@@H+](C)CC(=O)NCc3cccc(C#N)c3)ccc2c1 ZINC000521194982 504674864 /nfs/dbraw/zinc/67/48/64/504674864.db2.gz IPGQHRDLWGGNQK-UHFFFAOYSA-N 1 1 373.456 3.468 20 30 FGEDMO N#Cc1ccc(OC2CC[NH+](CC[S@](=O)c3ccccc3)CC2)cc1 ZINC000521287207 504701209 /nfs/dbraw/zinc/70/12/09/504701209.db2.gz NOPNAUMIZIONNG-VWLOTQADSA-N 1 1 354.475 3.209 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000536347505 504706406 /nfs/dbraw/zinc/70/64/06/504706406.db2.gz DWFICMBNPUFDAK-NRFANRHFSA-N 1 1 367.489 3.264 20 30 FGEDMO 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/nfs/dbraw/zinc/64/95/52/506649552.db2.gz KYOTVTSAKJIKEU-UHFFFAOYSA-N 1 1 367.518 3.082 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000603890105 506649959 /nfs/dbraw/zinc/64/99/59/506649959.db2.gz PTKZGPMMJSQBDG-UTKZUKDTSA-N 1 1 352.482 3.402 20 30 FGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)C1CC1 ZINC000603890092 506650089 /nfs/dbraw/zinc/65/00/89/506650089.db2.gz OZPBHPNMYZHMIH-IIBYNOLFSA-N 1 1 350.466 3.156 20 30 FGEDMO CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596912421 506672867 /nfs/dbraw/zinc/67/28/67/506672867.db2.gz OQKLHYVQTGGIST-IBGZPJMESA-N 1 1 368.525 3.480 20 30 FGEDMO Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2)n1 ZINC000590005111 506703358 /nfs/dbraw/zinc/70/33/58/506703358.db2.gz QISLANLOESPTMS-NRFANRHFSA-N 1 1 373.460 3.409 20 30 FGEDMO C[N@H+]1C[C@H](C(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](c2ccccc2)C1 ZINC000599906633 506704311 /nfs/dbraw/zinc/70/43/11/506704311.db2.gz FVCLKLVRQZAQAQ-MSOLQXFVSA-N 1 1 353.853 3.173 20 30 FGEDMO COC[C@@H](C)Oc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000596983298 506712526 /nfs/dbraw/zinc/71/25/26/506712526.db2.gz UOFBSDJKDFRJHW-GOSISDBHSA-N 1 1 365.477 3.294 20 30 FGEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H](C)C1 ZINC000590049695 506715360 /nfs/dbraw/zinc/71/53/60/506715360.db2.gz SLBDBBXIKCNKBJ-DOXZYTNZSA-N 1 1 364.449 3.016 20 30 FGEDMO N#CC[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000600091965 506772225 /nfs/dbraw/zinc/77/22/25/506772225.db2.gz AAPYKCQDTONVEZ-HLAWJBBLSA-N 1 1 351.494 3.297 20 30 FGEDMO CCOC(=O)c1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000600116878 506785224 /nfs/dbraw/zinc/78/52/24/506785224.db2.gz FYUGEBCRNUGGOX-UHFFFAOYSA-N 1 1 365.433 3.173 20 30 FGEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H](Cn4ccnn4)C3)c2)c1 ZINC000597176895 506814290 /nfs/dbraw/zinc/81/42/90/506814290.db2.gz XTGQSBOUZJLYPU-NRFANRHFSA-N 1 1 373.460 3.251 20 30 FGEDMO Cc1n[nH]c(C(C)C)c1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593886589 506821071 /nfs/dbraw/zinc/82/10/71/506821071.db2.gz RXWDYSAYYMUROA-UHFFFAOYSA-N 1 1 365.481 3.108 20 30 FGEDMO Cn1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(-c2ccccc2)n1 ZINC000597184357 506821592 /nfs/dbraw/zinc/82/15/92/506821592.db2.gz SLMBNIKJFPTHGA-UHFFFAOYSA-N 1 1 363.490 3.342 20 30 FGEDMO CO[C@@]1(CO)CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597186712 506823400 /nfs/dbraw/zinc/82/34/00/506823400.db2.gz HGFJTTKMXHHXPJ-QFIPXVFZSA-N 1 1 366.461 3.111 20 30 FGEDMO CN1C[C@@H]([N@@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)CCC1=O ZINC000600178615 506824679 /nfs/dbraw/zinc/82/46/79/506824679.db2.gz MHSMBKPNGARQNF-FQEVSTJZSA-N 1 1 363.461 3.190 20 30 FGEDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000604458162 506837672 /nfs/dbraw/zinc/83/76/72/506837672.db2.gz DJSCGNAJZVGZSJ-OAHLLOKOSA-N 1 1 360.417 3.136 20 30 FGEDMO Cc1ccccc1OCCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000604473323 506840343 /nfs/dbraw/zinc/84/03/43/506840343.db2.gz OJNNOINVPSXWED-UHFFFAOYSA-N 1 1 366.465 3.323 20 30 FGEDMO COc1ccc(C(C)C)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000593946943 506841671 /nfs/dbraw/zinc/84/16/71/506841671.db2.gz DLUPUMOXAAURJE-UHFFFAOYSA-N 1 1 350.466 3.407 20 30 FGEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(OCC(F)(F)F)nn2)C2CC2)cc1 ZINC000593953819 506846263 /nfs/dbraw/zinc/84/62/63/506846263.db2.gz RCQGIHQPKCQXBR-UHFFFAOYSA-N 1 1 362.355 3.454 20 30 FGEDMO N#Cc1ccc(C[N@H+](Cc2ccc(OCC(F)(F)F)nn2)C2CC2)cc1 ZINC000593953819 506846269 /nfs/dbraw/zinc/84/62/69/506846269.db2.gz RCQGIHQPKCQXBR-UHFFFAOYSA-N 1 1 362.355 3.454 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000604492960 506850033 /nfs/dbraw/zinc/85/00/33/506850033.db2.gz NKSILVDKLQRRLH-UHFFFAOYSA-N 1 1 351.450 3.095 20 30 FGEDMO COC[C@]1(C)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000600213893 506850277 /nfs/dbraw/zinc/85/02/77/506850277.db2.gz QVDQFWQUAIDVSW-QFIPXVFZSA-N 1 1 366.461 3.375 20 30 FGEDMO COC[C@]1(C)C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000600213893 506850283 /nfs/dbraw/zinc/85/02/83/506850283.db2.gz QVDQFWQUAIDVSW-QFIPXVFZSA-N 1 1 366.461 3.375 20 30 FGEDMO Cc1ccccc1C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CC1 ZINC000604501254 506853022 /nfs/dbraw/zinc/85/30/22/506853022.db2.gz MDXVPOGOSKMRCI-NRFANRHFSA-N 1 1 350.462 3.465 20 30 FGEDMO C[C@@H]1C[C@@H](N(C)C(=O)CC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000597278750 506875734 /nfs/dbraw/zinc/87/57/34/506875734.db2.gz SEYMXHJPHJSXGQ-QUCCMNQESA-N 1 1 369.509 3.208 20 30 FGEDMO C=CC[N@H+](CCOc1ccc(C#N)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431523 506880414 /nfs/dbraw/zinc/88/04/14/506880414.db2.gz BWDRRJJEMHPQLH-KRWDZBQOSA-N 1 1 374.448 3.162 20 30 FGEDMO CC(C)[C@H](C#N)N1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000609486048 506896631 /nfs/dbraw/zinc/89/66/31/506896631.db2.gz CDDFOLKMSMBZJD-KRWDZBQOSA-N 1 1 355.404 3.250 20 30 FGEDMO N#Cc1ccncc1N1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000590654513 506897763 /nfs/dbraw/zinc/89/77/63/506897763.db2.gz VBTICKQSVWQBCS-UHFFFAOYSA-N 1 1 353.813 3.070 20 30 FGEDMO C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1C ZINC000609500677 506901212 /nfs/dbraw/zinc/90/12/12/506901212.db2.gz JVUKQOMWESXUMU-ROUUACIJSA-N 1 1 357.498 3.486 20 30 FGEDMO CC(C)(C)OC(=O)C[N@H+](CCC(=O)Nc1sccc1C#N)C1CCC1 ZINC000594051977 506909626 /nfs/dbraw/zinc/90/96/26/506909626.db2.gz XBMUNIRYDJQVDB-UHFFFAOYSA-N 1 1 363.483 3.145 20 30 FGEDMO CC(C)(C)OC(=O)C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCC1 ZINC000594051977 506909629 /nfs/dbraw/zinc/90/96/29/506909629.db2.gz XBMUNIRYDJQVDB-UHFFFAOYSA-N 1 1 363.483 3.145 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000609541519 506916583 /nfs/dbraw/zinc/91/65/83/506916583.db2.gz YSXCOZUAEMTFST-GOSISDBHSA-N 1 1 353.853 3.317 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2COc2ccccc2)cc1 ZINC000590749767 506936306 /nfs/dbraw/zinc/93/63/06/506936306.db2.gz SJOXFMXMGNIFBI-VQTJNVASSA-N 1 1 366.461 3.036 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1C#N ZINC000600473243 506962991 /nfs/dbraw/zinc/96/29/91/506962991.db2.gz UVPLTFSXXMUBAU-HNNXBMFYSA-N 1 1 370.522 3.299 20 30 FGEDMO C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000613213059 506975600 /nfs/dbraw/zinc/97/56/00/506975600.db2.gz NSJFHCFWJHGYBD-XGHQBKJUSA-N 1 1 362.477 3.439 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000609744347 506988053 /nfs/dbraw/zinc/98/80/53/506988053.db2.gz DHOIGAFPLNCCNJ-NRFANRHFSA-N 1 1 368.452 3.339 20 30 FGEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCSc2ccccc2)CC1 ZINC000609798196 507003850 /nfs/dbraw/zinc/00/38/50/507003850.db2.gz HXUNEHZXRKQUFF-UHFFFAOYSA-N 1 1 354.479 3.338 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594230354 507025668 /nfs/dbraw/zinc/02/56/68/507025668.db2.gz HVQKJFBXXKOBHS-VGSWGCGISA-N 1 1 374.488 3.494 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000594242967 507036754 /nfs/dbraw/zinc/03/67/54/507036754.db2.gz GXAZRVMQNJJRGN-KKSFZXQISA-N 1 1 360.461 3.246 20 30 FGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CSc1ccc(C#N)cc1 ZINC000609908974 507047024 /nfs/dbraw/zinc/04/70/24/507047024.db2.gz JDQUULSGXVDXOY-KRWDZBQOSA-N 1 1 365.502 3.383 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CSc1ccc(C#N)cc1 ZINC000609908974 507047031 /nfs/dbraw/zinc/04/70/31/507047031.db2.gz JDQUULSGXVDXOY-KRWDZBQOSA-N 1 1 365.502 3.383 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594283784 507061773 /nfs/dbraw/zinc/06/17/73/507061773.db2.gz SYVFBXNCVAYKHI-RTBURBONSA-N 1 1 372.469 3.309 20 30 FGEDMO CC(C)(C#N)c1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000590962244 507063149 /nfs/dbraw/zinc/06/31/49/507063149.db2.gz PHBCZZPHOORMRB-UHFFFAOYSA-N 1 1 365.437 3.113 20 30 FGEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610013009 507071764 /nfs/dbraw/zinc/07/17/64/507071764.db2.gz QAXMTRNAKUCRNI-KXBFYZLASA-N 1 1 354.425 3.251 20 30 FGEDMO COc1cc(C[N@@H+](CCCO)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000610133021 507110727 /nfs/dbraw/zinc/11/07/27/507110727.db2.gz WNYVKBBEUADKNE-UHFFFAOYSA-N 1 1 366.461 3.493 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597854426 507135510 /nfs/dbraw/zinc/13/55/10/507135510.db2.gz HQEGOMGGOZIAFP-LPHOPBHVSA-N 1 1 357.498 3.198 20 30 FGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C12CCCCC2 ZINC000610215815 507143544 /nfs/dbraw/zinc/14/35/44/507143544.db2.gz FYYYVPVUKPSTKX-PMACEKPBSA-N 1 1 369.509 3.234 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610322995 507194788 /nfs/dbraw/zinc/19/47/88/507194788.db2.gz COGHIDJSIMIEPD-SFHVURJKSA-N 1 1 364.449 3.305 20 30 FGEDMO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000610342242 507201784 /nfs/dbraw/zinc/20/17/84/507201784.db2.gz ANQPCOKOVVAQGE-TZMCWYRMSA-N 1 1 358.417 3.417 20 30 FGEDMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000610344049 507202215 /nfs/dbraw/zinc/20/22/15/507202215.db2.gz ZIQHMDNHADRAAD-BZNIZROVSA-N 1 1 358.239 3.198 20 30 FGEDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3cc(C#N)ccn3)sc2c1)C1CC1 ZINC000598027953 507224780 /nfs/dbraw/zinc/22/47/80/507224780.db2.gz LNWZOUKHXZDRME-UHFFFAOYSA-N 1 1 363.446 3.409 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000610451273 507244853 /nfs/dbraw/zinc/24/48/53/507244853.db2.gz MBUMWJXITNBMJK-DXIQSLLYSA-N 1 1 370.541 3.026 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000610451755 507245918 /nfs/dbraw/zinc/24/59/18/507245918.db2.gz HKTKDAITAQJKIQ-GOSISDBHSA-N 1 1 362.477 3.093 20 30 FGEDMO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000594919566 507315773 /nfs/dbraw/zinc/31/57/73/507315773.db2.gz BNAPEXCSIOFFRG-NQIIRXRSSA-N 1 1 355.526 3.468 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NCc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000594919566 507315777 /nfs/dbraw/zinc/31/57/77/507315777.db2.gz BNAPEXCSIOFFRG-NQIIRXRSSA-N 1 1 355.526 3.468 20 30 FGEDMO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000594919566 507315781 /nfs/dbraw/zinc/31/57/81/507315781.db2.gz BNAPEXCSIOFFRG-NQIIRXRSSA-N 1 1 355.526 3.468 20 30 FGEDMO CCCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000584442192 507346399 /nfs/dbraw/zinc/34/63/99/507346399.db2.gz YVLSILPCNJFGBE-OAHLLOKOSA-N 1 1 374.428 3.366 20 30 FGEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000584442192 507346402 /nfs/dbraw/zinc/34/64/02/507346402.db2.gz YVLSILPCNJFGBE-OAHLLOKOSA-N 1 1 374.428 3.366 20 30 FGEDMO COc1ccc2ncc(C#N)c(N3CC[NH+](Cc4cccs4)CC3)c2c1 ZINC000591889009 507397041 /nfs/dbraw/zinc/39/70/41/507397041.db2.gz LVWVIYPPUIXUGB-UHFFFAOYSA-N 1 1 364.474 3.499 20 30 FGEDMO Cc1[nH]c2nc[nH+]c(N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2c1C ZINC000591928709 507414895 /nfs/dbraw/zinc/41/48/95/507414895.db2.gz BLHKVFGHELZTFO-INIZCTEOSA-N 1 1 360.421 3.054 20 30 FGEDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000598464817 507436322 /nfs/dbraw/zinc/43/63/22/507436322.db2.gz IGZLPHZEZYDBGQ-UHFFFAOYSA-N 1 1 366.303 3.100 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595324494 507460197 /nfs/dbraw/zinc/46/01/97/507460197.db2.gz AMBUDDUFEHSZFV-KRWDZBQOSA-N 1 1 367.415 3.224 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H](F)C3)CC2)cc1 ZINC000584717718 507469155 /nfs/dbraw/zinc/46/91/55/507469155.db2.gz DOTMBKCATJJRLL-RBUKOAKNSA-N 1 1 358.461 3.056 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)cc2)C[C@H](C)O1 ZINC000601817859 507470116 /nfs/dbraw/zinc/47/01/16/507470116.db2.gz GTXBNETZSPWFRI-WOUAJJJCSA-N 1 1 355.482 3.060 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)cc2)C[C@H](C)O1 ZINC000601817859 507470119 /nfs/dbraw/zinc/47/01/19/507470119.db2.gz GTXBNETZSPWFRI-WOUAJJJCSA-N 1 1 355.482 3.060 20 30 FGEDMO N#CCCOCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000584733774 507474927 /nfs/dbraw/zinc/47/49/27/507474927.db2.gz SXPUEPPAXDVBFT-HNNXBMFYSA-N 1 1 360.845 3.500 20 30 FGEDMO C=CCC1(C(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)CCOCC1 ZINC000614386325 507491776 /nfs/dbraw/zinc/49/17/76/507491776.db2.gz DIGCAMOIOJURRS-UHFFFAOYSA-N 1 1 366.889 3.076 20 30 FGEDMO C=CCC1(C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)CCOCC1 ZINC000614386325 507491784 /nfs/dbraw/zinc/49/17/84/507491784.db2.gz DIGCAMOIOJURRS-UHFFFAOYSA-N 1 1 366.889 3.076 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccc(C)nc2)CC2CC2)c(C#N)c1C ZINC000592145593 507506907 /nfs/dbraw/zinc/50/69/07/507506907.db2.gz XHEOVKCHROMJPW-UHFFFAOYSA-N 1 1 352.438 3.322 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+](Cc2ccc(C)nc2)CC2CC2)c(C#N)c1C ZINC000592145593 507506909 /nfs/dbraw/zinc/50/69/09/507506909.db2.gz XHEOVKCHROMJPW-UHFFFAOYSA-N 1 1 352.438 3.322 20 30 FGEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000598587018 507508769 /nfs/dbraw/zinc/50/87/69/507508769.db2.gz LRNWVYJGMDMNPK-RLCCDNCMSA-N 1 1 357.281 3.184 20 30 FGEDMO Cn1nc(CCC[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)cc1-c1ccc(F)cc1 ZINC000598589197 507508959 /nfs/dbraw/zinc/50/89/59/507508959.db2.gz FKYKEWJDOCIIRX-IBGZPJMESA-N 1 1 372.488 3.391 20 30 FGEDMO CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592154113 507510602 /nfs/dbraw/zinc/51/06/02/507510602.db2.gz PJCVFHHAIKOIPD-IRLDBZIGSA-N 1 1 370.541 3.026 20 30 FGEDMO CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592154113 507510606 /nfs/dbraw/zinc/51/06/06/507510606.db2.gz PJCVFHHAIKOIPD-IRLDBZIGSA-N 1 1 370.541 3.026 20 30 FGEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592154113 507510611 /nfs/dbraw/zinc/51/06/11/507510611.db2.gz PJCVFHHAIKOIPD-IRLDBZIGSA-N 1 1 370.541 3.026 20 30 FGEDMO N#CC[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000595479846 507520994 /nfs/dbraw/zinc/52/09/94/507520994.db2.gz NRYXASIPAUWGHB-DLBZAZTESA-N 1 1 360.527 3.295 20 30 FGEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000584846957 507538873 /nfs/dbraw/zinc/53/88/73/507538873.db2.gz OQUWOWPOQDNNQR-FQEVSTJZSA-N 1 1 355.482 3.191 20 30 FGEDMO CC(C)[NH+]1CCN(C2CCN(c3cc(C#N)nc4ccccc43)CC2)CC1 ZINC000611166151 507542193 /nfs/dbraw/zinc/54/21/93/507542193.db2.gz SECAELXXSGUCHN-UHFFFAOYSA-N 1 1 363.509 3.101 20 30 FGEDMO CC[N@H+]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H](C)C1 ZINC000595535420 507547266 /nfs/dbraw/zinc/54/72/66/507547266.db2.gz OGUMWQLZNJDYPM-MRXNPFEDSA-N 1 1 362.905 3.003 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595532763 507547300 /nfs/dbraw/zinc/54/73/00/507547300.db2.gz AVFCQNGVGHDEGF-HNNXBMFYSA-N 1 1 373.522 3.399 20 30 FGEDMO N#Cc1ccc(CCN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000595557399 507558964 /nfs/dbraw/zinc/55/89/64/507558964.db2.gz IEOYNNUCTLSJJL-GOTSBHOMSA-N 1 1 361.489 3.076 20 30 FGEDMO CC(C)[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000614574657 507567891 /nfs/dbraw/zinc/56/78/91/507567891.db2.gz WVEDJFHMICFRTG-HNNXBMFYSA-N 1 1 365.441 3.143 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H](CC#N)C1 ZINC000595582069 507573883 /nfs/dbraw/zinc/57/38/83/507573883.db2.gz DXFHIBWLVAKXJU-WOJBJXKFSA-N 1 1 356.514 3.478 20 30 FGEDMO Cn1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000611253355 507582711 /nfs/dbraw/zinc/58/27/11/507582711.db2.gz RSMVJSAABPYDQS-UHFFFAOYSA-N 1 1 359.477 3.153 20 30 FGEDMO N#Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000595603596 507586597 /nfs/dbraw/zinc/58/65/97/507586597.db2.gz ZFBBQWIZXDRLHO-INIZCTEOSA-N 1 1 360.889 3.133 20 30 FGEDMO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614639 507591125 /nfs/dbraw/zinc/59/11/25/507591125.db2.gz LWHBFMWDMCVVPT-KGLIPLIRSA-N 1 1 351.853 3.452 20 30 FGEDMO C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614639 507591129 /nfs/dbraw/zinc/59/11/29/507591129.db2.gz LWHBFMWDMCVVPT-KGLIPLIRSA-N 1 1 351.853 3.452 20 30 FGEDMO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629932 507602837 /nfs/dbraw/zinc/60/28/37/507602837.db2.gz AIPQYSRUXWNZCT-UHFFFAOYSA-N 1 1 354.479 3.079 20 30 FGEDMO CC1(C)C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CCc2ccccc21 ZINC000595635495 507606195 /nfs/dbraw/zinc/60/61/95/507606195.db2.gz VMMOBWHNIYBWAK-UHFFFAOYSA-N 1 1 368.502 3.168 20 30 FGEDMO CC1(C)C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CCc2ccccc21 ZINC000595635495 507606202 /nfs/dbraw/zinc/60/62/02/507606202.db2.gz VMMOBWHNIYBWAK-UHFFFAOYSA-N 1 1 368.502 3.168 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000585756289 507617199 /nfs/dbraw/zinc/61/71/99/507617199.db2.gz RHTXCFXMESNGBJ-SIKLNZKXSA-N 1 1 369.509 3.441 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000611392982 507658994 /nfs/dbraw/zinc/65/89/94/507658994.db2.gz AKBHMMGASWHQOW-DHIUTWEWSA-N 1 1 361.489 3.162 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000611392982 507659003 /nfs/dbraw/zinc/65/90/03/507659003.db2.gz AKBHMMGASWHQOW-DHIUTWEWSA-N 1 1 361.489 3.162 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000611392982 507659012 /nfs/dbraw/zinc/65/90/12/507659012.db2.gz AKBHMMGASWHQOW-DHIUTWEWSA-N 1 1 361.489 3.162 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000611392982 507659020 /nfs/dbraw/zinc/65/90/20/507659020.db2.gz AKBHMMGASWHQOW-DHIUTWEWSA-N 1 1 361.489 3.162 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC2(CCC2)CC1 ZINC000586783095 507670093 /nfs/dbraw/zinc/67/00/93/507670093.db2.gz WNOHJDWUPJMEJX-UHFFFAOYSA-N 1 1 372.513 3.218 20 30 FGEDMO N#Cc1cccc(C2([NH2+]Cc3nc4ccccc4c(=O)[nH]3)CCOCC2)c1 ZINC000595765995 507673905 /nfs/dbraw/zinc/67/39/05/507673905.db2.gz ZPMAQBNCLJABLB-UHFFFAOYSA-N 1 1 360.417 3.003 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCC3CCC3)CC2)cc1 ZINC000595780871 507680954 /nfs/dbraw/zinc/68/09/54/507680954.db2.gz JHAMBCPMNQIQAW-UHFFFAOYSA-N 1 1 354.498 3.356 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000611483685 507701902 /nfs/dbraw/zinc/70/19/02/507701902.db2.gz BNJZYCSHCDALMS-FQEVSTJZSA-N 1 1 350.466 3.443 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@](C)(C#N)C3)sc2C1 ZINC000595840482 507710112 /nfs/dbraw/zinc/71/01/12/507710112.db2.gz OKSURNJFIIHBJU-BFUOFWGJSA-N 1 1 356.495 3.309 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@](C)(C#N)C3)sc2C1 ZINC000595840482 507710116 /nfs/dbraw/zinc/71/01/16/507710116.db2.gz OKSURNJFIIHBJU-BFUOFWGJSA-N 1 1 356.495 3.309 20 30 FGEDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3cccc(C#N)n3)C2)cc(OC)c1 ZINC000602479453 507720230 /nfs/dbraw/zinc/72/02/30/507720230.db2.gz LPCBNKYVNFQLTE-QGZVFWFLSA-N 1 1 352.438 3.047 20 30 FGEDMO CCC[N@H+](C)CC(C)(C)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595874634 507721856 /nfs/dbraw/zinc/72/18/56/507721856.db2.gz XDCALWPDPZQVNW-UHFFFAOYSA-N 1 1 350.894 3.250 20 30 FGEDMO CCC[N@@H+](C)CC(C)(C)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595874634 507721863 /nfs/dbraw/zinc/72/18/63/507721863.db2.gz XDCALWPDPZQVNW-UHFFFAOYSA-N 1 1 350.894 3.250 20 30 FGEDMO CCc1nc(C[NH+]2CCC(CNc3cc(C#N)cc(C)n3)CC2)cs1 ZINC000587975272 507722850 /nfs/dbraw/zinc/72/28/50/507722850.db2.gz UQYKGQPAQPPHKC-UHFFFAOYSA-N 1 1 355.511 3.027 20 30 FGEDMO CC[N@H+](CCOc1ccccc1OC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000595876386 507723327 /nfs/dbraw/zinc/72/33/27/507723327.db2.gz BLMYJQQCPRIHMF-MRXNPFEDSA-N 1 1 367.449 3.295 20 30 FGEDMO CC[N@@H+](CCOc1ccccc1OC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000595876386 507723334 /nfs/dbraw/zinc/72/33/34/507723334.db2.gz BLMYJQQCPRIHMF-MRXNPFEDSA-N 1 1 367.449 3.295 20 30 FGEDMO N#Cc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(C(F)(F)F)c1 ZINC000595894622 507732511 /nfs/dbraw/zinc/73/25/11/507732511.db2.gz XRWZIPCNKPBKKC-QZTJIDSGSA-N 1 1 367.415 3.295 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1Cl ZINC000595907649 507736995 /nfs/dbraw/zinc/73/69/95/507736995.db2.gz CJPOECCGENYZJS-KDURUIRLSA-N 1 1 359.857 3.043 20 30 FGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611555303 507737660 /nfs/dbraw/zinc/73/76/60/507737660.db2.gz WDUZVJUHIWYZRS-VNQPRFMTSA-N 1 1 356.388 3.155 20 30 FGEDMO C[N@@H+]1CCC[C@H](C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000830928501 600753965 /nfs/dbraw/zinc/75/39/65/600753965.db2.gz NQIKKOCWSUSXKD-NZSAHSFTSA-N 1 1 369.490 3.418 20 30 FGEDMO C[N@H+]1CCC[C@H](C[NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000830928501 600753966 /nfs/dbraw/zinc/75/39/66/600753966.db2.gz NQIKKOCWSUSXKD-NZSAHSFTSA-N 1 1 369.490 3.418 20 30 FGEDMO N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000833073433 601318393 /nfs/dbraw/zinc/31/83/93/601318393.db2.gz BMMPQEMUVAVODH-QUCCMNQESA-N 1 1 355.482 3.272 20 30 FGEDMO N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000833073433 601318396 /nfs/dbraw/zinc/31/83/96/601318396.db2.gz BMMPQEMUVAVODH-QUCCMNQESA-N 1 1 355.482 3.272 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822477095 606339945 /nfs/dbraw/zinc/33/99/45/606339945.db2.gz GGGZPUIURBECLQ-NYYWCZLTSA-N 1 1 356.389 3.257 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(C(=O)C=Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000822478570 606340189 /nfs/dbraw/zinc/34/01/89/606340189.db2.gz ULPAJNKUDSCGFI-BJMVGYQFSA-N 1 1 356.389 3.257 20 30 FGEDMO C=CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914190 608631134 /nfs/dbraw/zinc/63/11/34/608631134.db2.gz CXINGAWIYIDJNG-UHFFFAOYSA-N 1 1 351.458 3.076 20 30 FGEDMO C=CC[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914190 608631135 /nfs/dbraw/zinc/63/11/35/608631135.db2.gz CXINGAWIYIDJNG-UHFFFAOYSA-N 1 1 351.458 3.076 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000826379748 608748980 /nfs/dbraw/zinc/74/89/80/608748980.db2.gz ADSNZOLPSWQCKZ-SJORKVTESA-N 1 1 350.451 3.200 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000826379748 608748984 /nfs/dbraw/zinc/74/89/84/608748984.db2.gz ADSNZOLPSWQCKZ-SJORKVTESA-N 1 1 350.451 3.200 20 30 FGEDMO CC1CC[NH+](CC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000543928923 673678592 /nfs/dbraw/zinc/67/85/92/673678592.db2.gz HGUMPNDIPPCFEY-UHFFFAOYSA-N 1 1 357.845 3.068 20 30 FGEDMO C#CCOc1ccc(Br)cc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000078911225 700290773 /nfs/dbraw/zinc/29/07/73/700290773.db2.gz YMLRIEASLIQQKZ-AWEZNQCLSA-N 1 1 363.299 3.035 20 30 FGEDMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1cccnc1Cl ZINC000112970590 700566494 /nfs/dbraw/zinc/56/64/94/700566494.db2.gz DRTBBGZATGHITN-LLVKDONJSA-N 1 1 356.854 3.027 20 30 FGEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2c(C)nn(C)c2Cl)ccc1OC ZINC000113347594 700571134 /nfs/dbraw/zinc/57/11/34/700571134.db2.gz PVENTTUNZXWSIL-CQSZACIVSA-N 1 1 362.861 3.361 20 30 FGEDMO CN1CC[C@H](CNC(=[NH2+])NC2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262049694 713717880 /nfs/dbraw/zinc/71/78/80/713717880.db2.gz VOAMXVHIJMLHNZ-CXAGYDPISA-N 1 1 352.885 3.319 20 30 FGEDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)nnn1-c1ccccc1Cl ZINC000329383361 713829382 /nfs/dbraw/zinc/82/93/82/713829382.db2.gz ONYPQIOFMPSDIH-CYBMUJFWSA-N 1 1 359.861 3.018 20 30 FGEDMO Cc1nc(C2CCCC2)sc1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000329606876 713830992 /nfs/dbraw/zinc/83/09/92/713830992.db2.gz IERFBEVVVWSCTL-CYBMUJFWSA-N 1 1 351.516 3.382 20 30 FGEDMO O=C(C[N@@H+]1CCC[C@H](C2CC2)C1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000329675577 713831637 /nfs/dbraw/zinc/83/16/37/713831637.db2.gz VSHSLMLMDGHCHD-ZDUSSCGKSA-N 1 1 360.849 3.026 20 30 FGEDMO O=C(C[N@H+]1CCC[C@H](C2CC2)C1)Nc1cc(-n2cnnn2)ccc1Cl ZINC000329675577 713831642 /nfs/dbraw/zinc/83/16/42/713831642.db2.gz VSHSLMLMDGHCHD-ZDUSSCGKSA-N 1 1 360.849 3.026 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OCC2CC2)CC1 ZINC000374097612 713899399 /nfs/dbraw/zinc/89/93/99/713899399.db2.gz SDACMEOESXYZLM-ZDUSSCGKSA-N 1 1 361.873 3.430 20 30 FGEDMO C#CCOc1ccc(Br)cc1CNC[C@H](C)[NH+]1CCCCC1 ZINC000386957924 713985604 /nfs/dbraw/zinc/98/56/04/713985604.db2.gz VIGFTTZZRPESTN-HNNXBMFYSA-N 1 1 365.315 3.425 20 30 FGEDMO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCOCCC#N)CC1 ZINC000577739525 714468771 /nfs/dbraw/zinc/46/87/71/714468771.db2.gz RIWJYINJUNSHNI-OAHLLOKOSA-N 1 1 366.303 3.058 20 30 FGEDMO OC[C@@]1([N@H+](CC#Cc2ccccc2Cl)Cc2ccccc2)CCOC1 ZINC000625391723 715720806 /nfs/dbraw/zinc/72/08/06/715720806.db2.gz KGPVAFIXRFSLLS-NRFANRHFSA-N 1 1 355.865 3.345 20 30 FGEDMO OC[C@@]1([N@@H+](CC#Cc2ccccc2Cl)Cc2ccccc2)CCOC1 ZINC000625391723 715720811 /nfs/dbraw/zinc/72/08/11/715720811.db2.gz KGPVAFIXRFSLLS-NRFANRHFSA-N 1 1 355.865 3.345 20 30 FGEDMO C=CC[C@@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000625700516 715774999 /nfs/dbraw/zinc/77/49/99/715774999.db2.gz JNEAIILNESVKGR-CYBMUJFWSA-N 1 1 358.301 3.121 20 30 FGEDMO C=CC[C@@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000625700516 715775003 /nfs/dbraw/zinc/77/50/03/715775003.db2.gz JNEAIILNESVKGR-CYBMUJFWSA-N 1 1 358.301 3.121 20 30 FGEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625703448 715775825 /nfs/dbraw/zinc/77/58/25/715775825.db2.gz GYCJSHDJLVCUIW-IUODEOHRSA-N 1 1 369.328 3.306 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000779759145 724425377 /nfs/dbraw/zinc/42/53/77/724425377.db2.gz HWUYSNBPFVHTBQ-OCCSQVGLSA-N 1 1 364.481 3.433 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+](CCC)CC(=O)N(C)C)cc1OC ZINC000628152774 716116443 /nfs/dbraw/zinc/11/64/43/716116443.db2.gz OAZLCBVSBGEXAH-UHFFFAOYSA-N 1 1 354.878 3.214 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](CCC)CC(=O)N(C)C)cc1OC ZINC000628152774 716116446 /nfs/dbraw/zinc/11/64/46/716116446.db2.gz OAZLCBVSBGEXAH-UHFFFAOYSA-N 1 1 354.878 3.214 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+](C)[C@H]2CCN(CC=C)C2=O)cc1OC ZINC000628259282 716131347 /nfs/dbraw/zinc/13/13/47/716131347.db2.gz OAXORMIIIPSPNV-INIZCTEOSA-N 1 1 364.873 3.132 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CCN(CC=C)C2=O)cc1OC ZINC000628259282 716131350 /nfs/dbraw/zinc/13/13/50/716131350.db2.gz OAXORMIIIPSPNV-INIZCTEOSA-N 1 1 364.873 3.132 20 30 FGEDMO C=CC[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2F)n1 ZINC000639045164 717508401 /nfs/dbraw/zinc/50/84/01/717508401.db2.gz UDFXJPDQUPKKER-ZDUSSCGKSA-N 1 1 367.421 3.133 20 30 FGEDMO C=CCSc1ccccc1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000640522790 717758511 /nfs/dbraw/zinc/75/85/11/717758511.db2.gz VTCYWPVNTHDENB-QZTJIDSGSA-N 1 1 360.523 3.194 20 30 FGEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)ncc1C#N)CC2 ZINC001164649003 719307772 /nfs/dbraw/zinc/30/77/72/719307772.db2.gz STHDTVBAXUAJBO-UHFFFAOYSA-N 1 1 358.877 3.008 20 30 FGEDMO C=CCOc1ccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000657750209 719703810 /nfs/dbraw/zinc/70/38/10/719703810.db2.gz CYUWAJYEKWWELS-KRWDZBQOSA-N 1 1 350.890 3.248 20 30 FGEDMO N#Cc1cc(F)cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696092 719888261 /nfs/dbraw/zinc/88/82/61/719888261.db2.gz WTISYMRWSZLTEN-UHFFFAOYSA-N 1 1 372.469 3.025 20 30 FGEDMO COc1ccc(C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)cc1C#N ZINC000782161030 724633021 /nfs/dbraw/zinc/63/30/21/724633021.db2.gz XJMDQDKRTLYMDL-UHFFFAOYSA-N 1 1 358.751 3.262 20 30 FGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(C#N)cc1Cl)C2 ZINC001164815154 720198894 /nfs/dbraw/zinc/19/88/94/720198894.db2.gz WOAGGOPVGBQJDU-YLJYHZDGSA-N 1 1 374.916 3.100 20 30 FGEDMO C=CC[N@H+](CCCS(=O)(=O)c1ccc(NC(C)=O)cc1)C(C)(C)C ZINC000661756585 720315279 /nfs/dbraw/zinc/31/52/79/720315279.db2.gz RFPFCVOOGILLRV-UHFFFAOYSA-N 1 1 352.500 3.095 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000662086783 720373890 /nfs/dbraw/zinc/37/38/90/720373890.db2.gz YEMSJGIXOSPTLG-BETUJISGSA-N 1 1 350.846 3.479 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000662086783 720373893 /nfs/dbraw/zinc/37/38/93/720373893.db2.gz YEMSJGIXOSPTLG-BETUJISGSA-N 1 1 350.846 3.479 20 30 FGEDMO CC(C)c1ccc(C#N)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164789964 721393997 /nfs/dbraw/zinc/39/39/97/721393997.db2.gz VOIQCHCAQRINFZ-IYBDPMFKSA-N 1 1 353.495 3.101 20 30 FGEDMO CC(C)c1ccc(C#N)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164789964 721393998 /nfs/dbraw/zinc/39/39/98/721393998.db2.gz VOIQCHCAQRINFZ-IYBDPMFKSA-N 1 1 353.495 3.101 20 30 FGEDMO C=CCn1c(CCCc2cccs2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669804275 721487742 /nfs/dbraw/zinc/48/77/42/721487742.db2.gz IKBCXJFUPNULRX-INIZCTEOSA-N 1 1 359.543 3.231 20 30 FGEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)c1c(C)n[nH]c1C(F)(F)F)C(C)C ZINC000673741032 721671206 /nfs/dbraw/zinc/67/12/06/721671206.db2.gz PWRREQQYHAUGTI-CYBMUJFWSA-N 1 1 358.408 3.165 20 30 FGEDMO Cc1ccc(C#N)c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908382 721748573 /nfs/dbraw/zinc/74/85/73/721748573.db2.gz HDGSXHWYRFOYBD-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO Cc1ccc(C#N)c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908382 721748578 /nfs/dbraw/zinc/74/85/78/721748578.db2.gz HDGSXHWYRFOYBD-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(F)c3C#N)C[C@H]21 ZINC001165025942 721816321 /nfs/dbraw/zinc/81/63/21/721816321.db2.gz OJXCRBTVBKAAET-XFQXTVEOSA-N 1 1 365.456 3.224 20 30 FGEDMO Cc1cc(C#N)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024509 721828467 /nfs/dbraw/zinc/82/84/67/721828467.db2.gz KJBUZBMKGYPASX-TYPHKJRUSA-N 1 1 361.493 3.394 20 30 FGEDMO COc1cc(C#N)nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996755 722201304 /nfs/dbraw/zinc/20/13/04/722201304.db2.gz WLSXXSWRZXMHQC-OAQYLSRUSA-N 1 1 366.440 3.346 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H](O)C2CC2)cc1OC ZINC000685460862 722386122 /nfs/dbraw/zinc/38/61/22/722386122.db2.gz FSIXRKKQFXVRPY-HNNXBMFYSA-N 1 1 370.287 3.225 20 30 FGEDMO C#CCNC(=O)C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000729476179 722459845 /nfs/dbraw/zinc/45/98/45/722459845.db2.gz WZIUPRNLGOERKE-UHFFFAOYSA-N 1 1 354.372 3.079 20 30 FGEDMO C#CCNC(=O)C[N@H+](Cc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000729476179 722459846 /nfs/dbraw/zinc/45/98/46/722459846.db2.gz WZIUPRNLGOERKE-UHFFFAOYSA-N 1 1 354.372 3.079 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCc1ccc(Br)cc1F ZINC000729812140 722462732 /nfs/dbraw/zinc/46/27/32/722462732.db2.gz MZZYNQKGJZJDPP-HNNXBMFYSA-N 1 1 368.246 3.162 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000729811824 722462788 /nfs/dbraw/zinc/46/27/88/722462788.db2.gz CWCYFAJYSZKKNJ-INIZCTEOSA-N 1 1 351.368 3.378 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000730542927 722469012 /nfs/dbraw/zinc/46/90/12/722469012.db2.gz AAHATVWQYHWZTN-JKSUJKDBSA-N 1 1 351.277 3.264 20 30 FGEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2nccnc2Cl)c1C ZINC000733079954 722492194 /nfs/dbraw/zinc/49/21/94/722492194.db2.gz YEQQYNKLHRZOKV-INIZCTEOSA-N 1 1 360.893 3.479 20 30 FGEDMO CCOCCC[N@H+]1CCC(=NNC(=S)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000735227717 722513494 /nfs/dbraw/zinc/51/34/94/722513494.db2.gz GKIZPFXGYPXOIJ-CQSZACIVSA-N 1 1 366.506 3.237 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1cc(Cl)ccc1OCC#N ZINC000735303045 722514694 /nfs/dbraw/zinc/51/46/94/722514694.db2.gz JKIYJXDEEZWDGP-CYBMUJFWSA-N 1 1 350.850 3.115 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)CCCOc2cccc(Cl)c2Cl)CC1 ZINC000744364590 722576233 /nfs/dbraw/zinc/57/62/33/722576233.db2.gz QCBWMAAZMWYZLH-UHFFFAOYSA-N 1 1 369.292 3.320 20 30 FGEDMO C#CCSCCNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000746289870 722597156 /nfs/dbraw/zinc/59/71/56/722597156.db2.gz YNDBVLPLIGQFQZ-UHFFFAOYSA-N 1 1 352.503 3.171 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC(C=[NH+]n2cc(Br)cn2)CC1 ZINC000752742852 722869430 /nfs/dbraw/zinc/86/94/30/722869430.db2.gz LHZCXHWPHMNASI-UHFFFAOYSA-N 1 1 357.252 3.127 20 30 FGEDMO CC(C)(C)OC(=O)NC[C@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000752748319 722869917 /nfs/dbraw/zinc/86/99/17/722869917.db2.gz VQZNILSNYGLQSN-SNVBAGLBSA-N 1 1 357.252 3.175 20 30 FGEDMO C[C@H]1CC(=NNC(=S)Nc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000753953991 722919977 /nfs/dbraw/zinc/91/99/77/722919977.db2.gz ATLATKWSDZPTTH-JTQLQIEISA-N 1 1 367.316 3.348 20 30 FGEDMO C[C@H]1CC(=NNC(=S)Nc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000753953991 722919979 /nfs/dbraw/zinc/91/99/79/722919979.db2.gz ATLATKWSDZPTTH-JTQLQIEISA-N 1 1 367.316 3.348 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000754774302 722945605 /nfs/dbraw/zinc/94/56/05/722945605.db2.gz LOOVKWNDILPISO-INIZCTEOSA-N 1 1 358.511 3.072 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCc1cc(Br)cs1 ZINC000756554362 722966707 /nfs/dbraw/zinc/96/67/07/722966707.db2.gz YWRGCFALOYQCRB-ZDUSSCGKSA-N 1 1 356.285 3.084 20 30 FGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2sc3nc(C)nc(C)c3c2C)n1 ZINC000789759233 723070586 /nfs/dbraw/zinc/07/05/86/723070586.db2.gz QSKLOMXESIIFSS-UHFFFAOYSA-N 1 1 353.495 3.468 20 30 FGEDMO C#CCn1ccc(C[N@H+](CC)Cc2sc3nc(C)nc(C)c3c2C)n1 ZINC000789759233 723070589 /nfs/dbraw/zinc/07/05/89/723070589.db2.gz QSKLOMXESIIFSS-UHFFFAOYSA-N 1 1 353.495 3.468 20 30 FGEDMO C=CC[N@@H+](Cn1ncc2c1ccc(Br)c2C(=O)OC)C1CC1 ZINC000790442771 723140475 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C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000795635135 723603415 /nfs/dbraw/zinc/60/34/15/723603415.db2.gz YDDAFVRRLAEQCQ-IBGZPJMESA-N 1 1 359.495 3.153 20 30 FGEDMO C#C[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CCCO1 ZINC000775799024 724063137 /nfs/dbraw/zinc/06/31/37/724063137.db2.gz MQJNMVDATFYJRH-JSGCOSHPSA-N 1 1 360.198 3.321 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(C(=O)NCC)cc1 ZINC000778157854 724304778 /nfs/dbraw/zinc/30/47/78/724304778.db2.gz DVYNTKBXQUDGQC-UHFFFAOYSA-N 1 1 356.853 3.392 20 30 FGEDMO CC(C)(C)SCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000801930925 724347148 /nfs/dbraw/zinc/34/71/48/724347148.db2.gz ZSIYGZMUDNMSOF-UHFFFAOYSA-N 1 1 360.483 3.460 20 30 FGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)cc1 ZINC000809582694 725249667 /nfs/dbraw/zinc/24/96/67/725249667.db2.gz AXLQLVRGUVCPJA-KRWDZBQOSA-N 1 1 352.400 3.291 20 30 FGEDMO C#Cc1ccc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000809651262 725255917 /nfs/dbraw/zinc/25/59/17/725255917.db2.gz VJAHUGNUMBFECC-UHFFFAOYSA-N 1 1 366.412 3.251 20 30 FGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)cc1 ZINC000809696472 725259667 /nfs/dbraw/zinc/25/96/67/725259667.db2.gz KMOWSIRVIRRBPX-KRWDZBQOSA-N 1 1 355.356 3.016 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000812884825 726820287 /nfs/dbraw/zinc/82/02/87/726820287.db2.gz ZFXCDMJJNVTJEU-FQEVSTJZSA-N 1 1 356.853 3.378 20 30 FGEDMO C#C[C@H](NC(=O)NCC[N@H+](CC)CCC(F)(F)F)c1ccc(F)cc1 ZINC000813150717 726844161 /nfs/dbraw/zinc/84/41/61/726844161.db2.gz IIYQJKIKQGRHMH-HNNXBMFYSA-N 1 1 359.367 3.074 20 30 FGEDMO C#CCNC(=O)CC[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000815113364 727039516 /nfs/dbraw/zinc/03/95/16/727039516.db2.gz YVQMVLALWUEWDR-UHFFFAOYSA-N 1 1 366.305 3.296 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1sc2ccccc2c1Br ZINC000818606363 727316498 /nfs/dbraw/zinc/31/64/98/727316498.db2.gz PAFMPLOVBDIYPV-UHFFFAOYSA-N 1 1 365.296 3.349 20 30 FGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(-n3cc(Cl)cn3)c(F)c2)no1 ZINC000823156899 729257123 /nfs/dbraw/zinc/25/71/23/729257123.db2.gz ILTBAOYJDDSIMY-ZDUSSCGKSA-N 1 1 360.780 3.408 20 30 FGEDMO C=CCC[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC000825117968 729371471 /nfs/dbraw/zinc/37/14/71/729371471.db2.gz NHTLJTGYSGDUDB-HOTGVXAUSA-N 1 1 354.491 3.264 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C#N)CCSCC1 ZINC000827365154 729429452 /nfs/dbraw/zinc/42/94/52/729429452.db2.gz OLDUKJKLMMWRBJ-AEFFLSMTSA-N 1 1 357.523 3.050 20 30 FGEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000832777795 729731322 /nfs/dbraw/zinc/73/13/22/729731322.db2.gz BGXWKQZAYCKKSO-UHFFFAOYSA-N 1 1 355.404 3.438 20 30 FGEDMO COCC[N@@H+]1[C@H](C)CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000843426314 730619501 /nfs/dbraw/zinc/61/95/01/730619501.db2.gz SAIJZQMPLMFZLM-OKILXGFUSA-N 1 1 355.404 3.118 20 30 FGEDMO C#CCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000844354458 730706302 /nfs/dbraw/zinc/70/63/02/730706302.db2.gz KALVNYDSFVQSKF-KSZLIROESA-N 1 1 350.503 3.184 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCC#N)C2)C1 ZINC000844355165 730706726 /nfs/dbraw/zinc/70/67/26/730706726.db2.gz MCQXKRKCTDMBHC-BBWFWOEESA-N 1 1 351.491 3.074 20 30 FGEDMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365777 730708115 /nfs/dbraw/zinc/70/81/15/730708115.db2.gz DUZHMDXDDQHZKS-SWLSCSKDSA-N 1 1 354.435 3.396 20 30 FGEDMO C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365777 730708122 /nfs/dbraw/zinc/70/81/22/730708122.db2.gz DUZHMDXDDQHZKS-SWLSCSKDSA-N 1 1 354.435 3.396 20 30 FGEDMO C#C[C@H]1CCC[N@@H+](CN2C[C@H](c3cccc(C(F)(F)F)c3)CC2=O)C1 ZINC000848492775 731170718 /nfs/dbraw/zinc/17/07/18/731170718.db2.gz BTBWSHDWVVRKNM-GOEBONIOSA-N 1 1 350.384 3.324 20 30 FGEDMO C#C[C@H]1CCC[N@H+](CN2C[C@H](c3cccc(C(F)(F)F)c3)CC2=O)C1 ZINC000848492775 731170722 /nfs/dbraw/zinc/17/07/22/731170722.db2.gz BTBWSHDWVVRKNM-GOEBONIOSA-N 1 1 350.384 3.324 20 30 FGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852301126 731566907 /nfs/dbraw/zinc/56/69/07/731566907.db2.gz MXAVCQVGOHHSBW-MSOLQXFVSA-N 1 1 352.519 3.283 20 30 FGEDMO CCCCCCCCOCC(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000854567769 731841409 /nfs/dbraw/zinc/84/14/09/731841409.db2.gz AFGIAHRMTWNHDD-GOSISDBHSA-N 1 1 354.535 3.075 20 30 FGEDMO C#CCCOC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000859192879 732288204 /nfs/dbraw/zinc/28/82/04/732288204.db2.gz GHXZNKNFTYPAPQ-UHFFFAOYSA-N 1 1 365.271 3.163 20 30 FGEDMO COCCCNN=C1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863109446 732915475 /nfs/dbraw/zinc/91/54/75/732915475.db2.gz OMNLBHYJHKSLPW-INIZCTEOSA-N 1 1 354.292 3.198 20 30 FGEDMO COCCCNN=C1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863109446 732915478 /nfs/dbraw/zinc/91/54/78/732915478.db2.gz OMNLBHYJHKSLPW-INIZCTEOSA-N 1 1 354.292 3.198 20 30 FGEDMO N#CCc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000865030816 733131631 /nfs/dbraw/zinc/13/16/31/733131631.db2.gz 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FGEDMO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000045840856 494468728 /nfs/dbraw/zinc/46/87/28/494468728.db2.gz ZIOGIKKFPRCGKY-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccc(OC)c(OC)c1)Cc1ccccc1 ZINC000045840856 494468731 /nfs/dbraw/zinc/46/87/31/494468731.db2.gz ZIOGIKKFPRCGKY-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000074289028 494510930 /nfs/dbraw/zinc/51/09/30/494510930.db2.gz PFTNIWJFKSXWFL-QGZVFWFLSA-N 1 1 364.367 3.449 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000046436904 494528266 /nfs/dbraw/zinc/52/82/66/494528266.db2.gz WBOVUQQPAXIEMI-IAGOWNOFSA-N 1 1 363.461 3.097 20 30 FGEDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000577436218 505726321 /nfs/dbraw/zinc/72/63/21/505726321.db2.gz SIAAAHSISUHNQF-FQEVSTJZSA-N 1 1 363.461 3.303 20 30 FGEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000577436218 505726324 /nfs/dbraw/zinc/72/63/24/505726324.db2.gz SIAAAHSISUHNQF-FQEVSTJZSA-N 1 1 363.461 3.303 20 30 FGEDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000046529576 494535865 /nfs/dbraw/zinc/53/58/65/494535865.db2.gz YCJKLIPYHLLAQH-AWEZNQCLSA-N 1 1 352.394 3.234 20 30 FGEDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000046529576 494535868 /nfs/dbraw/zinc/53/58/68/494535868.db2.gz YCJKLIPYHLLAQH-AWEZNQCLSA-N 1 1 352.394 3.234 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529388 494536641 /nfs/dbraw/zinc/53/66/41/494536641.db2.gz QDIAHVHAMOSKFS-UHFFFAOYSA-N 1 1 352.394 3.236 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000046761159 494563620 /nfs/dbraw/zinc/56/36/20/494563620.db2.gz KNCPFFBLUDLSIV-HDICACEKSA-N 1 1 356.514 3.458 20 30 FGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000056792342 494564548 /nfs/dbraw/zinc/56/45/48/494564548.db2.gz SMHVJPVRWKVPCR-GOSISDBHSA-N 1 1 357.454 3.289 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2cccc(C#N)c2)cc1F ZINC000067646530 494594882 /nfs/dbraw/zinc/59/48/82/494594882.db2.gz NCZFDSZYNDSQAT-UHFFFAOYSA-N 1 1 363.396 3.191 20 30 FGEDMO Cn1cc([C@@H]2C[N@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2(C)C)cn1 ZINC000577454651 505730671 /nfs/dbraw/zinc/73/06/71/505730671.db2.gz URFXAYPMUSXOLL-INIZCTEOSA-N 1 1 371.872 3.009 20 30 FGEDMO Cn1cc([C@@H]2C[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2(C)C)cn1 ZINC000577454651 505730676 /nfs/dbraw/zinc/73/06/76/505730676.db2.gz URFXAYPMUSXOLL-INIZCTEOSA-N 1 1 371.872 3.009 20 30 FGEDMO CCC[N@@H+](CC(=O)N(C)C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000092382396 494611157 /nfs/dbraw/zinc/61/11/57/494611157.db2.gz CHZIHDGAHACRMA-UHFFFAOYSA-N 1 1 365.477 3.437 20 30 FGEDMO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](CC)CC1 ZINC000571450571 505735619 /nfs/dbraw/zinc/73/56/19/505735619.db2.gz RVHOHAYURYQTKF-INIZCTEOSA-N 1 1 373.476 3.275 20 30 FGEDMO C[S@@](=O)c1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000091792582 494683084 /nfs/dbraw/zinc/68/30/84/494683084.db2.gz YQWXLIMTJGZLAC-VWLOTQADSA-N 1 1 353.491 3.008 20 30 FGEDMO C[S@@](=O)c1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000091792582 494683095 /nfs/dbraw/zinc/68/30/95/494683095.db2.gz YQWXLIMTJGZLAC-VWLOTQADSA-N 1 1 353.491 3.008 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000108359292 494688492 /nfs/dbraw/zinc/68/84/92/494688492.db2.gz OALGQEVXEZAJCO-CVEARBPZSA-N 1 1 373.522 3.378 20 30 FGEDMO COC(=O)c1cccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1C#N ZINC000571452452 505736544 /nfs/dbraw/zinc/73/65/44/505736544.db2.gz WKNMWMXANRYHKQ-KRWDZBQOSA-N 1 1 358.463 3.256 20 30 FGEDMO COc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)cc1OCCCC#N ZINC000091856676 494707898 /nfs/dbraw/zinc/70/78/98/494707898.db2.gz PLBZQFXTPOGEOV-QFBILLFUSA-N 1 1 362.495 3.084 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(OCc3ccccc3F)CC2)CCCCC1 ZINC000091863080 494709054 /nfs/dbraw/zinc/70/90/54/494709054.db2.gz UGRIEVDOGJIRPS-UHFFFAOYSA-N 1 1 373.472 3.149 20 30 FGEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000025227528 494712258 /nfs/dbraw/zinc/71/22/58/494712258.db2.gz XXUCBNARJZSVPT-DENIHFKCSA-N 1 1 366.461 3.338 20 30 FGEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092706170 494718103 /nfs/dbraw/zinc/71/81/03/494718103.db2.gz ADQAGRIUCOOVRC-LJQANCHMSA-N 1 1 357.498 3.353 20 30 FGEDMO C=CCc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)CCC)C2)cc(OC)c1O ZINC000092707634 494721149 /nfs/dbraw/zinc/72/11/49/494721149.db2.gz JQQKGCGPCYILDB-INIZCTEOSA-N 1 1 360.498 3.258 20 30 FGEDMO C=CCc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCCCC)C2)cc(OC)c1O ZINC000092710253 494724673 /nfs/dbraw/zinc/72/46/73/494724673.db2.gz OSMJGBRFLQWSNA-GOSISDBHSA-N 1 1 360.498 3.258 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000091936773 494728162 /nfs/dbraw/zinc/72/81/62/494728162.db2.gz YTGRQEKQJZAMHM-AWEZNQCLSA-N 1 1 355.511 3.418 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000091936773 494728175 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20 30 FGEDMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000187538737 496482539 /nfs/dbraw/zinc/48/25/39/496482539.db2.gz BWEWJNVZHRDXIY-GHTZIAJQSA-N 1 1 357.498 3.115 20 30 FGEDMO CCOCC[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000157525516 496495333 /nfs/dbraw/zinc/49/53/33/496495333.db2.gz NCVNKFMMJFWTQI-CQSZACIVSA-N 1 1 363.527 3.432 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000163314606 496497651 /nfs/dbraw/zinc/49/76/51/496497651.db2.gz HYJXBOXIFLNYRT-GOSISDBHSA-N 1 1 357.498 3.200 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(CCOC3)C2)sc2c1CCCCC2 ZINC000153582504 496506697 /nfs/dbraw/zinc/50/66/97/496506697.db2.gz DOKULGHCXXFKKP-HXUWFJFHSA-N 1 1 373.522 3.330 20 30 FGEDMO CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000175706215 496508053 /nfs/dbraw/zinc/50/80/53/496508053.db2.gz LSTXVDWVDVBDFM-UHFFFAOYSA-N 1 1 358.486 3.062 20 30 FGEDMO Cc1nc(C[NH+]2CCC(CNc3ccc([N+](=O)[O-])c(C#N)c3)CC2)oc1C ZINC000157724688 496539941 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MWLYMBSWRPOJEE-LPHOPBHVSA-N 1 1 373.497 3.077 20 30 FGEDMO C=CCn1c(CCc2ccco2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453424401 501328648 /nfs/dbraw/zinc/32/86/48/501328648.db2.gz JEFHDQPELKSSAV-ZIFCJYIRSA-N 1 1 369.513 3.009 20 30 FGEDMO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000453425726 501329319 /nfs/dbraw/zinc/32/93/19/501329319.db2.gz OTASZEXASYKLFL-WBVHZDCISA-N 1 1 373.526 3.260 20 30 FGEDMO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453437515 501331961 /nfs/dbraw/zinc/33/19/61/501331961.db2.gz JHVCBMHDBOQCKL-WMZOPIPTSA-N 1 1 359.518 3.016 20 30 FGEDMO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000453440828 501332838 /nfs/dbraw/zinc/33/28/38/501332838.db2.gz NGDDFBAFDMUAFJ-UHOSZYNNSA-N 1 1 371.529 3.159 20 30 FGEDMO C=C(C)Cn1c(N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)nnc1[C@@]1(C)CCCO1 ZINC000453471126 501341206 /nfs/dbraw/zinc/34/12/06/501341206.db2.gz RXHVOGSFAYLUDS-SQGPQFPESA-N 1 1 361.534 3.046 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)CN1CCCC1 ZINC000452099996 501434845 /nfs/dbraw/zinc/43/48/45/501434845.db2.gz YFEDNPGPFQOGFF-INIZCTEOSA-N 1 1 374.554 3.483 20 30 FGEDMO C=C(CC)CNC(=O)N(C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000459067723 501587311 /nfs/dbraw/zinc/58/73/11/501587311.db2.gz BJUJVYIUKYLDDS-UHFFFAOYSA-N 1 1 374.529 3.279 20 30 FGEDMO C=C(CC)CNC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000459067723 501587314 /nfs/dbraw/zinc/58/73/14/501587314.db2.gz BJUJVYIUKYLDDS-UHFFFAOYSA-N 1 1 374.529 3.279 20 30 FGEDMO COc1cc(CN[C@@H]2CCC[C@@H]2C#N)cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000459482072 501661412 /nfs/dbraw/zinc/66/14/12/501661412.db2.gz QUPROWXBBVHZMA-VURPSTOHSA-N 1 1 352.482 3.259 20 30 FGEDMO COC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000459503622 501665552 /nfs/dbraw/zinc/66/55/52/501665552.db2.gz BQUXQKQOWMVEMK-AWEZNQCLSA-N 1 1 355.463 3.290 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000457500489 501711656 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CO[C@@]1(C)CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000470905743 501849748 /nfs/dbraw/zinc/84/97/48/501849748.db2.gz IWWDRIODRPFUML-IBGZPJMESA-N 1 1 363.889 3.396 20 30 FGEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000471014003 501891245 /nfs/dbraw/zinc/89/12/45/501891245.db2.gz HDLFXOOAVSVMBQ-HXUWFJFHSA-N 1 1 355.869 3.215 20 30 FGEDMO Cc1ccc2[nH]c(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)nc2c1 ZINC000478170812 501900338 /nfs/dbraw/zinc/90/03/38/501900338.db2.gz GJUJQOZLAOZRBJ-UHFFFAOYSA-N 1 1 356.433 3.433 20 30 FGEDMO Cc1ccc2nc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)[nH]c2c1 ZINC000478170812 501900341 /nfs/dbraw/zinc/90/03/41/501900341.db2.gz GJUJQOZLAOZRBJ-UHFFFAOYSA-N 1 1 356.433 3.433 20 30 FGEDMO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000485737231 501919815 /nfs/dbraw/zinc/91/98/15/501919815.db2.gz KEYYZHNYFRRSAP-QFIPXVFZSA-N 1 1 374.488 3.184 20 30 FGEDMO C[N@H+](CCOc1ccccc1F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485741711 501921183 /nfs/dbraw/zinc/92/11/83/501921183.db2.gz ZXBQIKPOKHPPJL-IBGZPJMESA-N 1 1 367.424 3.204 20 30 FGEDMO C[N@@H+](CCOc1ccccc1F)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485741711 501921188 /nfs/dbraw/zinc/92/11/88/501921188.db2.gz ZXBQIKPOKHPPJL-IBGZPJMESA-N 1 1 367.424 3.204 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C[C@@H]1C ZINC000460848894 501937443 /nfs/dbraw/zinc/93/74/43/501937443.db2.gz LCGSLSAPLFQQIY-IRXDYDNUSA-N 1 1 366.513 3.392 20 30 FGEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460941606 501965211 /nfs/dbraw/zinc/96/52/11/501965211.db2.gz XNWASPXRAPTGLN-QGZVFWFLSA-N 1 1 357.527 3.179 20 30 FGEDMO N#Cc1cc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)ccc1F ZINC000468282765 502015548 /nfs/dbraw/zinc/01/55/48/502015548.db2.gz UTIFYSRCGZDJDB-UHFFFAOYSA-N 1 1 355.388 3.231 20 30 FGEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000479352734 502233038 /nfs/dbraw/zinc/23/30/38/502233038.db2.gz YDQLCLAMZMEVSZ-IAGOWNOFSA-N 1 1 363.502 3.123 20 30 FGEDMO CCC[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC000461952065 502249776 /nfs/dbraw/zinc/24/97/76/502249776.db2.gz AILMBESPYVCWOQ-ZCNNSNEGSA-N 1 1 354.498 3.375 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCc4ccc(Cl)cc43)CC2)c1C#N ZINC000472155817 502251907 /nfs/dbraw/zinc/25/19/07/502251907.db2.gz MCZWTTQFWJFYQO-GOSISDBHSA-N 1 1 355.873 3.063 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2)C1 ZINC000479514522 502282801 /nfs/dbraw/zinc/28/28/01/502282801.db2.gz PEGCDGYDIADLSM-IYBDPMFKSA-N 1 1 350.466 3.294 20 30 FGEDMO CC[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@]2(CCOC2)O1 ZINC000483130940 502283376 /nfs/dbraw/zinc/28/33/76/502283376.db2.gz AJGOCFOAAURQHG-ZWKOTPCHSA-N 1 1 353.384 3.327 20 30 FGEDMO CC[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@]2(CCOC2)O1 ZINC000483130940 502283380 /nfs/dbraw/zinc/28/33/80/502283380.db2.gz AJGOCFOAAURQHG-ZWKOTPCHSA-N 1 1 353.384 3.327 20 30 FGEDMO CC1(C)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483192045 502309078 /nfs/dbraw/zinc/30/90/78/502309078.db2.gz FXMPMWMDCVFSCJ-SFHVURJKSA-N 1 1 369.383 3.207 20 30 FGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483192045 502309083 /nfs/dbraw/zinc/30/90/83/502309083.db2.gz FXMPMWMDCVFSCJ-SFHVURJKSA-N 1 1 369.383 3.207 20 30 FGEDMO C[C@H]1CCN(C(=O)NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000465585645 502316240 /nfs/dbraw/zinc/31/62/40/502316240.db2.gz SAQWPDLHUAUDFL-FQEVSTJZSA-N 1 1 361.489 3.344 20 30 FGEDMO COC(=O)[C@@]1(NCCCC(C)(C)C#N)CCC[N@@H+](Cc2ccccc2)C1 ZINC000611797611 506307813 /nfs/dbraw/zinc/30/78/13/506307813.db2.gz YGCVAQNWXHOOGC-OAQYLSRUSA-N 1 1 357.498 3.114 20 30 FGEDMO C=CCN(CC=C)C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483514144 502416991 /nfs/dbraw/zinc/41/69/91/502416991.db2.gz QSBIFYCVIUARFS-VXKWHMMOSA-N 1 1 367.537 3.174 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2)CC1 ZINC000469522818 502450899 /nfs/dbraw/zinc/45/08/99/502450899.db2.gz YRTYTVWBKWNJOS-UHFFFAOYSA-N 1 1 366.440 3.087 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000469582476 502470473 /nfs/dbraw/zinc/47/04/73/502470473.db2.gz JIKRFLRTGRRJBT-DXBBTUNJSA-N 1 1 368.521 3.481 20 30 FGEDMO Cc1cc(N2CC[C@@H](C(F)F)C2)c(C#N)c(N2CC[C@@H](C(F)F)C2)[nH+]1 ZINC000596219813 506317505 /nfs/dbraw/zinc/31/75/05/506317505.db2.gz GRTUOPVNTWTXHT-VXGBXAGGSA-N 1 1 356.367 3.445 20 30 FGEDMO COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000483978346 502539337 /nfs/dbraw/zinc/53/93/37/502539337.db2.gz KMJRJUJRPVIYPM-UHFFFAOYSA-N 1 1 352.409 3.404 20 30 FGEDMO CC[N@@H+](CCNC(=O)Nc1ccc(C#N)c(Br)c1)C(C)C ZINC000487937394 502572660 /nfs/dbraw/zinc/57/26/60/502572660.db2.gz XUTJMBIOVSSFJM-UHFFFAOYSA-N 1 1 353.264 3.173 20 30 FGEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1(C)C ZINC000477059949 502665873 /nfs/dbraw/zinc/66/58/73/502665873.db2.gz SECFLACGSOBRAK-RTBURBONSA-N 1 1 357.498 3.090 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000466778880 502674716 /nfs/dbraw/zinc/67/47/16/502674716.db2.gz QZGSIQWTUOSWQH-OXQOHEQNSA-N 1 1 354.498 3.209 20 30 FGEDMO CC[C@H](OCC[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 ZINC000592998291 506327943 /nfs/dbraw/zinc/32/79/43/506327943.db2.gz QGNCOIGVLNGSPP-FQEVSTJZSA-N 1 1 350.466 3.243 20 30 FGEDMO COc1ccccc1CN1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000477140823 502689488 /nfs/dbraw/zinc/68/94/88/502689488.db2.gz RCZMIKUKGZEJPV-UHFFFAOYSA-N 1 1 365.477 3.154 20 30 FGEDMO C=CC[N@@H+](CCOC)[C@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000484676374 502704540 /nfs/dbraw/zinc/70/45/40/502704540.db2.gz GIFHWDIDUCKVND-QGZVFWFLSA-N 1 1 370.493 3.330 20 30 FGEDMO C=CC[N@H+](CCOC)[C@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000484676374 502704544 /nfs/dbraw/zinc/70/45/44/502704544.db2.gz GIFHWDIDUCKVND-QGZVFWFLSA-N 1 1 370.493 3.330 20 30 FGEDMO C=CCn1cccc1C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000488410874 502707210 /nfs/dbraw/zinc/70/72/10/502707210.db2.gz VGFWDCPXEXDEKG-HDICACEKSA-N 1 1 367.493 3.213 20 30 FGEDMO C=CCOc1ccc(CNc2[nH+]cccc2N2CCOCC2)cc1OC ZINC000463245925 502734965 /nfs/dbraw/zinc/73/49/65/502734965.db2.gz AIGQEVAXWGUQFE-UHFFFAOYSA-N 1 1 355.438 3.104 20 30 FGEDMO C=CCCN(C)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000466982012 502747622 /nfs/dbraw/zinc/74/76/22/502747622.db2.gz YVKXBVZKWJSGBR-UHFFFAOYSA-N 1 1 364.921 3.070 20 30 FGEDMO CC(C)CCN(CCC#N)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000484900003 502770610 /nfs/dbraw/zinc/77/06/10/502770610.db2.gz LQXWWQFTDMQXOW-FQEVSTJZSA-N 1 1 370.541 3.154 20 30 FGEDMO C[N@H+](CCc1cccc(Br)c1)CC(=O)Nc1cccc(C#N)c1 ZINC000463413660 502789900 /nfs/dbraw/zinc/78/99/00/502789900.db2.gz HIYQRYXYEAJARU-UHFFFAOYSA-N 1 1 372.266 3.434 20 30 FGEDMO C[N@@H+](CCc1cccc(Br)c1)CC(=O)Nc1cccc(C#N)c1 ZINC000463413660 502789906 /nfs/dbraw/zinc/78/99/06/502789906.db2.gz HIYQRYXYEAJARU-UHFFFAOYSA-N 1 1 372.266 3.434 20 30 FGEDMO N#Cc1cccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000504889264 502819535 /nfs/dbraw/zinc/81/95/35/502819535.db2.gz ULGFAIXKSUATAE-IBGZPJMESA-N 1 1 369.415 3.332 20 30 FGEDMO C[C@H]1C[C@H](CCNC(=O)N2CCC(F)(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000500599480 502823687 /nfs/dbraw/zinc/82/36/87/502823687.db2.gz JUKJPVRWXFPXHP-HKUYNNGSSA-N 1 1 372.488 3.324 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602890074 506340223 /nfs/dbraw/zinc/34/02/23/506340223.db2.gz YNNKZSOEBCKDGT-YJBOKZPZSA-N 1 1 371.444 3.318 20 30 FGEDMO Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc(C#N)c1[N+](=O)[O-] ZINC000596280390 506340214 /nfs/dbraw/zinc/34/02/14/506340214.db2.gz CMNKEPDKMYJFKW-FXAWDEMLSA-N 1 1 362.433 3.486 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000500967878 502901984 /nfs/dbraw/zinc/90/19/84/502901984.db2.gz TVVBOJGSVZAQMN-AOIWZFSPSA-N 1 1 373.537 3.416 20 30 FGEDMO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000593020041 506341466 /nfs/dbraw/zinc/34/14/66/506341466.db2.gz VJZOTVJDYMESIE-QFIPXVFZSA-N 1 1 364.493 3.326 20 30 FGEDMO CCc1ccc([C@@H]2CN(C(=O)CSc3ccc(C#N)cc3)CC[NH2+]2)cc1 ZINC000505535273 502929291 /nfs/dbraw/zinc/92/92/91/502929291.db2.gz BNIGDTKVFLLYSP-FQEVSTJZSA-N 1 1 365.502 3.386 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000489326470 502930162 /nfs/dbraw/zinc/93/01/62/502930162.db2.gz IXWBCDITRCPXFO-IBGZPJMESA-N 1 1 370.541 3.209 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)c2ccc(F)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000509622963 502951453 /nfs/dbraw/zinc/95/14/53/502951453.db2.gz DOWYGIQHDPTZGN-MGPUTAFESA-N 1 1 355.461 3.340 20 30 FGEDMO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000505623410 502952904 /nfs/dbraw/zinc/95/29/04/502952904.db2.gz TWXREEVSSPUENU-SFHVURJKSA-N 1 1 371.525 3.228 20 30 FGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000489438762 502957466 /nfs/dbraw/zinc/95/74/66/502957466.db2.gz PUZRUJGSAHPXNP-KRWDZBQOSA-N 1 1 350.384 3.214 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000489438762 502957471 /nfs/dbraw/zinc/95/74/71/502957471.db2.gz PUZRUJGSAHPXNP-KRWDZBQOSA-N 1 1 350.384 3.214 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000489472216 502967128 /nfs/dbraw/zinc/96/71/28/502967128.db2.gz FXYMNWWVJCNEDM-QFBILLFUSA-N 1 1 358.482 3.408 20 30 FGEDMO C=CCCCS(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000489573595 502989268 /nfs/dbraw/zinc/98/92/68/502989268.db2.gz QCESVEMAUHRQHH-HXUWFJFHSA-N 1 1 362.539 3.271 20 30 FGEDMO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000505833689 502996139 /nfs/dbraw/zinc/99/61/39/502996139.db2.gz UTGZRWYIPXROLN-SJORKVTESA-N 1 1 357.498 3.123 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC000506036529 503033919 /nfs/dbraw/zinc/03/39/19/503033919.db2.gz NHXDAGKUFKPVNJ-JXFKEZNVSA-N 1 1 366.461 3.349 20 30 FGEDMO CC(C)NC(=O)C[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000506059988 503038619 /nfs/dbraw/zinc/03/86/19/503038619.db2.gz OLBPYWXJNXKXND-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO CC(C)NC(=O)C[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000506059988 503038621 /nfs/dbraw/zinc/03/86/21/503038621.db2.gz OLBPYWXJNXKXND-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO CN(CCC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC000599152734 506348773 /nfs/dbraw/zinc/34/87/73/506348773.db2.gz NXOUYGXBDTYXGJ-JTHBVZDNSA-N 1 1 361.489 3.448 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000501856046 503094950 /nfs/dbraw/zinc/09/49/50/503094950.db2.gz IDGMVOSQJHDGBQ-KRWDZBQOSA-N 1 1 359.518 3.202 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000501943149 503113459 /nfs/dbraw/zinc/11/34/59/503113459.db2.gz ALDIAKAEEHRRFM-UHFFFAOYSA-N 1 1 359.518 3.204 20 30 FGEDMO N#Cc1cn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)c2ccccc12 ZINC000596314771 506354295 /nfs/dbraw/zinc/35/42/95/506354295.db2.gz PWNFANAAXYWMKV-HXUWFJFHSA-N 1 1 373.456 3.164 20 30 FGEDMO CCCOc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1OC ZINC000506686412 503156548 /nfs/dbraw/zinc/15/65/48/503156548.db2.gz FIFOGHIVDNXATF-UHFFFAOYSA-N 1 1 366.465 3.073 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](CCO)C(C)C)cc1OC ZINC000506752290 503165900 /nfs/dbraw/zinc/16/59/00/503165900.db2.gz LMGBLUQNCKIPRK-UHFFFAOYSA-N 1 1 358.276 3.225 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000514855761 503210968 /nfs/dbraw/zinc/21/09/68/503210968.db2.gz NEQZPWOOSYLXRO-LAUBAEHRSA-N 1 1 356.514 3.162 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000514855761 503210969 /nfs/dbraw/zinc/21/09/69/503210969.db2.gz NEQZPWOOSYLXRO-LAUBAEHRSA-N 1 1 356.514 3.162 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@H]1C ZINC000498574286 503217219 /nfs/dbraw/zinc/21/72/19/503217219.db2.gz YDPRZMMCOCVKKR-CVEARBPZSA-N 1 1 364.449 3.300 20 30 FGEDMO N#CC1(F)CC[NH+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000510966450 503226964 /nfs/dbraw/zinc/22/69/64/503226964.db2.gz IJIQCGZCCRDSRG-UHFFFAOYSA-N 1 1 359.474 3.022 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000507116778 503233927 /nfs/dbraw/zinc/23/39/27/503233927.db2.gz RSXIHZHVMPBYFB-ZDUSSCGKSA-N 1 1 360.408 3.274 20 30 FGEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000514978215 503241078 /nfs/dbraw/zinc/24/10/78/503241078.db2.gz YDDNTYAOAADYNA-QZTJIDSGSA-N 1 1 368.529 3.391 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Br)cc1F ZINC000507221696 503253331 /nfs/dbraw/zinc/25/33/31/503253331.db2.gz NAGHRJZIKGDVTJ-MNOVXSKESA-N 1 1 368.250 3.190 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000491084450 503270868 /nfs/dbraw/zinc/27/08/68/503270868.db2.gz GVQPFRBHIYBPBC-UHFFFAOYSA-N 1 1 368.412 3.313 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1C ZINC000498922843 503294314 /nfs/dbraw/zinc/29/43/14/503294314.db2.gz FEUWHWSGGYJHRT-IXDOHACOSA-N 1 1 374.554 3.434 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)Nc2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000515328289 503315866 /nfs/dbraw/zinc/31/58/66/503315866.db2.gz QVOSUGAZFLAJRE-KSSFIOAISA-N 1 1 352.413 3.482 20 30 FGEDMO CC[C@@H]1COC(C)(C)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000593057671 506365205 /nfs/dbraw/zinc/36/52/05/506365205.db2.gz WBMMCYPQLGRMOZ-CYBMUJFWSA-N 1 1 361.511 3.326 20 30 FGEDMO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000507772393 503363550 /nfs/dbraw/zinc/36/35/50/503363550.db2.gz QSYDWZVCJFCPGY-CBGDNZLLSA-N 1 1 369.509 3.342 20 30 FGEDMO C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC000593068251 506371695 /nfs/dbraw/zinc/37/16/95/506371695.db2.gz ZUZACZWTIFUOTA-YJYMSZOUSA-N 1 1 353.853 3.400 20 30 FGEDMO C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC000593068251 506371702 /nfs/dbraw/zinc/37/17/02/506371702.db2.gz ZUZACZWTIFUOTA-YJYMSZOUSA-N 1 1 353.853 3.400 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980798 506372299 /nfs/dbraw/zinc/37/22/99/506372299.db2.gz VVOXJZNFLIFXCE-IEBWSBKVSA-N 1 1 365.481 3.442 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(F)(C#N)CC1 ZINC000499727525 503468441 /nfs/dbraw/zinc/46/84/41/503468441.db2.gz QJRHBKGXTGXDHC-DZFIZOCASA-N 1 1 372.488 3.180 20 30 FGEDMO C=C(C)C[N@@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccc(CO)o1 ZINC000512152440 503471963 /nfs/dbraw/zinc/47/19/63/503471963.db2.gz MSTHHWXZKVRYJL-UHFFFAOYSA-N 1 1 368.477 3.125 20 30 FGEDMO C[C@H]1C[C@H]1[N@H+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)C1 ZINC000516232668 503476800 /nfs/dbraw/zinc/47/68/00/503476800.db2.gz IIGBUUQELINJEG-ZRGWGRIASA-N 1 1 374.916 3.202 20 30 FGEDMO C[C@H]1C[C@H]1N1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)C1 ZINC000516232668 503476802 /nfs/dbraw/zinc/47/68/02/503476802.db2.gz IIGBUUQELINJEG-ZRGWGRIASA-N 1 1 374.916 3.202 20 30 FGEDMO C[C@H]1C[C@H]1N1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)C1 ZINC000516232668 503476805 /nfs/dbraw/zinc/47/68/05/503476805.db2.gz IIGBUUQELINJEG-ZRGWGRIASA-N 1 1 374.916 3.202 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cccc(C#N)c1 ZINC000499787763 503481971 /nfs/dbraw/zinc/48/19/71/503481971.db2.gz VOMDNXNCWMHSQY-ZWKOTPCHSA-N 1 1 362.477 3.363 20 30 FGEDMO Cc1cc(NC(=O)C[NH+]2CCC(CCC#N)CC2)n(-c2ccc(C)cc2)n1 ZINC000516283781 503488590 /nfs/dbraw/zinc/48/85/90/503488590.db2.gz JGUUGSRJSOYHJH-UHFFFAOYSA-N 1 1 365.481 3.443 20 30 FGEDMO C[C@@H]1CN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000516297864 503490176 /nfs/dbraw/zinc/49/01/76/503490176.db2.gz QZHRBQKIQWRXQY-KRWDZBQOSA-N 1 1 364.449 3.420 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1ccccc1Cl ZINC000512230368 503493012 /nfs/dbraw/zinc/49/30/12/503493012.db2.gz VPEJUGSYJIYHRF-OAHLLOKOSA-N 1 1 365.857 3.243 20 30 FGEDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(F)cc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000494209005 503503585 /nfs/dbraw/zinc/50/35/85/503503585.db2.gz OWSDZTGJOUDJBW-IEBWSBKVSA-N 1 1 359.351 3.037 20 30 FGEDMO C=CCCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000504020292 503511288 /nfs/dbraw/zinc/51/12/88/503511288.db2.gz KWMNKVKPSXPGNQ-CALCHBBNSA-N 1 1 357.498 3.123 20 30 FGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](C)C2)c1C#N ZINC000508620707 503531196 /nfs/dbraw/zinc/53/11/96/503531196.db2.gz JZXDPALOJOUGLG-HNNXBMFYSA-N 1 1 350.466 3.305 20 30 FGEDMO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](C)C2)c1C#N ZINC000508620707 503531199 /nfs/dbraw/zinc/53/11/99/503531199.db2.gz JZXDPALOJOUGLG-HNNXBMFYSA-N 1 1 350.466 3.305 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1OC ZINC000512410422 503540975 /nfs/dbraw/zinc/54/09/75/503540975.db2.gz SMMAIHSCTQCLPB-UHFFFAOYSA-N 1 1 366.461 3.216 20 30 FGEDMO Cn1c(C[NH2+]Cc2cnc3ccc(C#N)cn23)nc2cc(Cl)ccc21 ZINC000494461852 503545961 /nfs/dbraw/zinc/54/59/61/503545961.db2.gz ARTDBRJGJFUWMK-UHFFFAOYSA-N 1 1 350.813 3.036 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+](CCCO)[C@@H]3CCc4ccccc43)o2)c1 ZINC000494548918 503562331 /nfs/dbraw/zinc/56/23/31/503562331.db2.gz OOHGAPWNJSQQHU-HXUWFJFHSA-N 1 1 374.444 3.480 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+](CCCO)[C@@H]3CCc4ccccc43)o2)c1 ZINC000494548918 503562336 /nfs/dbraw/zinc/56/23/36/503562336.db2.gz OOHGAPWNJSQQHU-HXUWFJFHSA-N 1 1 374.444 3.480 20 30 FGEDMO CC(C)C[N@@H+]1CCO[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516689522 503569507 /nfs/dbraw/zinc/56/95/07/503569507.db2.gz HAOMPNHOOUTBAG-INIZCTEOSA-N 1 1 355.404 3.023 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516689522 503569511 /nfs/dbraw/zinc/56/95/11/503569511.db2.gz HAOMPNHOOUTBAG-INIZCTEOSA-N 1 1 355.404 3.023 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000588913504 506379486 /nfs/dbraw/zinc/37/94/86/506379486.db2.gz WEYVQWKUXMISPS-IERDGZPVSA-N 1 1 362.477 3.365 20 30 FGEDMO CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806932 503636142 /nfs/dbraw/zinc/63/61/42/503636142.db2.gz ZVVCQKPJIJUXNK-HNNXBMFYSA-N 1 1 361.461 3.091 20 30 FGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(I)cc1C)C1CC1 ZINC000540054818 503655840 /nfs/dbraw/zinc/65/58/40/503655840.db2.gz BUHOKQDAFDXGOJ-UHFFFAOYSA-N 1 1 370.234 3.189 20 30 FGEDMO C=CC[N@H+](CC(=O)Nc1ccc(I)cc1C)C1CC1 ZINC000540054818 503655848 /nfs/dbraw/zinc/65/58/48/503655848.db2.gz BUHOKQDAFDXGOJ-UHFFFAOYSA-N 1 1 370.234 3.189 20 30 FGEDMO C=CC[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536674233 503673765 /nfs/dbraw/zinc/67/37/65/503673765.db2.gz RWWPUGSFABXBFU-AWEZNQCLSA-N 1 1 350.451 3.345 20 30 FGEDMO C=CC[N@H+](Cc1c(C)nn(CC)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536676354 503674847 /nfs/dbraw/zinc/67/48/47/503674847.db2.gz NEFVQRAYVVMZOT-INIZCTEOSA-N 1 1 365.485 3.245 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3cc(C#N)ccc3OC)CC2)c1 ZINC000533004160 503694385 /nfs/dbraw/zinc/69/43/85/503694385.db2.gz QOMYPOVEJRYNTF-KRWDZBQOSA-N 1 1 365.477 3.454 20 30 FGEDMO COCc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000529813768 503713741 /nfs/dbraw/zinc/71/37/41/503713741.db2.gz CCDOJHHDKCPWOA-IIBYNOLFSA-N 1 1 363.461 3.411 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000533080950 503725330 /nfs/dbraw/zinc/72/53/30/503725330.db2.gz HKIQPLOKBXLPJR-CVEARBPZSA-N 1 1 361.873 3.289 20 30 FGEDMO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc2c(c1)OCCO2 ZINC000540377413 503752650 /nfs/dbraw/zinc/75/26/50/503752650.db2.gz ZEWOWGPRZSSNDY-GOSISDBHSA-N 1 1 366.417 3.357 20 30 FGEDMO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000517530440 503764959 /nfs/dbraw/zinc/76/49/59/503764959.db2.gz QHXQLNWMLQPHOJ-KRWDZBQOSA-N 1 1 357.498 3.291 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000517572843 503775108 /nfs/dbraw/zinc/77/51/08/503775108.db2.gz SQKZBKWAJZLBJX-NRFANRHFSA-N 1 1 365.433 3.284 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000533282280 503789554 /nfs/dbraw/zinc/78/95/54/503789554.db2.gz HHMYPFMBSHTMMV-UHFFFAOYSA-N 1 1 359.433 3.312 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000533282280 503789557 /nfs/dbraw/zinc/78/95/57/503789557.db2.gz HHMYPFMBSHTMMV-UHFFFAOYSA-N 1 1 359.433 3.312 20 30 FGEDMO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285168 503791621 /nfs/dbraw/zinc/79/16/21/503791621.db2.gz RQIOCRLNTQSXHH-SFHVURJKSA-N 1 1 368.525 3.155 20 30 FGEDMO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000533285168 503791625 /nfs/dbraw/zinc/79/16/25/503791625.db2.gz RQIOCRLNTQSXHH-SFHVURJKSA-N 1 1 368.525 3.155 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000533345940 503813119 /nfs/dbraw/zinc/81/31/19/503813119.db2.gz HQQVGIICAPLFCM-SOLBZPMBSA-N 1 1 373.522 3.378 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000533345940 503813125 /nfs/dbraw/zinc/81/31/25/503813125.db2.gz HQQVGIICAPLFCM-SOLBZPMBSA-N 1 1 373.522 3.378 20 30 FGEDMO COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527578583 503841492 /nfs/dbraw/zinc/84/14/92/503841492.db2.gz VZPLOLPQLWHAMB-UHFFFAOYSA-N 1 1 367.449 3.171 20 30 FGEDMO COc1cc(F)c(C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1OC ZINC000517946220 503873253 /nfs/dbraw/zinc/87/32/53/503873253.db2.gz ZDGKMNGZSZQKPC-UHFFFAOYSA-N 1 1 358.413 3.363 20 30 FGEDMO COc1cc(F)c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1OC ZINC000517946220 503873259 /nfs/dbraw/zinc/87/32/59/503873259.db2.gz ZDGKMNGZSZQKPC-UHFFFAOYSA-N 1 1 358.413 3.363 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)cn1 ZINC000517956827 503876023 /nfs/dbraw/zinc/87/60/23/503876023.db2.gz JPNQSAKLRVGLKN-VGSWGCGISA-N 1 1 363.509 3.389 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1ccc(C#N)cn1 ZINC000517956827 503876024 /nfs/dbraw/zinc/87/60/24/503876024.db2.gz JPNQSAKLRVGLKN-VGSWGCGISA-N 1 1 363.509 3.389 20 30 FGEDMO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000517956827 503876028 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FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599553048 506496895 /nfs/dbraw/zinc/49/68/95/506496895.db2.gz RSLNCMLMDNNZHY-MOPGFXCFSA-N 1 1 373.522 3.302 20 30 FGEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599581838 506508853 /nfs/dbraw/zinc/50/88/53/506508853.db2.gz KOAZMSZRXNYENX-SJORKVTESA-N 1 1 350.503 3.387 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599587924 506514593 /nfs/dbraw/zinc/51/45/93/506514593.db2.gz MPJHDBGXABQCHE-RDJZCZTQSA-N 1 1 374.481 3.245 20 30 FGEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000599623900 506534750 /nfs/dbraw/zinc/53/47/50/506534750.db2.gz WKSFJFOMTGSHEU-SFHVURJKSA-N 1 1 356.445 3.050 20 30 FGEDMO CCOCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000599626655 506538764 /nfs/dbraw/zinc/53/87/64/506538764.db2.gz YATVNAFDZWZOHC-XLIONFOSSA-N 1 1 357.498 3.021 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(C(F)(F)F)c1 ZINC000589498187 506571066 /nfs/dbraw/zinc/57/10/66/506571066.db2.gz PJZUXKUXRFGRON-OAHLLOKOSA-N 1 1 351.372 3.164 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c(C(F)(F)F)c1 ZINC000589498187 506571071 /nfs/dbraw/zinc/57/10/71/506571071.db2.gz PJZUXKUXRFGRON-OAHLLOKOSA-N 1 1 351.372 3.164 20 30 FGEDMO C[C@H](c1ccc(NC(=O)N2CCC[C@@H](CC#N)C2)cc1)[NH+]1CCOCC1 ZINC000596739612 506571788 /nfs/dbraw/zinc/57/17/88/506571788.db2.gz ZZSUBNWBFUTRDP-SJORKVTESA-N 1 1 356.470 3.237 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000603601928 506573316 /nfs/dbraw/zinc/57/33/16/506573316.db2.gz NSNYBWJNGJPTMJ-YLJYHZDGSA-N 1 1 363.461 3.106 20 30 FGEDMO CC(C)C[N@@H+](C)CCCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000593421705 506612099 /nfs/dbraw/zinc/61/20/99/506612099.db2.gz BLBYVXBQTMFRHP-UHFFFAOYSA-N 1 1 354.498 3.335 20 30 FGEDMO CCN(C(=O)NCC1(C#N)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593428599 506615387 /nfs/dbraw/zinc/61/53/87/506615387.db2.gz IATQOZNCEUXIKP-LJQANCHMSA-N 1 1 354.498 3.376 20 30 FGEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000603868599 506642010 /nfs/dbraw/zinc/64/20/10/506642010.db2.gz XDILIQFMCSMHOA-IBGZPJMESA-N 1 1 369.509 3.387 20 30 FGEDMO COc1cc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c(F)cc1C#N ZINC000599817066 506654065 /nfs/dbraw/zinc/65/40/65/506654065.db2.gz HWEPZBULTMXKBL-CYBMUJFWSA-N 1 1 362.449 3.338 20 30 FGEDMO CC(C)(NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000596956505 506699175 /nfs/dbraw/zinc/69/91/75/506699175.db2.gz XMIGDCCATKOUSC-FQEVSTJZSA-N 1 1 362.477 3.367 20 30 FGEDMO C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583314619 506711897 /nfs/dbraw/zinc/71/18/97/506711897.db2.gz LRDJYEQKVFNITP-KRWDZBQOSA-N 1 1 357.498 3.092 20 30 FGEDMO CC[N@@H+](CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC1 ZINC000608795358 506711985 /nfs/dbraw/zinc/71/19/85/506711985.db2.gz WUVLIUYDLQDLQV-UHFFFAOYSA-N 1 1 365.437 3.351 20 30 FGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000590191768 506761814 /nfs/dbraw/zinc/76/18/14/506761814.db2.gz KCOLDUCNOLEEHH-OAQYLSRUSA-N 1 1 361.489 3.421 20 30 FGEDMO C[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000609083014 506771453 /nfs/dbraw/zinc/77/14/53/506771453.db2.gz KZZVTGFSUUYCLL-OLZOCXBDSA-N 1 1 366.412 3.402 20 30 FGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2ccccc2n1CC#N ZINC000609166545 506802115 /nfs/dbraw/zinc/80/21/15/506802115.db2.gz FBHANNAJFHLKDJ-IXDOHACOSA-N 1 1 352.482 3.261 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233588 506822161 /nfs/dbraw/zinc/82/21/61/506822161.db2.gz GRTUCCKULYJLIE-IEBWSBKVSA-N 1 1 355.482 3.181 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233588 506822164 /nfs/dbraw/zinc/82/21/64/506822164.db2.gz GRTUCCKULYJLIE-IEBWSBKVSA-N 1 1 355.482 3.181 20 30 FGEDMO Cc1cc([C@@H]2CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)c(O)cc1Cl ZINC000597223894 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20 30 FGEDMO C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595617105 507593768 /nfs/dbraw/zinc/59/37/68/507593768.db2.gz ULUAAKXRWILXMF-OLZOCXBDSA-N 1 1 350.260 3.402 20 30 FGEDMO N#CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000595623303 507597149 /nfs/dbraw/zinc/59/71/49/507597149.db2.gz MEWFXQWEZYYQNT-CJNGLKHVSA-N 1 1 362.271 3.180 20 30 FGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000595623303 507597157 /nfs/dbraw/zinc/59/71/57/507597157.db2.gz MEWFXQWEZYYQNT-CJNGLKHVSA-N 1 1 362.271 3.180 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000585756287 507616628 /nfs/dbraw/zinc/61/66/28/507616628.db2.gz RHTXCFXMESNGBJ-DENIHFKCSA-N 1 1 369.509 3.441 20 30 FGEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000595671357 507620497 /nfs/dbraw/zinc/62/04/97/507620497.db2.gz RBPJPIXCVMKZJW-QAPCUYQASA-N 1 1 363.889 3.070 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000595685901 507627482 /nfs/dbraw/zinc/62/74/82/507627482.db2.gz KDEJMZOGYGAAIY-DYESRHJHSA-N 1 1 362.477 3.063 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CCO)c1 ZINC000595697545 507633825 /nfs/dbraw/zinc/63/38/25/507633825.db2.gz LQXIVNJFYZDDAK-AZUAARDMSA-N 1 1 357.498 3.033 20 30 FGEDMO C[C@@H](c1ccncc1)[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595726878 507650377 /nfs/dbraw/zinc/65/03/77/507650377.db2.gz SYWCQKOZBNQBNO-INIZCTEOSA-N 1 1 358.449 3.227 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595750873 507665312 /nfs/dbraw/zinc/66/53/12/507665312.db2.gz PGVVGQPNHHTIQA-FOIQADDNSA-N 1 1 373.522 3.256 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595750873 507665320 /nfs/dbraw/zinc/66/53/20/507665320.db2.gz PGVVGQPNHHTIQA-FOIQADDNSA-N 1 1 373.522 3.256 20 30 FGEDMO COc1cccc(OC)c1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000586778842 507668947 /nfs/dbraw/zinc/66/89/47/507668947.db2.gz XITPNCKYQGMHFN-UHFFFAOYSA-N 1 1 362.433 3.266 20 30 FGEDMO Cn1c(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)nnc1-c1ccccc1 ZINC000595765659 507674007 /nfs/dbraw/zinc/67/40/07/507674007.db2.gz SCYCZCGRLQTZEO-UHFFFAOYSA-N 1 1 373.460 3.149 20 30 FGEDMO N#Cc1cccc(C2([NH2+]Cc3c(F)cccc3[N+](=O)[O-])CCOCC2)c1 ZINC000595765969 507675105 /nfs/dbraw/zinc/67/51/05/507675105.db2.gz YFCSLHCMDCSQSY-UHFFFAOYSA-N 1 1 355.369 3.401 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(C#N)c1C ZINC000595785392 507683469 /nfs/dbraw/zinc/68/34/69/507683469.db2.gz FEMFWVHFTIESAR-NVXWUHKLSA-N 1 1 361.511 3.456 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(C#N)c1C ZINC000595785392 507683473 /nfs/dbraw/zinc/68/34/73/507683473.db2.gz FEMFWVHFTIESAR-NVXWUHKLSA-N 1 1 361.511 3.456 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)c1ccccc1 ZINC000595789434 507686599 /nfs/dbraw/zinc/68/65/99/507686599.db2.gz NMAYPUHUAHYJAA-ICSRJNTNSA-N 1 1 355.482 3.214 20 30 FGEDMO N#Cc1cnn2cc(C[N@@H+]3CCC[C@H]3Cc3cc(F)ccc3F)cnc12 ZINC000592516395 507690555 /nfs/dbraw/zinc/69/05/55/507690555.db2.gz MTZLBKIWIFLQMP-KRWDZBQOSA-N 1 1 353.376 3.086 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000611483686 507701948 /nfs/dbraw/zinc/70/19/48/507701948.db2.gz BNJZYCSHCDALMS-HXUWFJFHSA-N 1 1 350.466 3.443 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830198 507705753 /nfs/dbraw/zinc/70/57/53/507705753.db2.gz DNCQFSYHZHZDRI-GHTZIAJQSA-N 1 1 363.461 3.475 20 30 FGEDMO N#Cc1ccccc1-c1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595863195 507718427 /nfs/dbraw/zinc/71/84/27/507718427.db2.gz KUPKGJPKMXOJQD-JOCHJYFZSA-N 1 1 361.489 3.256 20 30 FGEDMO COc1cc(OC)c2ncc(C#N)c(N[C@H]3CC[N@@H+](CC4CC4)C3)c2c1 ZINC000587973671 507722091 /nfs/dbraw/zinc/72/20/91/507722091.db2.gz KQROEJBSHKPLDX-HNNXBMFYSA-N 1 1 352.438 3.020 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(N3C[C@@H]([NH+]4CCOCC4)C[C@@H]3C)c2c1 ZINC000588070247 507752080 /nfs/dbraw/zinc/75/20/80/507752080.db2.gz WJDLPGSMTVAVAM-HOCLYGCPSA-N 1 1 370.884 3.368 20 30 FGEDMO N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000739106873 600572029 /nfs/dbraw/zinc/57/20/29/600572029.db2.gz UKNXMJMUMODALR-QUCCMNQESA-N 1 1 355.482 3.272 20 30 FGEDMO CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)CC1 ZINC000736798236 600955258 /nfs/dbraw/zinc/95/52/58/600955258.db2.gz TVBQRYBDZOTLMG-AZUAARDMSA-N 1 1 355.482 3.128 20 30 FGEDMO CC[N@@H+](Cc1ccc(OC)c(-c2nn[nH]n2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000825435047 607488193 /nfs/dbraw/zinc/48/81/93/607488193.db2.gz KAAURZIUURBBHZ-CQSZACIVSA-N 1 1 362.437 3.330 20 30 FGEDMO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CCCC[C@H]2[NH+]2CCCCC2)o1 ZINC000820197041 606370100 /nfs/dbraw/zinc/37/01/00/606370100.db2.gz FCWJYZQRUFSIGS-CQSZACIVSA-N 1 1 372.477 3.175 20 30 FGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821109842 606963640 /nfs/dbraw/zinc/96/36/40/606963640.db2.gz QXTWNHGBFCDBEJ-UHFFFAOYSA-N 1 1 350.401 3.290 20 30 FGEDMO C=CC[N@@H+](Cc1c(C)nn(CCC)c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914719 608632189 /nfs/dbraw/zinc/63/21/89/608632189.db2.gz MIKDHHZPPYJDOP-UHFFFAOYSA-N 1 1 365.485 3.278 20 30 FGEDMO C=CC[N@H+](Cc1c(C)nn(CCC)c1C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914719 608632190 /nfs/dbraw/zinc/63/21/90/608632190.db2.gz MIKDHHZPPYJDOP-UHFFFAOYSA-N 1 1 365.485 3.278 20 30 FGEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823915437 608633867 /nfs/dbraw/zinc/63/38/67/608633867.db2.gz XWTAYTUCDNMIKJ-UHFFFAOYSA-N 1 1 371.448 3.445 20 30 FGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000121677992 700677711 /nfs/dbraw/zinc/67/77/11/700677711.db2.gz ULHXQWZSJMYBBI-VQTJNVASSA-N 1 1 355.869 3.256 20 30 FGEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)S(C)(=O)=O ZINC000123558413 700706752 /nfs/dbraw/zinc/70/67/52/700706752.db2.gz MIWZSIVGYHSDRU-UHFFFAOYSA-N 1 1 356.491 3.480 20 30 FGEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)S(C)(=O)=O ZINC000123558413 700706754 /nfs/dbraw/zinc/70/67/54/700706754.db2.gz MIWZSIVGYHSDRU-UHFFFAOYSA-N 1 1 356.491 3.480 20 30 FGEDMO C=CCn1c(-c2ccco2)nn(CN2CC[N@H+](C)C[C@H]2C(C)C)c1=S ZINC000153635578 705006652 /nfs/dbraw/zinc/00/66/52/705006652.db2.gz QCOADIBXOAWGHQ-HNNXBMFYSA-N 1 1 361.515 3.090 20 30 FGEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCCN(CC(F)F)CC2)c1O ZINC000159584858 705227944 /nfs/dbraw/zinc/22/79/44/705227944.db2.gz YMNYBNPJLGYFSU-UHFFFAOYSA-N 1 1 354.441 3.292 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175860549 705561960 /nfs/dbraw/zinc/56/19/60/705561960.db2.gz BFOYFVCEGBOXFJ-IRXDYDNUSA-N 1 1 363.527 3.178 20 30 FGEDMO C[C@H](NC(=[NH2+])NCc1n[nH]c(C2CC2)n1)c1ccc(Cl)cc1Cl ZINC000263200880 713740319 /nfs/dbraw/zinc/74/03/19/713740319.db2.gz XHRMMWLNOUAFLF-QMMMGPOBSA-N 1 1 353.257 3.154 20 30 FGEDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000328712901 713825577 /nfs/dbraw/zinc/82/55/77/713825577.db2.gz CNEMKQCNAGLKEQ-LBPRGKRZSA-N 1 1 357.435 3.080 20 30 FGEDMO [O-]C(=[NH+]CCc1cn2c([nH+]1)CCCC2)N1CCC(c2nccs2)CC1 ZINC000328751374 713825782 /nfs/dbraw/zinc/82/57/82/713825782.db2.gz NATQAGNSCKNCTE-UHFFFAOYSA-N 1 1 359.499 3.012 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3C#N)CC2)cc1 ZINC000480507988 714091345 /nfs/dbraw/zinc/09/13/45/714091345.db2.gz CBKGVIIQTWEBHP-UHFFFAOYSA-N 1 1 350.853 3.401 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1C#N ZINC000522880685 714210447 /nfs/dbraw/zinc/21/04/47/714210447.db2.gz PQKIWMPNBCAVBD-ZDUSSCGKSA-N 1 1 358.511 3.013 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000523654183 714245188 /nfs/dbraw/zinc/24/51/88/714245188.db2.gz RTXTUECSTHNSQW-CQSZACIVSA-N 1 1 351.853 3.248 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000523654183 714245191 /nfs/dbraw/zinc/24/51/91/714245191.db2.gz RTXTUECSTHNSQW-CQSZACIVSA-N 1 1 351.853 3.248 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000525615988 714362789 /nfs/dbraw/zinc/36/27/89/714362789.db2.gz SMHIMEIJNMLVCS-TZMCWYRMSA-N 1 1 356.388 3.483 20 30 FGEDMO CCn1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000616785529 714598577 /nfs/dbraw/zinc/59/85/77/714598577.db2.gz ZTVKVCNAQGAVIA-CYBMUJFWSA-N 1 1 356.495 3.389 20 30 FGEDMO CCn1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000616785529 714598579 /nfs/dbraw/zinc/59/85/79/714598579.db2.gz ZTVKVCNAQGAVIA-CYBMUJFWSA-N 1 1 356.495 3.389 20 30 FGEDMO OC[C@@]1([N@H+](CC#Cc2cccc(Cl)c2)Cc2ccccc2)CCOC1 ZINC000625391683 715720608 /nfs/dbraw/zinc/72/06/08/715720608.db2.gz JCCTYBIHDJBDFE-NRFANRHFSA-N 1 1 355.865 3.345 20 30 FGEDMO OC[C@@]1([N@@H+](CC#Cc2cccc(Cl)c2)Cc2ccccc2)CCOC1 ZINC000625391683 715720614 /nfs/dbraw/zinc/72/06/14/715720614.db2.gz JCCTYBIHDJBDFE-NRFANRHFSA-N 1 1 355.865 3.345 20 30 FGEDMO C[C@@H]1C[NH+]=C(NN=Cc2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000779795561 724427681 /nfs/dbraw/zinc/42/76/81/724427681.db2.gz VZRCBGDENODXBX-SNVBAGLBSA-N 1 1 363.284 3.449 20 30 FGEDMO C=CCOc1c(Cl)cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000628292550 716135591 /nfs/dbraw/zinc/13/55/91/716135591.db2.gz ITIOWQXQRUWSEN-LJQANCHMSA-N 1 1 350.890 3.441 20 30 FGEDMO C=CCCC(C)(C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000637621583 717351455 /nfs/dbraw/zinc/35/14/55/717351455.db2.gz QZRKMVZQDHQCCJ-JWTNVVGKSA-N 1 1 351.535 3.262 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000801921476 724346084 /nfs/dbraw/zinc/34/60/84/724346084.db2.gz DWLVXARYIIPYGK-IUODEOHRSA-N 1 1 370.234 3.357 20 30 FGEDMO COc1cc(C[NH2+]Cc2ccc(C#N)cn2)ccc1OCC(F)(F)F ZINC000780555086 724478850 /nfs/dbraw/zinc/47/88/50/724478850.db2.gz NJYQEVCRTIWDLH-UHFFFAOYSA-N 1 1 351.328 3.193 20 30 FGEDMO N#Cc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)nc1 ZINC000780556658 724479284 /nfs/dbraw/zinc/47/92/84/724479284.db2.gz OZMFIPIIKPAGDM-UHFFFAOYSA-N 1 1 374.238 3.167 20 30 FGEDMO N#Cc1cc(Cl)cc(Br)c1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804396172 724511740 /nfs/dbraw/zinc/51/17/40/724511740.db2.gz CWPLAAUUHMXSLJ-QWHCGFSZSA-N 1 1 370.678 3.249 20 30 FGEDMO CN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804564132 724529090 /nfs/dbraw/zinc/52/90/90/724529090.db2.gz MORGTMZPDMWGNC-SJPCQFCGSA-N 1 1 350.384 3.141 20 30 FGEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(Cl)c(C#N)n1)CC2 ZINC001164649131 719307787 /nfs/dbraw/zinc/30/77/87/719307787.db2.gz UMJDGUCUHHOHMX-UHFFFAOYSA-N 1 1 358.877 3.008 20 30 FGEDMO CC(C)c1ccc(C#N)c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164648081 719308182 /nfs/dbraw/zinc/30/81/82/719308182.db2.gz PXWCILTYLNTTPO-UHFFFAOYSA-N 1 1 366.513 3.478 20 30 FGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2C#N)CC3)cs1 ZINC001164691505 719803741 /nfs/dbraw/zinc/80/37/41/719803741.db2.gz IOCFADKPLVWSQT-UHFFFAOYSA-N 1 1 353.495 3.353 20 30 FGEDMO C=CCCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000660911605 720144271 /nfs/dbraw/zinc/14/42/71/720144271.db2.gz UURAGQHGAFAJDP-UHFFFAOYSA-N 1 1 366.303 3.289 20 30 FGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@@H](C)COC ZINC000661243872 720214784 /nfs/dbraw/zinc/21/47/84/720214784.db2.gz NQRAMVVBGJDWPD-LBPRGKRZSA-N 1 1 373.266 3.440 20 30 FGEDMO C=CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)C(C)(C)C ZINC000661754887 720314757 /nfs/dbraw/zinc/31/47/57/720314757.db2.gz FKPWWOTULKJCST-UHFFFAOYSA-N 1 1 351.878 3.023 20 30 FGEDMO Cc1ccc(CC#N)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164862454 721006780 /nfs/dbraw/zinc/00/67/80/721006780.db2.gz QKGJKTUZFOYRGK-MRXNPFEDSA-N 1 1 352.486 3.074 20 30 FGEDMO Cc1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(C#N)c1 ZINC001164910036 721747074 /nfs/dbraw/zinc/74/70/74/721747074.db2.gz ZBCGYJOZEKHPBH-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO Cc1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(C#N)c1 ZINC001164910036 721747072 /nfs/dbraw/zinc/74/70/72/721747072.db2.gz ZBCGYJOZEKHPBH-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1C#N ZINC001165028030 721803172 /nfs/dbraw/zinc/80/31/72/721803172.db2.gz XWZOFSVVVGPVGY-IOMROCGXSA-N 1 1 361.493 3.394 20 30 FGEDMO C=C(C)[C@H](CO)[NH+]1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000678049535 721935450 /nfs/dbraw/zinc/93/54/50/721935450.db2.gz LHCSTVZMXHVERN-ROUUACIJSA-N 1 1 367.331 3.455 20 30 FGEDMO N#Cc1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)c1 ZINC001164955542 722013207 /nfs/dbraw/zinc/01/32/07/722013207.db2.gz WJHRULLHQOLOPF-UHFFFAOYSA-N 1 1 367.884 3.494 20 30 FGEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)Cc3ccccc3CC#N)sc2C1 ZINC000784145493 724825630 /nfs/dbraw/zinc/82/56/30/724825630.db2.gz XVJCNLJBNHCYBV-UHFFFAOYSA-N 1 1 354.479 3.157 20 30 FGEDMO CC(C)[N@H+]1CCc2nc(NC(=O)Cc3ccccc3CC#N)sc2C1 ZINC000784145493 724825632 /nfs/dbraw/zinc/82/56/32/724825632.db2.gz XVJCNLJBNHCYBV-UHFFFAOYSA-N 1 1 354.479 3.157 20 30 FGEDMO COc1ccnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1C#N ZINC001164995821 722197057 /nfs/dbraw/zinc/19/70/57/722197057.db2.gz YGJDIHKGMDPIAH-OAQYLSRUSA-N 1 1 366.440 3.346 20 30 FGEDMO Cc1nc(C#N)cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995796 722212950 /nfs/dbraw/zinc/21/29/50/722212950.db2.gz KSEOYYRGYSIAKU-FQEVSTJZSA-N 1 1 351.429 3.041 20 30 FGEDMO C=C(Br)CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000726239284 722432308 /nfs/dbraw/zinc/43/23/08/722432308.db2.gz YRPYSNQRDUTECJ-ZFWWWQNUSA-N 1 1 352.276 3.030 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCc1ccccn1 ZINC000728915689 722455425 /nfs/dbraw/zinc/45/54/25/722455425.db2.gz JOYVNYNPGWIIDK-UHFFFAOYSA-N 1 1 356.857 3.500 20 30 FGEDMO C=C(Br)CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000729601984 722460972 /nfs/dbraw/zinc/46/09/72/722460972.db2.gz HTMUDQIHGFUMQH-UHFFFAOYSA-N 1 1 366.303 3.201 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000729811829 722462760 /nfs/dbraw/zinc/46/27/60/722462760.db2.gz CZMDNTPOEQBWTM-OLZOCXBDSA-N 1 1 356.249 3.402 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCc1ccc(Br)cc1F ZINC000729812141 722462804 /nfs/dbraw/zinc/46/28/04/722462804.db2.gz MZZYNQKGJZJDPP-OAHLLOKOSA-N 1 1 368.246 3.162 20 30 FGEDMO CCCCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000734264416 722505565 /nfs/dbraw/zinc/50/55/65/722505565.db2.gz VJHFHVOQZOYFOO-SFHVURJKSA-N 1 1 352.567 3.205 20 30 FGEDMO CCCCCCCCCNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000734264416 722505566 /nfs/dbraw/zinc/50/55/66/722505566.db2.gz VJHFHVOQZOYFOO-SFHVURJKSA-N 1 1 352.567 3.205 20 30 FGEDMO C[N@@H+](CCNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CC1 ZINC000740478654 722536295 /nfs/dbraw/zinc/53/62/95/722536295.db2.gz IHMBKYANFJHKSQ-UHFFFAOYSA-N 1 1 354.479 3.180 20 30 FGEDMO C#CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000741663385 722548148 /nfs/dbraw/zinc/54/81/48/722548148.db2.gz QNHXTGITIROGTO-LJQANCHMSA-N 1 1 356.853 3.385 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000752344051 722854551 /nfs/dbraw/zinc/85/45/51/722854551.db2.gz AJPZFXNCMNDDON-RDJZCZTQSA-N 1 1 350.384 3.119 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000752344051 722854553 /nfs/dbraw/zinc/85/45/53/722854553.db2.gz AJPZFXNCMNDDON-RDJZCZTQSA-N 1 1 350.384 3.119 20 30 FGEDMO C=C(Br)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755134006 722950570 /nfs/dbraw/zinc/95/05/70/722950570.db2.gz RNQURADYZVKSJT-OCCSQVGLSA-N 1 1 361.642 3.249 20 30 FGEDMO C=C(C)[C@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)OCC ZINC000755816974 722957362 /nfs/dbraw/zinc/95/73/62/722957362.db2.gz XSPIZGNGDDKGAG-SFHVURJKSA-N 1 1 365.905 3.402 20 30 FGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=S)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000756813295 722970400 /nfs/dbraw/zinc/97/04/00/722970400.db2.gz QDZKZPZLNNZIRN-ZDUSSCGKSA-N 1 1 350.919 3.476 20 30 FGEDMO C#CC[C@@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000757011674 722973284 /nfs/dbraw/zinc/97/32/84/722973284.db2.gz SLGSHYGNPSBERN-GOSISDBHSA-N 1 1 353.491 3.170 20 30 FGEDMO C#CC[C@@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000757011674 722973285 /nfs/dbraw/zinc/97/32/85/722973285.db2.gz SLGSHYGNPSBERN-GOSISDBHSA-N 1 1 353.491 3.170 20 30 FGEDMO C[C@H]1CC(N=Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)C[N@H+]1C ZINC000761810020 723186218 /nfs/dbraw/zinc/18/62/18/723186218.db2.gz QDOBRLSAAYTVBR-JTQLQIEISA-N 1 1 350.348 3.049 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)/C=C\c3cccs3)CC2)cc1 ZINC000790941533 723197005 /nfs/dbraw/zinc/19/70/05/723197005.db2.gz YSWJAYLUEQCSLP-HJWRWDBZSA-N 1 1 351.475 3.367 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3ccc(Br)cc3C2)cc1 ZINC000792892875 723378127 /nfs/dbraw/zinc/37/81/27/723378127.db2.gz UADAGHSCCRGGSV-SFHVURJKSA-N 1 1 357.251 3.412 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3ccc(Br)cc3C2)cc1 ZINC000792892875 723378131 /nfs/dbraw/zinc/37/81/31/723378131.db2.gz UADAGHSCCRGGSV-SFHVURJKSA-N 1 1 357.251 3.412 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=S)Nc1ccccc1C#N ZINC000764930621 723460310 /nfs/dbraw/zinc/46/03/10/723460310.db2.gz MSGRNXCZVNMHDL-DNVCBOLYSA-N 1 1 350.491 3.365 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000766530254 723578831 /nfs/dbraw/zinc/57/88/31/723578831.db2.gz XIGWYNYCSGBOND-KEYYUXOJSA-N 1 1 352.400 3.411 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000766530254 723578835 /nfs/dbraw/zinc/57/88/35/723578835.db2.gz XIGWYNYCSGBOND-KEYYUXOJSA-N 1 1 352.400 3.411 20 30 FGEDMO C[N@H+](CC(=O)OCC#Cc1ccc(Cl)cc1Cl)[C@@H]1CCSC1 ZINC000774371656 723886202 /nfs/dbraw/zinc/88/62/02/723886202.db2.gz UZQLKMCZWQMQDR-CQSZACIVSA-N 1 1 358.290 3.325 20 30 FGEDMO C[N@@H+](CC(=O)OCC#Cc1ccc(Cl)cc1Cl)[C@@H]1CCSC1 ZINC000774371656 723886203 /nfs/dbraw/zinc/88/62/03/723886203.db2.gz UZQLKMCZWQMQDR-CQSZACIVSA-N 1 1 358.290 3.325 20 30 FGEDMO CC(C)[C@H](C(=O)O[C@@H](C#N)Cc1ccc(F)cc1F)[NH+]1CCCCC1 ZINC000778709701 724356593 /nfs/dbraw/zinc/35/65/93/724356593.db2.gz BJWRKXBROIVFER-SJLPKXTDSA-N 1 1 350.409 3.453 20 30 FGEDMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCc1ccc(Cl)cc1C#N ZINC000789652423 725141161 /nfs/dbraw/zinc/14/11/61/725141161.db2.gz NVQMHXPWWBNBQZ-UHFFFAOYSA-N 1 1 352.822 3.125 20 30 FGEDMO C#CCOc1ccccc1CNc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000808411636 725199852 /nfs/dbraw/zinc/19/98/52/725199852.db2.gz FPSXJFVDBYGRMQ-UHFFFAOYSA-N 1 1 358.869 3.388 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](CC[C@H](O)c3ccccc3)CC2)c(Cl)c1 ZINC000808754071 725216164 /nfs/dbraw/zinc/21/61/64/725216164.db2.gz FEXVUIJUFYFVLB-FQEVSTJZSA-N 1 1 355.869 3.457 20 30 FGEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000810784705 725327453 /nfs/dbraw/zinc/32/74/53/725327453.db2.gz MRFWMRAGGZRLAI-TZIWHRDSSA-N 1 1 352.865 3.425 20 30 FGEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000810784705 725327455 /nfs/dbraw/zinc/32/74/55/725327455.db2.gz MRFWMRAGGZRLAI-TZIWHRDSSA-N 1 1 352.865 3.425 20 30 FGEDMO C=CCC(F)(F)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000815553978 727083681 /nfs/dbraw/zinc/08/36/81/727083681.db2.gz OPSCOABFYSDHMT-UHFFFAOYSA-N 1 1 357.470 3.245 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)Nc1cc(CC#N)ccn1)c1ccccc1Cl ZINC000871718628 735537920 /nfs/dbraw/zinc/53/79/20/735537920.db2.gz IOSCYROWWIXLFR-INIZCTEOSA-N 1 1 357.845 3.225 20 30 FGEDMO N#Cc1ccc(F)c(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000824713219 729356173 /nfs/dbraw/zinc/35/61/73/729356173.db2.gz BQWMWNHGFBGPMH-UHFFFAOYSA-N 1 1 355.438 3.498 20 30 FGEDMO C#CC[C@H]1CCC[N@H+](CCN2c3cccc4cccc(c34)S2(=O)=O)C1 ZINC000829794415 729512358 /nfs/dbraw/zinc/51/23/58/729512358.db2.gz XKDDQCUADTUWGT-INIZCTEOSA-N 1 1 354.475 3.084 20 30 FGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000829798662 729513036 /nfs/dbraw/zinc/51/30/36/729513036.db2.gz BYVIHRGUWPPDCP-HZPDHXFCSA-N 1 1 355.507 3.379 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(Cl)c1 ZINC000831576597 729652815 /nfs/dbraw/zinc/65/28/15/729652815.db2.gz IDKLERQKUINGOY-JSGCOSHPSA-N 1 1 371.790 3.054 20 30 FGEDMO O=C(C#Cc1cccs1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000832399681 729711195 /nfs/dbraw/zinc/71/11/95/729711195.db2.gz DZZCMZOTBFMMLP-NRFANRHFSA-N 1 1 350.487 3.224 20 30 FGEDMO C#C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Br)cc1 ZINC000833226473 729743530 /nfs/dbraw/zinc/74/35/30/729743530.db2.gz YMYWHMOOPBIQBG-PBHICJAKSA-N 1 1 372.266 3.007 20 30 FGEDMO C#C[C@H](NC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(Br)cc1 ZINC000833231618 729744187 /nfs/dbraw/zinc/74/41/87/729744187.db2.gz XZCCPLAQMHOHLR-HNNXBMFYSA-N 1 1 372.266 3.015 20 30 FGEDMO CC(=[NH+]N[C@@H]1CCOC1(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000835016995 729850051 /nfs/dbraw/zinc/85/00/51/729850051.db2.gz JIAMHRUKSQAXLJ-QGZVFWFLSA-N 1 1 351.878 3.058 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000836488677 729957545 /nfs/dbraw/zinc/95/75/45/729957545.db2.gz YSBFXYMUIBQZGZ-HNNXBMFYSA-N 1 1 351.903 3.131 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)Cc1sc(SC2CCCC2)nc1C ZINC000841439367 730243744 /nfs/dbraw/zinc/24/37/44/730243744.db2.gz NVAWOJZEGDBTAT-UHFFFAOYSA-N 1 1 365.568 3.100 20 30 FGEDMO N#Cc1csc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000842017201 730287665 /nfs/dbraw/zinc/28/76/65/730287665.db2.gz KCALSXYTAIXNER-UHFFFAOYSA-N 1 1 357.395 3.074 20 30 FGEDMO C#C[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000847026641 731008395 /nfs/dbraw/zinc/00/83/95/731008395.db2.gz QJBYBTHAIUEDQE-KBPBESRZSA-N 1 1 354.372 3.108 20 30 FGEDMO C#C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000847029581 731008983 /nfs/dbraw/zinc/00/89/83/731008983.db2.gz KSZMSHBVWJNVSA-LSDHHAIUSA-N 1 1 355.507 3.418 20 30 FGEDMO C#C[C@](C)(CC)[NH2+]Cc1nnnn1-c1ccc(Cl)cc1C(F)(F)F ZINC000852099456 731543652 /nfs/dbraw/zinc/54/36/52/731543652.db2.gz MKVPYAGEPHWXIK-CQSZACIVSA-N 1 1 357.767 3.226 20 30 FGEDMO CCCCCCCCCCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853842876 731761657 /nfs/dbraw/zinc/76/16/57/731761657.db2.gz HEOJHMLSYYCBMF-IBGZPJMESA-N 1 1 353.551 3.368 20 30 FGEDMO CC[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554325 732038239 /nfs/dbraw/zinc/03/82/39/732038239.db2.gz QZWBHDXEVNROBU-KRWDZBQOSA-N 1 1 356.495 3.120 20 30 FGEDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554325 732038243 /nfs/dbraw/zinc/03/82/43/732038243.db2.gz QZWBHDXEVNROBU-KRWDZBQOSA-N 1 1 356.495 3.120 20 30 FGEDMO CC(C)(C#N)CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000860049901 732440851 /nfs/dbraw/zinc/44/08/51/732440851.db2.gz JUXYUVZTKZXZQM-XGUBFFRZSA-N 1 1 357.420 3.047 20 30 FGEDMO C[N@@H+]1CCC(=NN[C@@H]2CCCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000863108191 732915034 /nfs/dbraw/zinc/91/50/34/732915034.db2.gz IMIYJKHEYWTBHT-IAGOWNOFSA-N 1 1 366.303 3.340 20 30 FGEDMO C[N@H+]1CCC(=NN[C@@H]2CCCOC2)C[C@@H]1c1ccc(Br)cc1 ZINC000863108191 732915035 /nfs/dbraw/zinc/91/50/35/732915035.db2.gz IMIYJKHEYWTBHT-IAGOWNOFSA-N 1 1 366.303 3.340 20 30 FGEDMO C[N@@H+]1CCC(=NN[C@@H]2CCC[C@H]2O)C[C@H]1c1ccc(Br)cc1 ZINC000863119072 732916602 /nfs/dbraw/zinc/91/66/02/732916602.db2.gz ISCCIPVBNGXHQI-IXDOHACOSA-N 1 1 366.303 3.075 20 30 FGEDMO C[N@H+]1CCC(=NN[C@@H]2CCC[C@H]2O)C[C@H]1c1ccc(Br)cc1 ZINC000863119072 732916605 /nfs/dbraw/zinc/91/66/05/732916605.db2.gz ISCCIPVBNGXHQI-IXDOHACOSA-N 1 1 366.303 3.075 20 30 FGEDMO C[C@@H](NC(=O)c1sccc1CC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867265032 733461621 /nfs/dbraw/zinc/46/16/21/733461621.db2.gz CONZFZMKRQGRHM-CRAIPNDOSA-N 1 1 353.491 3.455 20 30 FGEDMO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)CCc3cccc(C#N)c3)cc12 ZINC000877704974 736708690 /nfs/dbraw/zinc/70/86/90/736708690.db2.gz YVWCEVKJCPRTCF-UHFFFAOYSA-N 1 1 353.857 3.476 20 30 FGEDMO C=CCC1(O)CC[NH+](Cc2ccc(OC)c(OC)c2Br)CC1 ZINC000886761640 739293876 /nfs/dbraw/zinc/29/38/76/739293876.db2.gz IMXZCYWSOBCXDE-UHFFFAOYSA-N 1 1 370.287 3.369 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1)c1cccc(Cl)c1 ZINC000886834604 739309079 /nfs/dbraw/zinc/30/90/79/739309079.db2.gz AXJYTENFZFUJGL-CRAIPNDOSA-N 1 1 361.873 3.088 20 30 FGEDMO C=C(CC)Cn1cc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)sc2C)nn1 ZINC000887453428 739376323 /nfs/dbraw/zinc/37/63/23/739376323.db2.gz BDVZDNGDJBSFIZ-ZBFHGGJFSA-N 1 1 359.499 3.212 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000889234101 739644794 /nfs/dbraw/zinc/64/47/94/739644794.db2.gz AZGKFJLQHSTKJV-RDJZCZTQSA-N 1 1 355.829 3.174 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000889234101 739644800 /nfs/dbraw/zinc/64/48/00/739644800.db2.gz AZGKFJLQHSTKJV-RDJZCZTQSA-N 1 1 355.829 3.174 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(SC)c(C#N)c2)C[C@@H]1C ZINC000890452002 739800806 /nfs/dbraw/zinc/80/08/06/739800806.db2.gz HMCHZXRBUBMUSE-WMLDXEAASA-N 1 1 360.527 3.294 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(SC)c(C#N)c2)[C@H](C)C1 ZINC000890451690 739800860 /nfs/dbraw/zinc/80/08/60/739800860.db2.gz CYNYFNZBMRUAPF-RHSMWYFYSA-N 1 1 360.527 3.152 20 30 FGEDMO N#Cc1cc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cs1 ZINC000891861080 739944602 /nfs/dbraw/zinc/94/46/02/739944602.db2.gz ROJPKTXAFNZUKP-UHFFFAOYSA-N 1 1 351.435 3.444 20 30 FGEDMO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1nc(C#N)cs1 ZINC000897629184 742697450 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353.344 3.042 20 30 FGEDMO CC(C)[C@@H](O)CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940190 761279592 /nfs/dbraw/zinc/27/95/92/761279592.db2.gz OGAJHQQLSJCHIG-AEJSXWLSSA-N 1 1 369.296 3.496 20 30 FGEDMO Cc1csc(C[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000933127855 761323417 /nfs/dbraw/zinc/32/34/17/761323417.db2.gz LNNDUTYBOXCFKV-JKSUJKDBSA-N 1 1 360.527 3.047 20 30 FGEDMO C[C@]12C[N@@H+](CC(=O)Nc3ccccc3SCC#N)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933705730 761457319 /nfs/dbraw/zinc/45/73/19/761457319.db2.gz MLAATCJURMZYRA-KSVNGYGVSA-N 1 1 353.491 3.385 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCN1c1ccccc1 ZINC000934323364 761594753 /nfs/dbraw/zinc/59/47/53/761594753.db2.gz PCTCHZSCCKZRJW-OAHLLOKOSA-N 1 1 354.479 3.159 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000960919782 762743876 /nfs/dbraw/zinc/74/38/76/762743876.db2.gz RHEHZGWKGNJWQV-ZYSHUDEJSA-N 1 1 357.523 3.479 20 30 FGEDMO C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC1)C1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000970563335 762879796 /nfs/dbraw/zinc/87/97/96/762879796.db2.gz RZXSLSIXMIXSDQ-VOBQZIQPSA-N 1 1 356.897 3.174 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2Cl)C1 ZINC000971556670 762912583 /nfs/dbraw/zinc/91/25/83/762912583.db2.gz UILYAQKMIZVQNN-SCTDSRPQSA-N 1 1 362.901 3.354 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2Cl)C1 ZINC000971556670 762912585 /nfs/dbraw/zinc/91/25/85/762912585.db2.gz UILYAQKMIZVQNN-SCTDSRPQSA-N 1 1 362.901 3.354 20 30 FGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000971710918 762922485 /nfs/dbraw/zinc/92/24/85/762922485.db2.gz XCRCOXFPCZPONX-QRVBRYPASA-N 1 1 362.901 3.440 20 30 FGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000971710918 762922489 /nfs/dbraw/zinc/92/24/89/762922489.db2.gz XCRCOXFPCZPONX-QRVBRYPASA-N 1 1 362.901 3.440 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C)C1 ZINC000972372131 762958923 /nfs/dbraw/zinc/95/89/23/762958923.db2.gz CUAFCWSPUPCNQV-QRVBRYPASA-N 1 1 362.901 3.272 20 30 FGEDMO C#CC[N@H+]1C[C@H](NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C(C)(C)C1 ZINC000974604309 763035745 /nfs/dbraw/zinc/03/57/45/763035745.db2.gz QHLMCDLUEKBVBV-XJCPWDRGSA-N 1 1 356.432 3.061 20 30 FGEDMO CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C(C)(C)C1 ZINC000974975422 763073799 /nfs/dbraw/zinc/07/37/99/763073799.db2.gz UHXQFUQAAFCTHP-NFAWXSAZSA-N 1 1 350.915 3.355 20 30 FGEDMO CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)C2)C1 ZINC000982064857 763554047 /nfs/dbraw/zinc/55/40/47/763554047.db2.gz ZQEXLKYMXDSQIQ-RBUKOAKNSA-N 1 1 356.897 3.391 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001004575330 765438995 /nfs/dbraw/zinc/43/89/95/765438995.db2.gz HHUKWXZXYHKAHS-YZOCCCIJSA-N 1 1 366.933 3.423 20 30 FGEDMO 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FGEDMO Cc1nc(SCC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c(C#N)c(C)c1C ZINC000119572158 495193211 /nfs/dbraw/zinc/19/32/11/495193211.db2.gz CNMIPILHYSJZPX-KRWDZBQOSA-N 1 1 374.554 3.065 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c(C#N)c1C ZINC000134740928 495194095 /nfs/dbraw/zinc/19/40/95/495194095.db2.gz YIDZBNFNECXRCU-DZGCQCFKSA-N 1 1 358.486 3.044 20 30 FGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000103139188 495197680 /nfs/dbraw/zinc/19/76/80/495197680.db2.gz HYNFOVBFRRHSLC-UHFFFAOYSA-N 1 1 351.425 3.226 20 30 FGEDMO Cc1noc(CN2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)n1 ZINC000103466925 495236171 /nfs/dbraw/zinc/23/61/71/495236171.db2.gz LEBLFUPXABRFTF-UHFFFAOYSA-N 1 1 373.460 3.235 20 30 FGEDMO Cn1c(C2CCCC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000571603579 505770185 /nfs/dbraw/zinc/77/01/85/505770185.db2.gz SXLGYVDEHXXZSL-UHFFFAOYSA-N 1 1 364.497 3.057 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)cc1C#N ZINC000135196023 495261970 /nfs/dbraw/zinc/26/19/70/495261970.db2.gz KPXNPGYWYNWVEX-KRWDZBQOSA-N 1 1 364.449 3.121 20 30 FGEDMO COC(=O)c1oc([C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1C ZINC000580493113 505770959 /nfs/dbraw/zinc/77/09/59/505770959.db2.gz AACPOBKQARVBAH-HNNXBMFYSA-N 1 1 356.422 3.456 20 30 FGEDMO COc1ccc(C[N@@H+](CCO)Cc2ccccc2C(C)(C)C#N)c(OC)c1 ZINC000135219824 495265095 /nfs/dbraw/zinc/26/50/95/495265095.db2.gz AKRZTLFJRRLJBJ-UHFFFAOYSA-N 1 1 368.477 3.499 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000135227782 495265299 /nfs/dbraw/zinc/26/52/99/495265299.db2.gz ALTCVOJNWBWFKU-UHFFFAOYSA-N 1 1 364.405 3.460 20 30 FGEDMO COC(=O)c1oc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1C ZINC000580493114 505771309 /nfs/dbraw/zinc/77/13/09/505771309.db2.gz AACPOBKQARVBAH-OAHLLOKOSA-N 1 1 356.422 3.456 20 30 FGEDMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000129643266 495274173 /nfs/dbraw/zinc/27/41/73/495274173.db2.gz SQDMDBSSFHMOQO-UHFFFAOYSA-N 1 1 372.476 3.160 20 30 FGEDMO CC(C)(C)c1ncc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)s1 ZINC000129686440 495281460 /nfs/dbraw/zinc/28/14/60/495281460.db2.gz KUPGMMJRYRNGMG-UHFFFAOYSA-N 1 1 355.511 3.420 20 30 FGEDMO CC(C)(C)c1ncc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)s1 ZINC000129686440 495281461 /nfs/dbraw/zinc/28/14/61/495281461.db2.gz KUPGMMJRYRNGMG-UHFFFAOYSA-N 1 1 355.511 3.420 20 30 FGEDMO C[C@H]([C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1)S(C)(=O)=O ZINC000113257088 495290016 /nfs/dbraw/zinc/29/00/16/495290016.db2.gz UMGJCKANTPDRJJ-JKSUJKDBSA-N 1 1 356.491 3.479 20 30 FGEDMO C[C@H]([C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1)S(C)(=O)=O ZINC000113257088 495290019 /nfs/dbraw/zinc/29/00/19/495290019.db2.gz UMGJCKANTPDRJJ-JKSUJKDBSA-N 1 1 356.491 3.479 20 30 FGEDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000113257090 495290354 /nfs/dbraw/zinc/29/03/54/495290354.db2.gz UMGJCKANTPDRJJ-HZPDHXFCSA-N 1 1 356.491 3.479 20 30 FGEDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000113257090 495290358 /nfs/dbraw/zinc/29/03/58/495290358.db2.gz UMGJCKANTPDRJJ-HZPDHXFCSA-N 1 1 356.491 3.479 20 30 FGEDMO Cc1cc[nH+]c(N2CCN(c3ccc(C#N)cc3Br)CC2)c1 ZINC000120252575 495336424 /nfs/dbraw/zinc/33/64/24/495336424.db2.gz HSIQHFMYLGYCDE-UHFFFAOYSA-N 1 1 357.255 3.351 20 30 FGEDMO CCOC[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000113997912 495342175 /nfs/dbraw/zinc/34/21/75/495342175.db2.gz MYLVQKONDHZAJQ-INIZCTEOSA-N 1 1 363.889 3.335 20 30 FGEDMO CC[N@@H+](CC(=O)NCC#N)[C@@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000130240569 495361068 /nfs/dbraw/zinc/36/10/68/495361068.db2.gz ZFQITMBVZOLBNJ-INIZCTEOSA-N 1 1 351.450 3.385 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C12CCC2 ZINC000577695270 505777225 /nfs/dbraw/zinc/77/72/25/505777225.db2.gz DANBCHXQNNYSOO-VAMGGRTRSA-N 1 1 367.493 3.333 20 30 FGEDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)c1 ZINC000120563892 495405966 /nfs/dbraw/zinc/40/59/66/495405966.db2.gz MRBUFAFABIVIJF-HXUWFJFHSA-N 1 1 368.477 3.412 20 30 FGEDMO C[N@@H+](Cc1ccccc1NC(=O)N1CCO[C@@H](C#N)C1)C1CCCCC1 ZINC000106316929 495444359 /nfs/dbraw/zinc/44/43/59/495444359.db2.gz TUWNYSCXYSEROO-SFHVURJKSA-N 1 1 356.470 3.207 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000130833967 495452768 /nfs/dbraw/zinc/45/27/68/495452768.db2.gz AWSFQRLZIOOYQG-SJORKVTESA-N 1 1 367.497 3.059 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000130833967 495452772 /nfs/dbraw/zinc/45/27/72/495452772.db2.gz AWSFQRLZIOOYQG-SJORKVTESA-N 1 1 367.497 3.059 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000130833967 495452777 /nfs/dbraw/zinc/45/27/77/495452777.db2.gz AWSFQRLZIOOYQG-SJORKVTESA-N 1 1 367.497 3.059 20 30 FGEDMO COCc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)o1 ZINC000131267964 495515047 /nfs/dbraw/zinc/51/50/47/495515047.db2.gz MAEIZYMXTHTFHK-GOSISDBHSA-N 1 1 353.422 3.463 20 30 FGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131274837 495515706 /nfs/dbraw/zinc/51/57/06/495515706.db2.gz ZVLNZQVYEZBWCJ-LZQZEXGQSA-N 1 1 373.497 3.217 20 30 FGEDMO CC#CCCCC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000185467546 495588401 /nfs/dbraw/zinc/58/84/01/495588401.db2.gz FQEKLCGLTCXFPV-UHFFFAOYSA-N 1 1 371.525 3.323 20 30 FGEDMO C[C@H](c1ccsc1)[NH+]1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000185469386 495589723 /nfs/dbraw/zinc/58/97/23/495589723.db2.gz NVKPRDLOOLOISH-MRXNPFEDSA-N 1 1 368.506 3.327 20 30 FGEDMO Cc1nnc(Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)c(C#N)c1C ZINC000150848804 495655019 /nfs/dbraw/zinc/65/50/19/495655019.db2.gz LCPVWOZWTZJVHB-OKILXGFUSA-N 1 1 351.454 3.318 20 30 FGEDMO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nnc2ccccn21 ZINC000182730787 495680656 /nfs/dbraw/zinc/68/06/56/495680656.db2.gz NINLALYRPZBOSC-CYBMUJFWSA-N 1 1 360.339 3.330 20 30 FGEDMO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc(C#N)c1 ZINC000182757881 495692016 /nfs/dbraw/zinc/69/20/16/495692016.db2.gz IKVKPTRBQHRGSI-UHFFFAOYSA-N 1 1 360.417 3.210 20 30 FGEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000182853025 495728380 /nfs/dbraw/zinc/72/83/80/495728380.db2.gz SXRRNXXAJNSMFR-OAHLLOKOSA-N 1 1 364.371 3.489 20 30 FGEDMO CCOC(=O)C1([N@@H+](C)CCC(=O)Nc2sccc2C#N)CCCCC1 ZINC000151221347 495776160 /nfs/dbraw/zinc/77/61/60/495776160.db2.gz HMJXEPGQQTWQED-UHFFFAOYSA-N 1 1 363.483 3.146 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CCCOC2)ccc1Cl ZINC000174140327 495835404 /nfs/dbraw/zinc/83/54/04/495835404.db2.gz BZYOWSDUOJRICE-MRXNPFEDSA-N 1 1 363.889 3.254 20 30 FGEDMO C=C(C)COCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000151532464 495869472 /nfs/dbraw/zinc/86/94/72/495869472.db2.gz YENMGMXKALIVCW-ICSRJNTNSA-N 1 1 359.514 3.274 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000180168524 495889748 /nfs/dbraw/zinc/88/97/48/495889748.db2.gz XGLHOWMANORSON-VQTJNVASSA-N 1 1 363.461 3.277 20 30 FGEDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(C#N)c3)CC[N@H+]2C2CC2)c1 ZINC000183233110 495890276 /nfs/dbraw/zinc/89/02/76/495890276.db2.gz MSHOBZSQRBIUPU-NHCUHLMSSA-N 1 1 361.445 3.275 20 30 FGEDMO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000183260467 495904913 /nfs/dbraw/zinc/90/49/13/495904913.db2.gz AUZBOXRJWNOGBO-RTWAWAEBSA-N 1 1 361.445 3.275 20 30 FGEDMO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000155293979 495907155 /nfs/dbraw/zinc/90/71/55/495907155.db2.gz NIVWXPZSBSVPFT-MRXNPFEDSA-N 1 1 353.491 3.458 20 30 FGEDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000155293979 495907159 /nfs/dbraw/zinc/90/71/59/495907159.db2.gz NIVWXPZSBSVPFT-MRXNPFEDSA-N 1 1 353.491 3.458 20 30 FGEDMO CCSc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000186267094 495920765 /nfs/dbraw/zinc/92/07/65/495920765.db2.gz QEWICFYZUNELPW-HNNXBMFYSA-N 1 1 353.495 3.171 20 30 FGEDMO CCSc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000186267094 495920769 /nfs/dbraw/zinc/92/07/69/495920769.db2.gz QEWICFYZUNELPW-HNNXBMFYSA-N 1 1 353.495 3.171 20 30 FGEDMO C=CCN(C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000155481384 495969922 /nfs/dbraw/zinc/96/99/22/495969922.db2.gz YUXFUCGWGNSPRB-UHFFFAOYSA-N 1 1 366.303 3.241 20 30 FGEDMO COc1cc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1O ZINC000174537576 495999620 /nfs/dbraw/zinc/99/96/20/495999620.db2.gz QBXXWGYAIHVGLZ-UHFFFAOYSA-N 1 1 373.840 3.386 20 30 FGEDMO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)CC1 ZINC000171741864 496016173 /nfs/dbraw/zinc/01/61/73/496016173.db2.gz KXTMHQURQXCFFA-LJQANCHMSA-N 1 1 367.497 3.368 20 30 FGEDMO C=CCN(CC=C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183765539 496108630 /nfs/dbraw/zinc/10/86/30/496108630.db2.gz WICGTWLXKGNKGO-VQTJNVASSA-N 1 1 355.482 3.357 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(Cl)c1Cl ZINC000183767225 496110018 /nfs/dbraw/zinc/11/00/18/496110018.db2.gz DZWTWCSHFUEFPS-GFCCVEGCSA-N 1 1 353.253 3.300 20 30 FGEDMO COc1ccc(C#N)cc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183916318 496160358 /nfs/dbraw/zinc/16/03/58/496160358.db2.gz VLJYTQOTRPUWIX-MRXNPFEDSA-N 1 1 361.239 3.153 20 30 FGEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000183919948 496161758 /nfs/dbraw/zinc/16/17/58/496161758.db2.gz DVWVDUSBWSTHOR-INIZCTEOSA-N 1 1 361.239 3.153 20 30 FGEDMO C=CC[C@@H]1N(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CCCC1(C)C ZINC000569025802 505832490 /nfs/dbraw/zinc/83/24/90/505832490.db2.gz DFHYARXOZSRDEN-INIZCTEOSA-N 1 1 354.454 3.175 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@H](O)C2CC2)c1C#N ZINC000156609126 496291892 /nfs/dbraw/zinc/29/18/92/496291892.db2.gz PMUKWBQUTYQSGU-IBGZPJMESA-N 1 1 372.513 3.123 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)C[C@H](O)C2CC2)c1C#N ZINC000156609126 496291901 /nfs/dbraw/zinc/29/19/01/496291901.db2.gz PMUKWBQUTYQSGU-IBGZPJMESA-N 1 1 372.513 3.123 20 30 FGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178041815 496301745 /nfs/dbraw/zinc/30/17/45/496301745.db2.gz GDDOEWABNODXPW-INIZCTEOSA-N 1 1 351.425 3.339 20 30 FGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178041815 496301753 /nfs/dbraw/zinc/30/17/53/496301753.db2.gz GDDOEWABNODXPW-INIZCTEOSA-N 1 1 351.425 3.339 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1nccc(C#N)c1[N+](=O)[O-] ZINC000184360531 496351416 /nfs/dbraw/zinc/35/14/16/496351416.db2.gz PTINRFWKKFHFEJ-QGZVFWFLSA-N 1 1 353.426 3.430 20 30 FGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157080315 496400951 /nfs/dbraw/zinc/40/09/51/496400951.db2.gz MHVUCZMTWSQSAV-HOTGVXAUSA-N 1 1 363.889 3.191 20 30 FGEDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000178292349 496401299 /nfs/dbraw/zinc/40/12/99/496401299.db2.gz HCLMQZUIMKFJSQ-MRXNPFEDSA-N 1 1 372.490 3.424 20 30 FGEDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000178292349 496401304 /nfs/dbraw/zinc/40/13/04/496401304.db2.gz HCLMQZUIMKFJSQ-MRXNPFEDSA-N 1 1 372.490 3.424 20 30 FGEDMO C=CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000578017454 505842819 /nfs/dbraw/zinc/84/28/19/505842819.db2.gz ACDCJJAQYCTVFH-GOSISDBHSA-N 1 1 367.497 3.024 20 30 FGEDMO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1nc(-c2ccccc2)cs1 ZINC000184523392 496423225 /nfs/dbraw/zinc/42/32/25/496423225.db2.gz UCMZUUFNWMWMNX-ORAYPTAESA-N 1 1 354.479 3.269 20 30 FGEDMO CCN(CCC#N)C(=O)C[NH2+]C(C)(C)c1ccccc1Br ZINC000181512477 496426423 /nfs/dbraw/zinc/42/64/23/496426423.db2.gz XXTGPQXXRBPZAY-UHFFFAOYSA-N 1 1 352.276 3.036 20 30 FGEDMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000187533631 496480899 /nfs/dbraw/zinc/48/08/99/496480899.db2.gz GQMWFMYLSUPSDR-SIKLNZKXSA-N 1 1 371.525 3.423 20 30 FGEDMO C=CCc1ccc(OCC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000163253166 496488155 /nfs/dbraw/zinc/48/81/55/496488155.db2.gz HKFOVRKICRCYKB-IBGZPJMESA-N 1 1 374.525 3.287 20 30 FGEDMO COC(=O)CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(C#N)ccc1OC ZINC000163384494 496507235 /nfs/dbraw/zinc/50/72/35/496507235.db2.gz IGMHZAAHRFZFKG-UHFFFAOYSA-N 1 1 374.387 3.410 20 30 FGEDMO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(C#N)ccc1OC ZINC000163384494 496507239 /nfs/dbraw/zinc/50/72/39/496507239.db2.gz IGMHZAAHRFZFKG-UHFFFAOYSA-N 1 1 374.387 3.410 20 30 FGEDMO CCc1ccc([C@H](COC)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000184798924 496536169 /nfs/dbraw/zinc/53/61/69/496536169.db2.gz GADBCQXOIPRFFM-MOPGFXCFSA-N 1 1 367.449 3.186 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)N2CC[NH+](CCOC(C)C)CC2)c1 ZINC000175817190 496557333 /nfs/dbraw/zinc/55/73/33/496557333.db2.gz ZMOQWRPONUWEGA-UHFFFAOYSA-N 1 1 361.486 3.216 20 30 FGEDMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000154008631 496652461 /nfs/dbraw/zinc/65/24/61/496652461.db2.gz NSLSORTVWXGGOH-DLBZAZTESA-N 1 1 361.873 3.430 20 30 FGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000154008631 496652468 /nfs/dbraw/zinc/65/24/68/496652468.db2.gz NSLSORTVWXGGOH-DLBZAZTESA-N 1 1 361.873 3.430 20 30 FGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188072717 496672114 /nfs/dbraw/zinc/67/21/14/496672114.db2.gz ZAUYDAVWALECHY-UHFFFAOYSA-N 1 1 363.461 3.248 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@H+](C[C@H](O)CCc3ccccc3)CC2)cc1 ZINC000182161838 496692377 /nfs/dbraw/zinc/69/23/77/496692377.db2.gz ZRAGKWMSABIQQY-HSZRJFAPSA-N 1 1 363.505 3.060 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179157974 496696782 /nfs/dbraw/zinc/69/67/82/496696782.db2.gz ZQHDOKJVEXLYCS-FPOVZHCZSA-N 1 1 365.477 3.496 20 30 FGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000194857229 496737936 /nfs/dbraw/zinc/73/79/36/496737936.db2.gz ZHZUFELZNANEJZ-FQEVSTJZSA-N 1 1 368.437 3.019 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000195177600 496842380 /nfs/dbraw/zinc/84/23/80/496842380.db2.gz IFTPCRVLDKZXRP-QAPCUYQASA-N 1 1 351.454 3.193 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@]4(CCOC4)C3)sc2C1 ZINC000247459282 496863235 /nfs/dbraw/zinc/86/32/35/496863235.db2.gz UGVAKBOFDBTOHI-VBKZILBWSA-N 1 1 373.522 3.186 20 30 FGEDMO CCCNC(=O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191772501 496884039 /nfs/dbraw/zinc/88/40/39/496884039.db2.gz PGBHMCWZEINTTC-UHFFFAOYSA-N 1 1 364.287 3.059 20 30 FGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000247731103 496910609 /nfs/dbraw/zinc/91/06/09/496910609.db2.gz UQUBLYBELQVVRF-QAPCUYQASA-N 1 1 357.479 3.072 20 30 FGEDMO C#CC[NH+]1CCC(c2nc(Cn3c4ccccc4nc3C(C)C)no2)CC1 ZINC000277904803 496929356 /nfs/dbraw/zinc/92/93/56/496929356.db2.gz LSELGQSEJVVMRD-UHFFFAOYSA-N 1 1 363.465 3.404 20 30 FGEDMO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(C#N)cc1 ZINC000269393657 496937003 /nfs/dbraw/zinc/93/70/03/496937003.db2.gz AYSIITTUUNKHCD-QSFXBCCZSA-N 1 1 352.482 3.278 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000248030809 496945334 /nfs/dbraw/zinc/94/53/34/496945334.db2.gz KINICJXDSWITKQ-AZUAARDMSA-N 1 1 351.475 3.212 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189137341 497020079 /nfs/dbraw/zinc/02/00/79/497020079.db2.gz XZDHNSAIGHRQPO-UTKZUKDTSA-N 1 1 359.473 3.227 20 30 FGEDMO N#C[C@@H](NC(=O)CCCC[NH+]1CCOCC1)c1c(Cl)cccc1Cl ZINC000264960363 497020717 /nfs/dbraw/zinc/02/07/17/497020717.db2.gz MBXSGGAXSATVSA-OAHLLOKOSA-N 1 1 370.280 3.177 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189147791 497024278 /nfs/dbraw/zinc/02/42/78/497024278.db2.gz ZIOHGFSPDBREQS-QGZVFWFLSA-N 1 1 359.495 3.132 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cccc(F)c1C#N)C1CC1 ZINC000189173757 497033408 /nfs/dbraw/zinc/03/34/08/497033408.db2.gz SESASBFDCDYRNV-FQEVSTJZSA-N 1 1 351.425 3.338 20 30 FGEDMO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(Cl)c3F)C2=O)cc1 ZINC000192242546 497046009 /nfs/dbraw/zinc/04/60/09/497046009.db2.gz RGGLKMWEIFQKOO-KRWDZBQOSA-N 1 1 357.816 3.241 20 30 FGEDMO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000248636816 497066910 /nfs/dbraw/zinc/06/69/10/497066910.db2.gz VYSBBSWDLWZWJO-OALUTQOASA-N 1 1 365.433 3.240 20 30 FGEDMO COCc1ccc([C@@H]2CCC[N@H+]2[C@H]2CCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000248636816 497066916 /nfs/dbraw/zinc/06/69/16/497066916.db2.gz VYSBBSWDLWZWJO-OALUTQOASA-N 1 1 365.433 3.240 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000248980281 497144532 /nfs/dbraw/zinc/14/45/32/497144532.db2.gz IQDLNLIYAUFJOZ-JKSUJKDBSA-N 1 1 358.388 3.066 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCSC[C@H](C)C1 ZINC000248999825 497149593 /nfs/dbraw/zinc/14/95/93/497149593.db2.gz IIGDDMPSDQYEID-HZPDHXFCSA-N 1 1 361.511 3.015 20 30 FGEDMO C[C@@H](O)C[N@@H+](C1CCCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192574062 497153797 /nfs/dbraw/zinc/15/37/97/497153797.db2.gz SJDJUWMDXUWQTC-OXQOHEQNSA-N 1 1 355.482 3.069 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1cccs1 ZINC000249077437 497160620 /nfs/dbraw/zinc/16/06/20/497160620.db2.gz KYUSIADBDTWNJV-QAPCUYQASA-N 1 1 355.463 3.138 20 30 FGEDMO C=CCC[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)c1ccccc1 ZINC000249081518 497162218 /nfs/dbraw/zinc/16/22/18/497162218.db2.gz DBKIHJYHLGZYJE-PKOBYXMFSA-N 1 1 359.514 3.181 20 30 FGEDMO C=CCn1c(COc2ccccc2F)nnc1SCCn1cc[nH+]c1C ZINC000270619499 497163604 /nfs/dbraw/zinc/16/36/04/497163604.db2.gz DBVSTBUZUQRCRF-UHFFFAOYSA-N 1 1 373.457 3.479 20 30 FGEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000278702111 497194025 /nfs/dbraw/zinc/19/40/25/497194025.db2.gz TVKYSTPUYHOGDW-XJKSGUPXSA-N 1 1 351.372 3.155 20 30 FGEDMO CC(C)(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000266005128 497229281 /nfs/dbraw/zinc/22/92/81/497229281.db2.gz FROCHGAWQVNXFT-UHFFFAOYSA-N 1 1 366.465 3.192 20 30 FGEDMO CC(C)(C)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000266005128 497229284 /nfs/dbraw/zinc/22/92/84/497229284.db2.gz FROCHGAWQVNXFT-UHFFFAOYSA-N 1 1 366.465 3.192 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249682682 497232099 /nfs/dbraw/zinc/23/20/99/497232099.db2.gz GFRXEAVMYMPNOE-JKSUJKDBSA-N 1 1 369.444 3.064 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249682682 497232104 /nfs/dbraw/zinc/23/21/04/497232104.db2.gz GFRXEAVMYMPNOE-JKSUJKDBSA-N 1 1 369.444 3.064 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000249689540 497233083 /nfs/dbraw/zinc/23/30/83/497233083.db2.gz WRGADAJNKWXPMV-ZWKOTPCHSA-N 1 1 365.481 3.233 20 30 FGEDMO CC(C)[N@H+]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000270990110 497241450 /nfs/dbraw/zinc/24/14/50/497241450.db2.gz HGFKDMNVRDLEMW-UHFFFAOYSA-N 1 1 351.498 3.380 20 30 FGEDMO C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000249855442 497252732 /nfs/dbraw/zinc/25/27/32/497252732.db2.gz QAWHJEFDNUKRTR-SVMVAKDDSA-N 1 1 374.525 3.141 20 30 FGEDMO Cc1csc([C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000249853849 497252786 /nfs/dbraw/zinc/25/27/86/497252786.db2.gz CPYFVWVPMDRSPJ-CVEARBPZSA-N 1 1 360.527 3.362 20 30 FGEDMO Cc1csc([C@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000249853849 497252789 /nfs/dbraw/zinc/25/27/89/497252789.db2.gz CPYFVWVPMDRSPJ-CVEARBPZSA-N 1 1 360.527 3.362 20 30 FGEDMO Cc1cccc2nc(C3CC[NH+](CC(=O)N[C@](C)(C#N)C4CC4)CC3)oc21 ZINC000189816550 497255036 /nfs/dbraw/zinc/25/50/36/497255036.db2.gz NRRIZTQLBVHMEN-OAQYLSRUSA-N 1 1 366.465 3.124 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000574979963 505896727 /nfs/dbraw/zinc/89/67/27/505896727.db2.gz WQJDJSNVNQBZPT-HNNXBMFYSA-N 1 1 351.410 3.053 20 30 FGEDMO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000251988115 497292945 /nfs/dbraw/zinc/29/29/45/497292945.db2.gz VUAPIXAKXUINBS-BEFAXECRSA-N 1 1 361.511 3.256 20 30 FGEDMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000251988115 497292950 /nfs/dbraw/zinc/29/29/50/497292950.db2.gz VUAPIXAKXUINBS-BEFAXECRSA-N 1 1 361.511 3.256 20 30 FGEDMO C=CC[N@H+](CC(=O)NCc1cccc(COCc2ccco2)c1)C1CC1 ZINC000271497109 497364510 /nfs/dbraw/zinc/36/45/10/497364510.db2.gz VJFKHAASYVPWQJ-UHFFFAOYSA-N 1 1 354.450 3.263 20 30 FGEDMO C=CC[N@@H+](CC(=O)NCc1cccc(COCc2ccco2)c1)C1CC1 ZINC000271497109 497364515 /nfs/dbraw/zinc/36/45/15/497364515.db2.gz VJFKHAASYVPWQJ-UHFFFAOYSA-N 1 1 354.450 3.263 20 30 FGEDMO N#CC1(c2ccccc2)CCC([NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000271507017 497366782 /nfs/dbraw/zinc/36/67/82/497366782.db2.gz NERRSYVIJOGGTH-JZEAKTPCSA-N 1 1 367.537 3.358 20 30 FGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271518749 497371079 /nfs/dbraw/zinc/37/10/79/497371079.db2.gz ULSYSIZNAQVINJ-CQSZACIVSA-N 1 1 361.438 3.092 20 30 FGEDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000190155320 497380076 /nfs/dbraw/zinc/38/00/76/497380076.db2.gz PFKBORQOSYCKPS-HOCLYGCPSA-N 1 1 356.388 3.208 20 30 FGEDMO COc1cc2nc(C[NH2+][C@H](C)c3ccc(C#N)cc3)[nH]c(=O)c2cc1OC ZINC000271652279 497409810 /nfs/dbraw/zinc/40/98/10/497409810.db2.gz JICKYMOWFFWHJN-GFCCVEGCSA-N 1 1 364.405 3.075 20 30 FGEDMO C[N@@H+](CCSCC(=O)N(CC#N)c1ccccc1)Cc1ccccc1 ZINC000193620453 497429108 /nfs/dbraw/zinc/42/91/08/497429108.db2.gz GVYPQEPSRLVMMV-UHFFFAOYSA-N 1 1 353.491 3.408 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1 ZINC000245529075 497441212 /nfs/dbraw/zinc/44/12/12/497441212.db2.gz BRRLFQCGPXBVIC-UYAOXDASSA-N 1 1 357.498 3.033 20 30 FGEDMO C=CCSCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245630060 497480522 /nfs/dbraw/zinc/48/05/22/497480522.db2.gz SCBMCJFVNRJIPE-HZPDHXFCSA-N 1 1 353.919 3.304 20 30 FGEDMO C=CCSCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245630060 497480525 /nfs/dbraw/zinc/48/05/25/497480525.db2.gz SCBMCJFVNRJIPE-HZPDHXFCSA-N 1 1 353.919 3.304 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000245727955 497518211 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RRKDQCRHLJWAKT-HZPDHXFCSA-N 1 1 360.458 3.060 20 30 FGEDMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000329721133 497879806 /nfs/dbraw/zinc/87/98/06/497879806.db2.gz ARCBKKHQZWROMP-WMZOPIPTSA-N 1 1 367.497 3.150 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC[N@H+]1C ZINC000329733258 497882946 /nfs/dbraw/zinc/88/29/46/497882946.db2.gz QRTGLNVFHCIABX-DGCLKSJQSA-N 1 1 359.451 3.326 20 30 FGEDMO COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@]34CCOC4)CC[N@H+]2C2CC2)c1 ZINC000329748096 497886800 /nfs/dbraw/zinc/88/68/00/497886800.db2.gz SRLQZTPESOGXNB-PXCRPINLSA-N 1 1 356.466 3.356 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000288762131 497891849 /nfs/dbraw/zinc/89/18/49/497891849.db2.gz HMIMHKHTDREOEL-XHSDSOJGSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000288762131 497891853 /nfs/dbraw/zinc/89/18/53/497891853.db2.gz HMIMHKHTDREOEL-XHSDSOJGSA-N 1 1 361.511 3.112 20 30 FGEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[NH+](C)CC2)cc1 ZINC000299681902 497893280 /nfs/dbraw/zinc/89/32/80/497893280.db2.gz WMUWSUKQMIYVCS-UHFFFAOYSA-N 1 1 366.421 3.138 20 30 FGEDMO CCC[C@]1(CO)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000288769610 497893741 /nfs/dbraw/zinc/89/37/41/497893741.db2.gz JNFFXDNDQRGDIH-NRFANRHFSA-N 1 1 357.498 3.035 20 30 FGEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)c1ccc3c(c1)OCO3)CC2 ZINC000329775697 497897322 /nfs/dbraw/zinc/89/73/22/497897322.db2.gz NHJVQQHKHVLNAL-UAGQMJEPSA-N 1 1 359.470 3.337 20 30 FGEDMO CCn1cc(Br)c(=O)c(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000329777438 497897670 /nfs/dbraw/zinc/89/76/70/497897670.db2.gz KLRYDLROAXPWGE-GRYCIOLGSA-N 1 1 370.291 3.480 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000364334485 497905165 /nfs/dbraw/zinc/90/51/65/497905165.db2.gz FXAJHTOIYPVYFH-FQEVSTJZSA-N 1 1 367.474 3.470 20 30 FGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000329813151 497911190 /nfs/dbraw/zinc/91/11/90/497911190.db2.gz SQTJIRIURZTGRU-UHYGZKCKSA-N 1 1 357.479 3.055 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1ccncc1 ZINC000299734542 497912204 /nfs/dbraw/zinc/91/22/04/497912204.db2.gz ZRINYCNFLFCUQJ-UHFFFAOYSA-N 1 1 354.479 3.007 20 30 FGEDMO COCC[N@@H+](C)CC[C@H](Nc1nccc(C#N)c1Cl)c1ccccc1 ZINC000569486621 505946713 /nfs/dbraw/zinc/94/67/13/505946713.db2.gz YHOLCHDMAYEVJE-KRWDZBQOSA-N 1 1 358.873 3.150 20 30 FGEDMO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000329847293 497924553 /nfs/dbraw/zinc/92/45/53/497924553.db2.gz YMRZCXWVZXCSES-BFUOFWGJSA-N 1 1 361.442 3.392 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292261672 497943046 /nfs/dbraw/zinc/94/30/46/497943046.db2.gz RLYPDTIIHJSTSC-AEFFLSMTSA-N 1 1 364.449 3.050 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292261672 497943053 /nfs/dbraw/zinc/94/30/53/497943053.db2.gz RLYPDTIIHJSTSC-AEFFLSMTSA-N 1 1 364.449 3.050 20 30 FGEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000329938183 497960542 /nfs/dbraw/zinc/96/05/42/497960542.db2.gz SKHOZWRLCSAHQX-OALUTQOASA-N 1 1 370.497 3.027 20 30 FGEDMO C[C@@H]1Oc2ccccc2N(CCC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1=O ZINC000329939047 497961547 /nfs/dbraw/zinc/96/15/47/497961547.db2.gz FJLYPODHFACEBO-DOTOQJQBSA-N 1 1 371.481 3.164 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc3nn(C(C)C)cc3c2)C1 ZINC000330005583 497987555 /nfs/dbraw/zinc/98/75/55/497987555.db2.gz CBMGIYZHNDSOCQ-GOSISDBHSA-N 1 1 373.501 3.300 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000330005090 497987601 /nfs/dbraw/zinc/98/76/01/497987601.db2.gz BPAHEBFWMDBCHP-FGTMMUONSA-N 1 1 367.559 3.127 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000330010885 497988716 /nfs/dbraw/zinc/98/87/16/497988716.db2.gz IKDCBVXASHVIPF-IUODEOHRSA-N 1 1 371.391 3.362 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc(CC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000578527024 505961516 /nfs/dbraw/zinc/96/15/16/505961516.db2.gz WIFWZENRPNNSLA-UTKZUKDTSA-N 1 1 362.477 3.215 20 30 FGEDMO COC1(CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CCC(C)CC1 ZINC000330044604 498001951 /nfs/dbraw/zinc/00/19/51/498001951.db2.gz CXEKBHSWRZIERC-UHFFFAOYSA-N 1 1 359.474 3.123 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000285131757 498002335 /nfs/dbraw/zinc/00/23/35/498002335.db2.gz SJKOLAPQTHCGEJ-LJQANCHMSA-N 1 1 365.481 3.366 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](n3cnc4ccccc43)C2)CCCCC1 ZINC000364528872 498004224 /nfs/dbraw/zinc/00/42/24/498004224.db2.gz KXZIVESOZPBSPK-KRWDZBQOSA-N 1 1 365.481 3.016 20 30 FGEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@H](n3cnc4ccccc43)C2)CCCCC1 ZINC000364528872 498004227 /nfs/dbraw/zinc/00/42/27/498004227.db2.gz KXZIVESOZPBSPK-KRWDZBQOSA-N 1 1 365.481 3.016 20 30 FGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)[C@@H]2C1 ZINC000330085547 498016568 /nfs/dbraw/zinc/01/65/68/498016568.db2.gz CXEDLDLSQFZIHD-SUMWQHHRSA-N 1 1 359.861 3.097 20 30 FGEDMO C=C(C)C[C@@H](C)c1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000289169964 498045278 /nfs/dbraw/zinc/04/52/78/498045278.db2.gz VECDQISLXNXSRH-RHSMWYFYSA-N 1 1 354.454 3.256 20 30 FGEDMO C=C(C)C[C@@H](C)c1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000289169964 498045285 /nfs/dbraw/zinc/04/52/85/498045285.db2.gz VECDQISLXNXSRH-RHSMWYFYSA-N 1 1 354.454 3.256 20 30 FGEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000330188071 498054865 /nfs/dbraw/zinc/05/48/65/498054865.db2.gz UFBHYXKFOJBNJR-UHFFFAOYSA-N 1 1 362.518 3.443 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301323195 498057615 /nfs/dbraw/zinc/05/76/15/498057615.db2.gz VMFIKQCGIFRYEI-YOEHRIQHSA-N 1 1 351.410 3.184 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1=O ZINC000281212998 498057566 /nfs/dbraw/zinc/05/75/66/498057566.db2.gz DICXGRJMHORRSA-FQEVSTJZSA-N 1 1 363.461 3.158 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1=O ZINC000281212998 498057574 /nfs/dbraw/zinc/05/75/74/498057574.db2.gz DICXGRJMHORRSA-FQEVSTJZSA-N 1 1 363.461 3.158 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000330203301 498059281 /nfs/dbraw/zinc/05/92/81/498059281.db2.gz BXRIZMUPYSCEJU-JFIYKMOQSA-N 1 1 362.518 3.355 20 30 FGEDMO O=C(NCCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330206774 498061863 /nfs/dbraw/zinc/06/18/63/498061863.db2.gz FLSNMCWMDUQYPX-HNNXBMFYSA-N 1 1 350.846 3.237 20 30 FGEDMO Cc1nc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Cl)cc1C#N ZINC000292579171 498066212 /nfs/dbraw/zinc/06/62/12/498066212.db2.gz KUNGCRLJKLEHQG-QGZVFWFLSA-N 1 1 356.857 3.094 20 30 FGEDMO Cc1nc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Cl)cc1C#N ZINC000292579153 498066966 /nfs/dbraw/zinc/06/69/66/498066966.db2.gz KUNGCRLJKLEHQG-KRWDZBQOSA-N 1 1 356.857 3.094 20 30 FGEDMO CC[C@@H]1CN(C(=O)Nc2ccc3nc(C)sc3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000330238731 498074178 /nfs/dbraw/zinc/07/41/78/498074178.db2.gz DKKNWUWPCQILDW-PBHICJAKSA-N 1 1 374.510 3.193 20 30 FGEDMO C[C@@H](C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000330330687 498106641 /nfs/dbraw/zinc/10/66/41/498106641.db2.gz NLSVLPIXTOONHQ-RYGJVYDSSA-N 1 1 368.481 3.044 20 30 FGEDMO C[C@@H](C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1)[N@H+]1CCc2ccccc2C1 ZINC000330330687 498106644 /nfs/dbraw/zinc/10/66/44/498106644.db2.gz NLSVLPIXTOONHQ-RYGJVYDSSA-N 1 1 368.481 3.044 20 30 FGEDMO CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cn1 ZINC000330349804 498114917 /nfs/dbraw/zinc/11/49/17/498114917.db2.gz KIUUNKKRSUNGJF-RYQLBKOJSA-N 1 1 362.518 3.448 20 30 FGEDMO CC(C)Cn1ncc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C(F)F ZINC000330502457 498143187 /nfs/dbraw/zinc/14/31/87/498143187.db2.gz WWUMXSMDRJRHRO-OLZOCXBDSA-N 1 1 357.449 3.437 20 30 FGEDMO CCc1cccc(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000572519501 505987850 /nfs/dbraw/zinc/98/78/50/505987850.db2.gz HAAJNMJNDYLYIK-UHFFFAOYSA-N 1 1 351.450 3.208 20 30 FGEDMO CCc1cccc(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000572519501 505987854 /nfs/dbraw/zinc/98/78/54/505987854.db2.gz HAAJNMJNDYLYIK-UHFFFAOYSA-N 1 1 351.450 3.208 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccnc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000330690004 498174323 /nfs/dbraw/zinc/17/43/23/498174323.db2.gz YDUIQPHZYZVRTC-GXTWGEPZSA-N 1 1 374.407 3.230 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccnc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000330690007 498174563 /nfs/dbraw/zinc/17/45/63/498174563.db2.gz YDUIQPHZYZVRTC-TZMCWYRMSA-N 1 1 374.407 3.230 20 30 FGEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000364871975 498185529 /nfs/dbraw/zinc/18/55/29/498185529.db2.gz LLFXLRAJUPXXME-OAQYLSRUSA-N 1 1 359.489 3.249 20 30 FGEDMO CC(C)C[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1cccs1 ZINC000330811120 498198678 /nfs/dbraw/zinc/19/86/78/498198678.db2.gz AUWHASHTMIRXBS-PMPSAXMXSA-N 1 1 353.532 3.136 20 30 FGEDMO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cc(F)cc(C#N)c1 ZINC000285824106 498211018 /nfs/dbraw/zinc/21/10/18/498211018.db2.gz RUDBCSNNFVSMCE-JXFKEZNVSA-N 1 1 369.484 3.450 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)OC)c(C)cc2C)[C@H](C)C1 ZINC000330972445 498227458 /nfs/dbraw/zinc/22/74/58/498227458.db2.gz KKYQNJJBOKJRAP-CRAIPNDOSA-N 1 1 361.486 3.298 20 30 FGEDMO COC[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000296885668 498237390 /nfs/dbraw/zinc/23/73/90/498237390.db2.gz VEIGUUBQSCYHMX-DNVCBOLYSA-N 1 1 361.511 3.378 20 30 FGEDMO COC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000296885668 498237396 /nfs/dbraw/zinc/23/73/96/498237396.db2.gz VEIGUUBQSCYHMX-DNVCBOLYSA-N 1 1 361.511 3.378 20 30 FGEDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000293034170 498244042 /nfs/dbraw/zinc/24/40/42/498244042.db2.gz LNURIXCBABERAX-NRFANRHFSA-N 1 1 352.482 3.189 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)c(NC(C)=O)c2)C[C@H]1C ZINC000331100732 498252802 /nfs/dbraw/zinc/25/28/02/498252802.db2.gz CTJFPKAXTLVCSX-DOMZBBRYSA-N 1 1 350.438 3.134 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000365020114 498257955 /nfs/dbraw/zinc/25/79/55/498257955.db2.gz RNKSEAGTEUDOBV-ZDUSSCGKSA-N 1 1 357.845 3.072 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(C)=O)ccc2OC)C[C@H]1C ZINC000331143844 498261267 /nfs/dbraw/zinc/26/12/67/498261267.db2.gz RVULBHSTTGAGJB-CJNGLKHVSA-N 1 1 362.474 3.004 20 30 FGEDMO C[C@H]1C[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301811898 498274716 /nfs/dbraw/zinc/27/47/16/498274716.db2.gz YLIAXBDNKQDEHQ-HOCLYGCPSA-N 1 1 351.410 3.184 20 30 FGEDMO N#Cc1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000575804843 506009431 /nfs/dbraw/zinc/00/94/31/506009431.db2.gz DKJPMAKHSFOADY-IBGZPJMESA-N 1 1 351.406 3.338 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cn(C)nc2C(F)(F)F)C1 ZINC000331320995 498300786 /nfs/dbraw/zinc/30/07/86/498300786.db2.gz JUDHRXVPPNOTRW-NSHDSACASA-N 1 1 361.412 3.275 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289819061 498309075 /nfs/dbraw/zinc/30/90/75/498309075.db2.gz OATODUJWUHMOGJ-KGLIPLIRSA-N 1 1 353.388 3.438 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289819061 498309085 /nfs/dbraw/zinc/30/90/85/498309085.db2.gz OATODUJWUHMOGJ-KGLIPLIRSA-N 1 1 353.388 3.438 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000289841715 498318606 /nfs/dbraw/zinc/31/86/06/498318606.db2.gz PDTOLQDLZFRNEL-FQEVSTJZSA-N 1 1 372.444 3.201 20 30 FGEDMO N#CCSCCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000365160933 498328509 /nfs/dbraw/zinc/32/85/09/498328509.db2.gz LZEHLAMKVJMQHJ-HNNXBMFYSA-N 1 1 350.488 3.137 20 30 FGEDMO N#CCSCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000365160933 498328515 /nfs/dbraw/zinc/32/85/15/498328515.db2.gz LZEHLAMKVJMQHJ-HNNXBMFYSA-N 1 1 350.488 3.137 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000281961107 498335351 /nfs/dbraw/zinc/33/53/51/498335351.db2.gz GEDPFIYVVRPVGH-UYAOXDASSA-N 1 1 350.466 3.004 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000293353362 498357331 /nfs/dbraw/zinc/35/73/31/498357331.db2.gz HEFTWOYRIUCCFQ-CVEARBPZSA-N 1 1 374.366 3.147 20 30 FGEDMO C=CCNC(=O)c1ccc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000302037093 498379632 /nfs/dbraw/zinc/37/96/32/498379632.db2.gz KFHRTXNGYMGCKP-ROUUACIJSA-N 1 1 356.514 3.088 20 30 FGEDMO C=CCNC(=O)c1ccc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000302037094 498379924 /nfs/dbraw/zinc/37/99/24/498379924.db2.gz KFHRTXNGYMGCKP-ZWKOTPCHSA-N 1 1 356.514 3.088 20 30 FGEDMO Cc1cnn([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C2)c1 ZINC000289995835 498387106 /nfs/dbraw/zinc/38/71/06/498387106.db2.gz SPQFRSRVJVKHRC-FQEVSTJZSA-N 1 1 365.481 3.002 20 30 FGEDMO Cc1cnn([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C2)c1 ZINC000289995835 498387112 /nfs/dbraw/zinc/38/71/12/498387112.db2.gz SPQFRSRVJVKHRC-FQEVSTJZSA-N 1 1 365.481 3.002 20 30 FGEDMO C=CCC(C)(C)CNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572677146 506027014 /nfs/dbraw/zinc/02/70/14/506027014.db2.gz BZKPEGKDGZWYDY-PKOBYXMFSA-N 1 1 359.514 3.177 20 30 FGEDMO C=CCC(C)(C)CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572677146 506027017 /nfs/dbraw/zinc/02/70/17/506027017.db2.gz BZKPEGKDGZWYDY-PKOBYXMFSA-N 1 1 359.514 3.177 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H](n3cccn3)C2)c2ccccc21 ZINC000361555218 498407251 /nfs/dbraw/zinc/40/72/51/498407251.db2.gz PEGWBZLYACBHOE-QGZVFWFLSA-N 1 1 361.449 3.271 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H](n3cccn3)C2)c2ccccc21 ZINC000361555218 498407258 /nfs/dbraw/zinc/40/72/58/498407258.db2.gz PEGWBZLYACBHOE-QGZVFWFLSA-N 1 1 361.449 3.271 20 30 FGEDMO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000365333774 498409997 /nfs/dbraw/zinc/40/99/97/498409997.db2.gz HFSRDLCGXKXOIJ-NSISKUIASA-N 1 1 373.497 3.262 20 30 FGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282203266 498421322 /nfs/dbraw/zinc/42/13/22/498421322.db2.gz XJHZTISSZNGBFX-SFHVURJKSA-N 1 1 350.466 3.479 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 ZINC000365361779 498424401 /nfs/dbraw/zinc/42/44/01/498424401.db2.gz IXPWZTKOVYKKRG-JXFKEZNVSA-N 1 1 363.465 3.180 20 30 FGEDMO COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OCCCC#N ZINC000293625907 498431927 /nfs/dbraw/zinc/43/19/27/498431927.db2.gz LAIOWQNGQNSIFE-OAQYLSRUSA-N 1 1 357.498 3.295 20 30 FGEDMO COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OCCCC#N ZINC000293625903 498432513 /nfs/dbraw/zinc/43/25/13/498432513.db2.gz LAIOWQNGQNSIFE-NRFANRHFSA-N 1 1 357.498 3.295 20 30 FGEDMO COc1cc(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)ccc1C#N ZINC000282365231 498482217 /nfs/dbraw/zinc/48/22/17/498482217.db2.gz PXYSUXRPTPQHSV-YWZLYKJASA-N 1 1 372.490 3.139 20 30 FGEDMO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331889337 498490035 /nfs/dbraw/zinc/49/00/35/498490035.db2.gz GJGQBSCNMWXTJN-MELADBBJSA-N 1 1 361.511 3.182 20 30 FGEDMO C[C@@H]1COC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331889337 498490042 /nfs/dbraw/zinc/49/00/42/498490042.db2.gz GJGQBSCNMWXTJN-MELADBBJSA-N 1 1 361.511 3.182 20 30 FGEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000282458059 498519939 /nfs/dbraw/zinc/51/99/39/498519939.db2.gz AQVZGIQGWLUAOP-GOSISDBHSA-N 1 1 364.497 3.171 20 30 FGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000362812203 498558307 /nfs/dbraw/zinc/55/83/07/498558307.db2.gz AVCPPIYCKIOBCK-SFHVURJKSA-N 1 1 371.872 3.419 20 30 FGEDMO C=CC[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000294056936 498575256 /nfs/dbraw/zinc/57/52/56/498575256.db2.gz LUGCDQNTAUPWKA-JGUMPVPUSA-N 1 1 356.510 3.447 20 30 FGEDMO N#Cc1ccsc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365744387 498621414 /nfs/dbraw/zinc/62/14/14/498621414.db2.gz WUKNTJIFKHYIBC-QZTJIDSGSA-N 1 1 351.475 3.214 20 30 FGEDMO N#CCC1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000569994773 506064398 /nfs/dbraw/zinc/06/43/98/506064398.db2.gz MJFXGNGGCCPJMI-GOSISDBHSA-N 1 1 361.436 3.296 20 30 FGEDMO Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282723964 498627113 /nfs/dbraw/zinc/62/71/13/498627113.db2.gz KWWJUGRUNDFPIX-LJQANCHMSA-N 1 1 351.450 3.490 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000363064691 498630963 /nfs/dbraw/zinc/63/09/63/498630963.db2.gz ICQQXPYISACQHH-AEFFLSMTSA-N 1 1 365.481 3.017 20 30 FGEDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1cnccc1C#N)c1ccc(Cl)cc1 ZINC000579020219 506075705 /nfs/dbraw/zinc/07/57/05/506075705.db2.gz DZTWKQWAHFBNLC-SFHVURJKSA-N 1 1 356.857 3.420 20 30 FGEDMO N#C[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC12CCCC2 ZINC000294463453 498700570 /nfs/dbraw/zinc/70/05/70/498700570.db2.gz NYWSFYBCUAZIAA-OAQYLSRUSA-N 1 1 355.457 3.334 20 30 FGEDMO N#C[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CC12CCCC2 ZINC000294463453 498700576 /nfs/dbraw/zinc/70/05/76/498700576.db2.gz NYWSFYBCUAZIAA-OAQYLSRUSA-N 1 1 355.457 3.334 20 30 FGEDMO C#CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000363251743 498728533 /nfs/dbraw/zinc/72/85/33/498728533.db2.gz JJXCZAFTGCTFEW-LPHOPBHVSA-N 1 1 354.475 3.183 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)cs3)[C@H](C)C2)s1 ZINC000363365512 498782554 /nfs/dbraw/zinc/78/25/54/498782554.db2.gz MUJYMVZAGNUODP-IAQYHMDHSA-N 1 1 360.508 3.025 20 30 FGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[C@@H](CC#N)c2ccccc2)C[C@H](C)O1 ZINC000366250579 498841535 /nfs/dbraw/zinc/84/15/35/498841535.db2.gz MAMJKOIFIKUZIG-JYRKZWEQSA-N 1 1 369.509 3.174 20 30 FGEDMO C[NH+]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000298689401 498850103 /nfs/dbraw/zinc/85/01/03/498850103.db2.gz KRDQIWQAKNUOCM-UHFFFAOYSA-N 1 1 364.449 3.111 20 30 FGEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000366391920 498906331 /nfs/dbraw/zinc/90/63/31/498906331.db2.gz LWSMVGWWRKMCBL-FCHUYYIVSA-N 1 1 372.472 3.021 20 30 FGEDMO CN(C(=O)NCc1ccc(CC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582000738 506110261 /nfs/dbraw/zinc/11/02/61/506110261.db2.gz ZJJJKXOLWNYSOS-NRFANRHFSA-N 1 1 362.477 3.169 20 30 FGEDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000328722540 498915304 /nfs/dbraw/zinc/91/53/04/498915304.db2.gz ABIJHFWYVAIHMA-GDBMZVCRSA-N 1 1 362.470 3.429 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000299012629 498940227 /nfs/dbraw/zinc/94/02/27/498940227.db2.gz CARIRGABTODDQS-HOCLYGCPSA-N 1 1 374.510 3.222 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000299012629 498940234 /nfs/dbraw/zinc/94/02/34/498940234.db2.gz CARIRGABTODDQS-HOCLYGCPSA-N 1 1 374.510 3.222 20 30 FGEDMO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1OCCCC#N ZINC000366480275 498946067 /nfs/dbraw/zinc/94/60/67/498946067.db2.gz QPMKJEKLEWYLKD-DYESRHJHSA-N 1 1 374.481 3.148 20 30 FGEDMO COc1ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1OCCCC#N ZINC000366480275 498946072 /nfs/dbraw/zinc/94/60/72/498946072.db2.gz QPMKJEKLEWYLKD-DYESRHJHSA-N 1 1 374.481 3.148 20 30 FGEDMO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)o1 ZINC000299064901 498955990 /nfs/dbraw/zinc/95/59/90/498955990.db2.gz QQHJXBITRVFBJS-MSOLQXFVSA-N 1 1 365.433 3.087 20 30 FGEDMO O=C(C[N@H+]1CC[C@H](C2CCOCC2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000328850424 498960706 /nfs/dbraw/zinc/96/07/06/498960706.db2.gz RTBIJDHSIHUGCM-ZDUSSCGKSA-N 1 1 368.380 3.345 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000328923105 498986966 /nfs/dbraw/zinc/98/69/66/498986966.db2.gz CVQOXQFGICARKY-JFIYKMOQSA-N 1 1 362.518 3.355 20 30 FGEDMO C[C@@H](C[NH+]1CCOCC1)C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000328968332 499000866 /nfs/dbraw/zinc/00/08/66/499000866.db2.gz AHPCJFHCRNBMCX-INIZCTEOSA-N 1 1 374.481 3.152 20 30 FGEDMO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[C@H](C)C1 ZINC000328967640 499000900 /nfs/dbraw/zinc/00/09/00/499000900.db2.gz ABROPUBDWVXIML-QLCXLMDBSA-N 1 1 361.534 3.131 20 30 FGEDMO C#CCCOc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000295408606 499008872 /nfs/dbraw/zinc/00/88/72/499008872.db2.gz LDOBLUKIWWHJNL-RXVVDRJESA-N 1 1 352.478 3.178 20 30 FGEDMO C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000328990827 499009203 /nfs/dbraw/zinc/00/92/03/499009203.db2.gz VFPUKHVOJIWZCT-XBQLXHJASA-N 1 1 368.424 3.193 20 30 FGEDMO C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000328990827 499009206 /nfs/dbraw/zinc/00/92/06/499009206.db2.gz VFPUKHVOJIWZCT-XBQLXHJASA-N 1 1 368.424 3.193 20 30 FGEDMO COc1cc(Br)cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000329073101 499033606 /nfs/dbraw/zinc/03/36/06/499033606.db2.gz ZWCOAVXVMOCPAU-LSDHHAIUSA-N 1 1 368.275 3.220 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000329131585 499051153 /nfs/dbraw/zinc/05/11/53/499051153.db2.gz XWCZNODMMRCIJO-CDJWAVJASA-N 1 1 364.490 3.267 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3c4c(nn3C)CCC4)cc2)C[C@H](C)O1 ZINC000329178456 499064645 /nfs/dbraw/zinc/06/46/45/499064645.db2.gz CQJQNMWIQXFJKC-GASCZTMLSA-N 1 1 368.481 3.154 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3c4c(nn3C)CCC4)cc2)C[C@H](C)O1 ZINC000329178456 499064651 /nfs/dbraw/zinc/06/46/51/499064651.db2.gz CQJQNMWIQXFJKC-GASCZTMLSA-N 1 1 368.481 3.154 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000329219785 499075516 /nfs/dbraw/zinc/07/55/16/499075516.db2.gz STCNCZROWVKIJG-IFXJQAMLSA-N 1 1 359.495 3.446 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366803852 499079245 /nfs/dbraw/zinc/07/92/45/499079245.db2.gz DOMKYGIILYGVID-PMACEKPBSA-N 1 1 366.440 3.284 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366803852 499079247 /nfs/dbraw/zinc/07/92/47/499079247.db2.gz DOMKYGIILYGVID-PMACEKPBSA-N 1 1 366.440 3.284 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000329255933 499084655 /nfs/dbraw/zinc/08/46/55/499084655.db2.gz XJCOFXPQIYMYQY-LJQANCHMSA-N 1 1 372.513 3.041 20 30 FGEDMO CC(C)C[C@H](C)Oc1cc(CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccn1 ZINC000329271467 499088756 /nfs/dbraw/zinc/08/87/56/499088756.db2.gz IBXFSNDSYGTPBW-YTQUADARSA-N 1 1 374.529 3.335 20 30 FGEDMO Cc1ccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(OC[C@@H]2CCCO2)c1 ZINC000329285096 499091408 /nfs/dbraw/zinc/09/14/08/499091408.db2.gz OGOGBJCBGVWABP-IKGGRYGDSA-N 1 1 361.486 3.123 20 30 FGEDMO CCc1cc(N2CCC[C@H](NC(=O)CC[C@H]3CCCC[N@H+]3C)C2)ncn1 ZINC000329283858 499091564 /nfs/dbraw/zinc/09/15/64/499091564.db2.gz NNNHJUCTCRAMDJ-ZWKOTPCHSA-N 1 1 359.518 3.229 20 30 FGEDMO C[C@H](NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)C1=CC[N@@H+](C)CC1 ZINC000329300492 499093345 /nfs/dbraw/zinc/09/33/45/499093345.db2.gz MMIIXUJRPHGCAL-DOTOQJQBSA-N 1 1 362.518 3.162 20 30 FGEDMO Cc1cc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cnc1N1CCCC[C@@H]1C ZINC000329335448 499102863 /nfs/dbraw/zinc/10/28/63/499102863.db2.gz LGAGZVAUJUZXHM-JENIJYKNSA-N 1 1 371.529 3.340 20 30 FGEDMO Cc1cc(N2C[C@H](C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)CC2=O)ccc1F ZINC000329339063 499103655 /nfs/dbraw/zinc/10/36/55/499103655.db2.gz NMYLZLFADAKYBK-GDBMZVCRSA-N 1 1 359.445 3.094 20 30 FGEDMO N#CC1(CCC[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)CCOCC1 ZINC000291932098 499105134 /nfs/dbraw/zinc/10/51/34/499105134.db2.gz SWOGBSAXIIXSLQ-JOCHJYFZSA-N 1 1 356.510 3.404 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2c2noc(C)n2)C1 ZINC000329377661 499111134 /nfs/dbraw/zinc/11/11/34/499111134.db2.gz MGTXETXECOAAMN-HZPDHXFCSA-N 1 1 363.506 3.330 20 30 FGEDMO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC2(O)CCC2)C1)c1ccccc1 ZINC000329388814 499113617 /nfs/dbraw/zinc/11/36/17/499113617.db2.gz RMGXHFUHMCZTKB-INIZCTEOSA-N 1 1 354.454 3.140 20 30 FGEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cc2n(n1)CCO2 ZINC000329442221 499122444 /nfs/dbraw/zinc/12/24/44/499122444.db2.gz BOZYAWKVRVPUCH-GOSISDBHSA-N 1 1 368.481 3.053 20 30 FGEDMO CN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C1CCCCCC1 ZINC000329496882 499128068 /nfs/dbraw/zinc/12/80/68/499128068.db2.gz JDNUIKHXZVRVCD-QFBILLFUSA-N 1 1 361.534 3.372 20 30 FGEDMO C[C@H](NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000329524443 499129286 /nfs/dbraw/zinc/12/92/86/499129286.db2.gz SETDBSHMBXLAKG-HRAATJIYSA-N 1 1 355.482 3.288 20 30 FGEDMO N#CCSCCC[N@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000369838259 499136210 /nfs/dbraw/zinc/13/62/10/499136210.db2.gz RZZZGKZCMVGTFC-UHFFFAOYSA-N 1 1 367.522 3.303 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@]2(C1)CCCOC2)c1cccc(Cl)c1 ZINC000367047060 499139280 /nfs/dbraw/zinc/13/92/80/499139280.db2.gz DESNTRIWAVTRTM-LJQANCHMSA-N 1 1 361.873 3.089 20 30 FGEDMO N#Cc1c(F)ccc(C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)c1Cl ZINC000367056943 499141388 /nfs/dbraw/zinc/14/13/88/499141388.db2.gz DIZMKVJUQIDZSC-INIZCTEOSA-N 1 1 373.815 3.080 20 30 FGEDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3cc(C#N)ccc3Cl)CC2)on1 ZINC000367152739 499154755 /nfs/dbraw/zinc/15/47/55/499154755.db2.gz UXXKAOONTDOTJC-UHFFFAOYSA-N 1 1 372.856 3.245 20 30 FGEDMO C=CC[C@@H](CC)NC(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000370005623 499165060 /nfs/dbraw/zinc/16/50/60/499165060.db2.gz HZWFZLMHGLPJAQ-QXAKKESOSA-N 1 1 361.534 3.189 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccco1 ZINC000372842373 499182880 /nfs/dbraw/zinc/18/28/80/499182880.db2.gz PBWCGHMAMIGRGO-LJQANCHMSA-N 1 1 364.449 3.253 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000370654804 499240522 /nfs/dbraw/zinc/24/05/22/499240522.db2.gz XHWKHSKBMZIOPS-DUXKGJEZSA-N 1 1 373.566 3.270 20 30 FGEDMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000370654804 499240524 /nfs/dbraw/zinc/24/05/24/499240524.db2.gz 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C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1OC ZINC000449767776 501081525 /nfs/dbraw/zinc/08/15/25/501081525.db2.gz QXMPFIQNIHSNNC-TZMCWYRMSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](C)C[C@@H](O)C2)cc1OC ZINC000449767776 501081528 /nfs/dbraw/zinc/08/15/28/501081528.db2.gz QXMPFIQNIHSNNC-TZMCWYRMSA-N 1 1 370.287 3.225 20 30 FGEDMO CC1(C)CCC[N@H+]1CCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000449785070 501086588 /nfs/dbraw/zinc/08/65/88/501086588.db2.gz ZPUNOKAXKUSZJD-UHFFFAOYSA-N 1 1 351.498 3.428 20 30 FGEDMO CC1(C)CCCN1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000449785070 501086591 /nfs/dbraw/zinc/08/65/91/501086591.db2.gz ZPUNOKAXKUSZJD-UHFFFAOYSA-N 1 1 351.498 3.428 20 30 FGEDMO C=CCC[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000441582129 501156003 /nfs/dbraw/zinc/15/60/03/501156003.db2.gz PZEGCRWRPPIGKB-HOTGVXAUSA-N 1 1 356.388 3.160 20 30 FGEDMO C=CCC[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000441582129 501156004 /nfs/dbraw/zinc/15/60/04/501156004.db2.gz PZEGCRWRPPIGKB-HOTGVXAUSA-N 1 1 356.388 3.160 20 30 FGEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C#N)c1Br ZINC000450052463 501165371 /nfs/dbraw/zinc/16/53/71/501165371.db2.gz LNEISICSVFIFOI-ZIAGYGMSSA-N 1 1 362.271 3.020 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)O)c1C#N ZINC000451372593 501277367 /nfs/dbraw/zinc/27/73/67/501277367.db2.gz QRIMBNIAGMZXBK-HNNXBMFYSA-N 1 1 360.502 3.121 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000451411506 501286903 /nfs/dbraw/zinc/28/69/03/501286903.db2.gz DXLWVMMAEROHQL-NXHRZFHOSA-N 1 1 361.873 3.166 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455418447 501297232 /nfs/dbraw/zinc/29/72/32/501297232.db2.gz FZTBCHSZTBDCCO-NJYVYQBISA-N 1 1 371.525 3.274 20 30 FGEDMO COc1cc(OC)cc(C2(F)CC[NH+](Cc3cccc(C#N)n3)CC2)c1 ZINC000602651922 506245377 /nfs/dbraw/zinc/24/53/77/506245377.db2.gz HZZHJGQOMCDOII-UHFFFAOYSA-N 1 1 355.413 3.431 20 30 FGEDMO CCO[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000451552510 501321752 /nfs/dbraw/zinc/32/17/52/501321752.db2.gz YTSXDYDHHOFVAY-XLIONFOSSA-N 1 1 357.498 3.297 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1(C)C ZINC000451557741 501322969 /nfs/dbraw/zinc/32/29/69/501322969.db2.gz YBVFBRSRSCHYEI-LJQANCHMSA-N 1 1 357.498 3.297 20 30 FGEDMO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000453412440 501326219 /nfs/dbraw/zinc/32/62/19/501326219.db2.gz HMGGVWWLFGZASI-NBMJBFSESA-N 1 1 371.529 3.157 20 30 FGEDMO C=CCn1c(Cc2ccsc2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453426960 501329823 /nfs/dbraw/zinc/32/98/23/501329823.db2.gz VBRVSBDRIARKFV-LZLYRXPVSA-N 1 1 371.554 3.283 20 30 FGEDMO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000453428164 501329932 /nfs/dbraw/zinc/32/99/32/501329932.db2.gz ZPEWIYJQVKNZFP-LJQANCHMSA-N 1 1 367.497 3.061 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000453459947 501338233 /nfs/dbraw/zinc/33/82/33/501338233.db2.gz DCAQTEMNKIZGBT-KSZLIROESA-N 1 1 361.534 3.262 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1C ZINC000451712007 501357348 /nfs/dbraw/zinc/35/73/48/501357348.db2.gz QRAWDJKFZSAJPI-HSALFYBXSA-N 1 1 369.509 3.033 20 30 FGEDMO N#Cc1ccccc1CSCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000598962189 506248587 /nfs/dbraw/zinc/24/85/87/506248587.db2.gz DVWGOIYVUJYZSL-IBGZPJMESA-N 1 1 372.538 3.108 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1 ZINC000451802492 501374878 /nfs/dbraw/zinc/37/48/78/501374878.db2.gz OCRYGWGBVFFDEO-IBGZPJMESA-N 1 1 357.498 3.033 20 30 FGEDMO C[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)[N@H+]1CCCC[C@H]1C ZINC000598964921 506250431 /nfs/dbraw/zinc/25/04/31/506250431.db2.gz SNUXIMMBGIMDIN-SJORKVTESA-N 1 1 354.498 3.083 20 30 FGEDMO N#Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000454345980 501519718 /nfs/dbraw/zinc/51/97/18/501519718.db2.gz XHFYLUQVALSPDX-LJQANCHMSA-N 1 1 366.440 3.161 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000454358097 501522030 /nfs/dbraw/zinc/52/20/30/501522030.db2.gz FXKGAXDIRWVWEM-DNVCBOLYSA-N 1 1 366.440 3.332 20 30 FGEDMO C=CC(C)(C)CNC(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000458987586 501571989 /nfs/dbraw/zinc/57/19/89/501571989.db2.gz MLKONJVQZQZXKK-INIZCTEOSA-N 1 1 367.534 3.036 20 30 FGEDMO C=CC(C)(C)CNC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000458987586 501571991 /nfs/dbraw/zinc/57/19/91/501571991.db2.gz MLKONJVQZQZXKK-INIZCTEOSA-N 1 1 367.534 3.036 20 30 FGEDMO C=CC(C)(C)CNC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000458986420 501572019 /nfs/dbraw/zinc/57/20/19/501572019.db2.gz KDLSGXHWWQLMAA-OAHLLOKOSA-N 1 1 350.532 3.127 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000459028070 501578815 /nfs/dbraw/zinc/57/88/15/501578815.db2.gz NOIFSJUIOKIIQY-FFGOWVMKSA-N 1 1 357.498 3.197 20 30 FGEDMO C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000598986666 506261867 /nfs/dbraw/zinc/26/18/67/506261867.db2.gz KDQTWTNMAWGNLJ-AWEZNQCLSA-N 1 1 353.388 3.181 20 30 FGEDMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(C#N)n1)C(C)C ZINC000602690777 506262849 /nfs/dbraw/zinc/26/28/49/506262849.db2.gz OHXNCVJVLNXFBY-SFHVURJKSA-N 1 1 371.506 3.325 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459252415 501619595 /nfs/dbraw/zinc/61/95/95/501619595.db2.gz GYZBIVSQYJFWIU-INIZCTEOSA-N 1 1 360.458 3.024 20 30 FGEDMO CCOc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)ccc1O ZINC000459321639 501630434 /nfs/dbraw/zinc/63/04/34/501630434.db2.gz GLXLZNOYUSYNPO-UHFFFAOYSA-N 1 1 355.413 3.124 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459639890 501691311 /nfs/dbraw/zinc/69/13/11/501691311.db2.gz KUMBZASTCLFPNO-HNNXBMFYSA-N 1 1 362.436 3.092 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(C#N)c1C ZINC000459806299 501716856 /nfs/dbraw/zinc/71/68/56/501716856.db2.gz MSUQCKQYVMEYPD-NSHDSACASA-N 1 1 365.499 3.085 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(C#N)c1C ZINC000459806299 501716857 /nfs/dbraw/zinc/71/68/57/501716857.db2.gz MSUQCKQYVMEYPD-NSHDSACASA-N 1 1 365.499 3.085 20 30 FGEDMO COCC[C@@H]1CCCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000467271435 501754396 /nfs/dbraw/zinc/75/43/96/501754396.db2.gz NVTNRRJUMHYHLA-MOPGFXCFSA-N 1 1 357.498 3.460 20 30 FGEDMO COCC[C@@H]1CCCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000467281640 501757907 /nfs/dbraw/zinc/75/79/07/501757907.db2.gz WTPIBXZSAJXNFO-LSNYBQGISA-N 1 1 363.546 3.444 20 30 FGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599003533 506273140 /nfs/dbraw/zinc/27/31/40/506273140.db2.gz KKYPODHKRLJNLJ-FGTMMUONSA-N 1 1 368.525 3.187 20 30 FGEDMO C[N@@H+](CCN(Cc1ccccc1)c1cc(C#N)ncn1)Cc1ccccc1 ZINC000582524323 506273732 /nfs/dbraw/zinc/27/37/32/506273732.db2.gz NGYJDPGFCXHWCD-UHFFFAOYSA-N 1 1 357.461 3.487 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000467475635 501804230 /nfs/dbraw/zinc/80/42/30/501804230.db2.gz YGFACQKUUCCJEE-KSSFIOAISA-N 1 1 352.413 3.482 20 30 FGEDMO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000460373948 501808088 /nfs/dbraw/zinc/80/80/88/501808088.db2.gz GLNOXQGRZRZVKB-IAGOWNOFSA-N 1 1 369.513 3.449 20 30 FGEDMO C[C@@H](Nc1nc2ncccc2cc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596143721 506277190 /nfs/dbraw/zinc/27/71/90/506277190.db2.gz GVPKVOGREGBOPP-UZLBHIALSA-N 1 1 373.460 3.203 20 30 FGEDMO C[C@@H](Nc1nc2ncccc2cc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596143721 506277194 /nfs/dbraw/zinc/27/71/94/506277194.db2.gz GVPKVOGREGBOPP-UZLBHIALSA-N 1 1 373.460 3.203 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000470905449 501848183 /nfs/dbraw/zinc/84/81/83/501848183.db2.gz GALDTTRQJWQGTA-LJQANCHMSA-N 1 1 356.422 3.413 20 30 FGEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1 ZINC000470906243 501849249 /nfs/dbraw/zinc/84/92/49/501849249.db2.gz LWQIRLMDXIBUFR-UHFFFAOYSA-N 1 1 365.477 3.405 20 30 FGEDMO C=C(C)C[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccccc1 ZINC000470906243 501849256 /nfs/dbraw/zinc/84/92/56/501849256.db2.gz LWQIRLMDXIBUFR-UHFFFAOYSA-N 1 1 365.477 3.405 20 30 FGEDMO CC[N@H+](CCC#N)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000478034215 501861167 /nfs/dbraw/zinc/86/11/67/501861167.db2.gz QBIBSPIDOAJDML-UHFFFAOYSA-N 1 1 367.453 3.182 20 30 FGEDMO CC[N@@H+](CCC#N)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000478034215 501861174 /nfs/dbraw/zinc/86/11/74/501861174.db2.gz QBIBSPIDOAJDML-UHFFFAOYSA-N 1 1 367.453 3.182 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470969860 501876186 /nfs/dbraw/zinc/87/61/86/501876186.db2.gz VDXOAXUZHZDHTJ-ZBFHGGJFSA-N 1 1 374.916 3.202 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1CCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004510 501887805 /nfs/dbraw/zinc/88/78/05/501887805.db2.gz HVQOTIVOPLVARY-UXHICEINSA-N 1 1 360.933 3.397 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485877152 501971802 /nfs/dbraw/zinc/97/18/02/501971802.db2.gz UQFVJYPLIKYTFN-NJDAHSKKSA-N 1 1 364.493 3.301 20 30 FGEDMO C=CC[N@@H+](C[C@@H](O)CC1CCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475048781 502036151 /nfs/dbraw/zinc/03/61/51/502036151.db2.gz PCUBFEFYXNTABP-UZLBHIALSA-N 1 1 355.486 3.153 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000464821367 502106594 /nfs/dbraw/zinc/10/65/94/502106594.db2.gz HQCRLYGCNVGESW-UHFFFAOYSA-N 1 1 369.509 3.441 20 30 FGEDMO CN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccccc1C#N ZINC000486321621 502121676 /nfs/dbraw/zinc/12/16/76/502121676.db2.gz SBPUIPHZVSDNMV-UHFFFAOYSA-N 1 1 353.332 3.353 20 30 FGEDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000478957434 502130527 /nfs/dbraw/zinc/13/05/27/502130527.db2.gz JQOZLKZDXGEJSB-MRXNPFEDSA-N 1 1 352.400 3.295 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000464883514 502136344 /nfs/dbraw/zinc/13/63/44/502136344.db2.gz DAAIHNZIWXJJPW-UHFFFAOYSA-N 1 1 370.472 3.269 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000475402871 502161405 /nfs/dbraw/zinc/16/14/05/502161405.db2.gz GPELIXIJZQYLHW-OALUTQOASA-N 1 1 369.509 3.220 20 30 FGEDMO N#Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1Cl ZINC000599054261 506297029 /nfs/dbraw/zinc/29/70/29/506297029.db2.gz MACRTGMCMUCYQX-KRWDZBQOSA-N 1 1 360.889 3.418 20 30 FGEDMO N#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000479317695 502223085 /nfs/dbraw/zinc/22/30/85/502223085.db2.gz RZIOHKYHZZRETF-UYAOXDASSA-N 1 1 351.425 3.419 20 30 FGEDMO Cc1nc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(Cl)cc1C#N ZINC000461932914 502242987 /nfs/dbraw/zinc/24/29/87/502242987.db2.gz DTSBUFVCAMDBCL-GOSISDBHSA-N 1 1 370.884 3.484 20 30 FGEDMO CC(C)[C@H](CNC(=O)c1ccc(C#N)s1)[N@H+]1CCc2ccccc2C1 ZINC000486753682 502251210 /nfs/dbraw/zinc/25/12/10/502251210.db2.gz XSECHAWNIAQDTO-SFHVURJKSA-N 1 1 353.491 3.432 20 30 FGEDMO N#C[C@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000461966696 502256435 /nfs/dbraw/zinc/25/64/35/502256435.db2.gz QINWLKTWYKPAJL-WOJBJXKFSA-N 1 1 354.498 3.029 20 30 FGEDMO COc1cccc([C@@H](CNC(=O)c2ccc(C#N)s2)[NH+]2CCCC2)c1 ZINC000486842099 502280965 /nfs/dbraw/zinc/28/09/65/502280965.db2.gz PZIDWNFVMDSRLR-QGZVFWFLSA-N 1 1 355.463 3.195 20 30 FGEDMO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000472240843 502282054 /nfs/dbraw/zinc/28/20/54/502282054.db2.gz OJHSSZDRCRJYLM-SFHVURJKSA-N 1 1 371.525 3.490 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H](COC)Cc1ccccc1 ZINC000472325132 502315840 /nfs/dbraw/zinc/31/58/40/502315840.db2.gz HRTIJHFXGPTLNW-HXUWFJFHSA-N 1 1 351.450 3.076 20 30 FGEDMO C[C@@H]([NH2+]CC1(CN[C@@H](C)c2cccc(C#N)c2)COC1)c1cccc(C#N)c1 ZINC000611798265 506307737 /nfs/dbraw/zinc/30/77/37/506307737.db2.gz HRHPTUJUPGGISC-HDICACEKSA-N 1 1 374.488 3.448 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000462269936 502374789 /nfs/dbraw/zinc/37/47/89/502374789.db2.gz MYCGSEAMFADVTC-LIRRHRJNSA-N 1 1 352.413 3.339 20 30 FGEDMO CCOC(=O)c1nn(C)cc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000473134578 502525223 /nfs/dbraw/zinc/52/52/23/502525223.db2.gz YHYSCPSPKFTSRF-UHFFFAOYSA-N 1 1 354.454 3.127 20 30 FGEDMO CCOC(=O)c1nn(C)cc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000473134578 502525227 /nfs/dbraw/zinc/52/52/27/502525227.db2.gz YHYSCPSPKFTSRF-UHFFFAOYSA-N 1 1 354.454 3.127 20 30 FGEDMO CN1CC[NH+](CCOc2ccc(-c3cc4ccccc4nc3C#N)cc2)CC1 ZINC000592986384 506323293 /nfs/dbraw/zinc/32/32/93/506323293.db2.gz HBIYTUMMZBVVNX-UHFFFAOYSA-N 1 1 372.472 3.400 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ncccc2OCCCC#N)C[C@@H]1C ZINC000466609475 502622257 /nfs/dbraw/zinc/62/22/57/502622257.db2.gz LSNQEWCDGIBYJP-JKSUJKDBSA-N 1 1 359.474 3.101 20 30 FGEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C1(C)C ZINC000477060879 502665511 /nfs/dbraw/zinc/66/55/11/502665511.db2.gz VAYLFXDJYMIBMT-RTBURBONSA-N 1 1 357.498 3.090 20 30 FGEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000477070271 502668838 /nfs/dbraw/zinc/66/88/38/502668838.db2.gz DSQOBIIXYPTGCA-WZQKQDCOSA-N 1 1 369.490 3.317 20 30 FGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C[C@H](C)N1CC#N ZINC000602861057 506329074 /nfs/dbraw/zinc/32/90/74/506329074.db2.gz KHJCYDWEYACCDI-BETUJISGSA-N 1 1 369.296 3.240 20 30 FGEDMO C=CC[N@@H+](CCOC)CCc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000484677710 502705806 /nfs/dbraw/zinc/70/58/06/502705806.db2.gz JBXIDTOHYRBDKM-ZDUSSCGKSA-N 1 1 360.527 3.075 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000481034202 502734798 /nfs/dbraw/zinc/73/47/98/502734798.db2.gz KWEMEFGZRRSUOO-MRXNPFEDSA-N 1 1 365.271 3.091 20 30 FGEDMO Cc1cc(N[C@H]2CC23CCOCC3)c(C#N)c(N[C@@H]2CC23CCOCC3)[nH+]1 ZINC000596256972 506331388 /nfs/dbraw/zinc/33/13/88/506331388.db2.gz FRUBAEQYHLEGIL-ZWKOTPCHSA-N 1 1 368.481 3.224 20 30 FGEDMO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C[C@@H](C)OC ZINC000463422042 502794649 /nfs/dbraw/zinc/79/46/49/502794649.db2.gz REZCDOHIEKFCAV-OAHLLOKOSA-N 1 1 351.878 3.252 20 30 FGEDMO C[N@@H+](CCc1cccc(Br)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000463426805 502795971 /nfs/dbraw/zinc/79/59/71/502795971.db2.gz QUSRHUIKCMMMRG-QGZVFWFLSA-N 1 1 372.266 3.022 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463444130 502808013 /nfs/dbraw/zinc/80/80/13/502808013.db2.gz QJHNODPQWBONAC-JOCHJYFZSA-N 1 1 350.462 3.384 20 30 FGEDMO CC(C)(CCC#N)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000513127650 502858685 /nfs/dbraw/zinc/85/86/85/502858685.db2.gz AOOGUMYPECLACY-UHFFFAOYSA-N 1 1 367.497 3.106 20 30 FGEDMO C[NH+](C)[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000505148221 502859761 /nfs/dbraw/zinc/85/97/61/502859761.db2.gz GJKSGEDPGMIAQF-NRFANRHFSA-N 1 1 363.461 3.231 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602890073 506340128 /nfs/dbraw/zinc/34/01/28/506340128.db2.gz YNNKZSOEBCKDGT-QAPCUYQASA-N 1 1 371.444 3.318 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000501089765 502934867 /nfs/dbraw/zinc/93/48/67/502934867.db2.gz QYHTZHAXCQUKKH-CZUORRHYSA-N 1 1 366.868 3.321 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2[C@@H](C)CCC[C@H]2CO)c1C#N ZINC000501093308 502935430 /nfs/dbraw/zinc/93/54/30/502935430.db2.gz YRTLTTXXHNJQNG-KSSFIOAISA-N 1 1 372.513 3.266 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2[C@@H](C)CCC[C@H]2CO)c1C#N ZINC000501093308 502935432 /nfs/dbraw/zinc/93/54/32/502935432.db2.gz YRTLTTXXHNJQNG-KSSFIOAISA-N 1 1 372.513 3.266 20 30 FGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc1OC ZINC000513449877 502942082 /nfs/dbraw/zinc/94/20/82/502942082.db2.gz BGSWCMUGHBAGTD-LJQANCHMSA-N 1 1 366.461 3.497 20 30 FGEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)cc1OC ZINC000513449877 502942084 /nfs/dbraw/zinc/94/20/84/502942084.db2.gz BGSWCMUGHBAGTD-LJQANCHMSA-N 1 1 366.461 3.497 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000509715803 502974208 /nfs/dbraw/zinc/97/42/08/502974208.db2.gz PEJDKHXNMXODBS-CRAIPNDOSA-N 1 1 367.415 3.449 20 30 FGEDMO C=CCc1ccc(OCC(=O)Nc2c[nH+]ccc2-n2cccn2)c(OC)c1 ZINC000505897591 503008437 /nfs/dbraw/zinc/00/84/37/503008437.db2.gz CAWQQGLHEMUQNX-UHFFFAOYSA-N 1 1 364.405 3.022 20 30 FGEDMO N#Cc1ccc(C2CC[NH+]([C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)nc1 ZINC000602906594 506346589 /nfs/dbraw/zinc/34/65/89/506346589.db2.gz LAPXOKYNDFCURM-FQEVSTJZSA-N 1 1 364.424 3.077 20 30 FGEDMO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908651 506347527 /nfs/dbraw/zinc/34/75/27/506347527.db2.gz FSQHSKQMNNPESZ-INIZCTEOSA-N 1 1 358.449 3.475 20 30 FGEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H](C)C1 ZINC000489758558 503027169 /nfs/dbraw/zinc/02/71/69/503027169.db2.gz NTDCHVLIXDZQFJ-XEYPJELSSA-N 1 1 354.498 3.403 20 30 FGEDMO C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908652 506348479 /nfs/dbraw/zinc/34/84/79/506348479.db2.gz FSQHSKQMNNPESZ-MRXNPFEDSA-N 1 1 358.449 3.475 20 30 FGEDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000501592496 503045773 /nfs/dbraw/zinc/04/57/73/503045773.db2.gz UTTLZEBDZXAOGZ-GJZGRUSLSA-N 1 1 368.868 3.342 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ncc(C#N)cc1Cl ZINC000501592496 503045777 /nfs/dbraw/zinc/04/57/77/503045777.db2.gz UTTLZEBDZXAOGZ-GJZGRUSLSA-N 1 1 368.868 3.342 20 30 FGEDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000593035418 506351280 /nfs/dbraw/zinc/35/12/80/506351280.db2.gz LMBYMLALUPERQL-CYBMUJFWSA-N 1 1 353.378 3.446 20 30 FGEDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000593035418 506351281 /nfs/dbraw/zinc/35/12/81/506351281.db2.gz LMBYMLALUPERQL-CYBMUJFWSA-N 1 1 353.378 3.446 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC(C)(C)C#N ZINC000502012242 503126909 /nfs/dbraw/zinc/12/69/09/503126909.db2.gz DKHXEAUICDYYLB-APWZRJJASA-N 1 1 356.514 3.389 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC(C)(C)C#N ZINC000502012242 503126914 /nfs/dbraw/zinc/12/69/14/503126914.db2.gz DKHXEAUICDYYLB-APWZRJJASA-N 1 1 356.514 3.389 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506527710 503132224 /nfs/dbraw/zinc/13/22/24/503132224.db2.gz PWEPAKMISIYOMN-INIZCTEOSA-N 1 1 357.473 3.357 20 30 FGEDMO CC[N@@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccccc1 ZINC000506857679 503186170 /nfs/dbraw/zinc/18/61/70/503186170.db2.gz KFLBXVFGWXKUGM-OALUTQOASA-N 1 1 372.513 3.078 20 30 FGEDMO CC[N@H+]1CCO[C@@H](CNC(=O)NCC(C)(C)CCC#N)[C@@H]1c1ccccc1 ZINC000506857679 503186173 /nfs/dbraw/zinc/18/61/73/503186173.db2.gz KFLBXVFGWXKUGM-OALUTQOASA-N 1 1 372.513 3.078 20 30 FGEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000498570988 503216258 /nfs/dbraw/zinc/21/62/58/503216258.db2.gz QZAQVGXNKUCHRT-JKSUJKDBSA-N 1 1 367.449 3.285 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000498570988 503216261 /nfs/dbraw/zinc/21/62/61/503216261.db2.gz QZAQVGXNKUCHRT-JKSUJKDBSA-N 1 1 367.449 3.285 20 30 FGEDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000498707980 503243765 /nfs/dbraw/zinc/24/37/65/503243765.db2.gz RRGDRXFBYTUFTB-KRWDZBQOSA-N 1 1 363.461 3.303 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507260459 503263452 /nfs/dbraw/zinc/26/34/52/503263452.db2.gz ILSWUJXJDCLWKU-YWZLYKJASA-N 1 1 360.477 3.145 20 30 FGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccsc1 ZINC000498849572 503275371 /nfs/dbraw/zinc/27/53/71/503275371.db2.gz KAVNHOUUXDZZTP-INIZCTEOSA-N 1 1 369.556 3.134 20 30 FGEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000515461030 503342849 /nfs/dbraw/zinc/34/28/49/503342849.db2.gz BOHWKJPTVQEVNN-OAQYLSRUSA-N 1 1 354.425 3.003 20 30 FGEDMO C[N@@H+](CCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)C1CCCCC1 ZINC000515707627 503387843 /nfs/dbraw/zinc/38/78/43/503387843.db2.gz QLWVDZSHIWKAPK-UHFFFAOYSA-N 1 1 369.918 3.145 20 30 FGEDMO N#Cc1cccc(OCC[NH+]2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000507895507 503390263 /nfs/dbraw/zinc/39/02/63/503390263.db2.gz OGZDBYFHGZBWCU-UHFFFAOYSA-N 1 1 364.474 3.369 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[C@H]1C#N ZINC000602976420 506369839 /nfs/dbraw/zinc/36/98/39/506369839.db2.gz PMIGIIFYUTXPBW-BBRMVZONSA-N 1 1 356.495 3.451 20 30 FGEDMO C[C@H]1COCCN1CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000499496153 503419081 /nfs/dbraw/zinc/41/90/81/503419081.db2.gz ZMSUARUCRGYXEW-SFHVURJKSA-N 1 1 367.468 3.420 20 30 FGEDMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(C#N)cc1F ZINC000512283189 503508301 /nfs/dbraw/zinc/50/83/01/503508301.db2.gz ZCZARMRRQOFIIG-VBKZILBWSA-N 1 1 366.440 3.320 20 30 FGEDMO Cc1c(C#N)cccc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000512358980 503527907 /nfs/dbraw/zinc/52/79/07/503527907.db2.gz ZBRXMBVSYIEKOY-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO Cc1c(C#N)cccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000512358980 503527910 /nfs/dbraw/zinc/52/79/10/503527910.db2.gz ZBRXMBVSYIEKOY-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO CC[N@@H+](CCNC(=O)N[C@H](C)c1ccc(C#N)cc1)CCC(F)(F)F ZINC000494575393 503567041 /nfs/dbraw/zinc/56/70/41/503567041.db2.gz ROERHMAMROTLMK-CYBMUJFWSA-N 1 1 356.392 3.193 20 30 FGEDMO CC(C)(C)Oc1cccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000508839292 503574111 /nfs/dbraw/zinc/57/41/11/503574111.db2.gz TZQLIIPGNDWGMZ-UHFFFAOYSA-N 1 1 364.493 3.448 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C#N)c1ccccc1F ZINC000500250200 503588811 /nfs/dbraw/zinc/58/88/11/503588811.db2.gz CLYDWCZCDXLVBN-XFQXTVEOSA-N 1 1 351.425 3.275 20 30 FGEDMO C=CCn1c([C@@H](C)CC)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000508944249 503605149 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C=CC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000543207099 503679603 /nfs/dbraw/zinc/67/96/03/503679603.db2.gz LCZMOYNMCJWQEJ-UHFFFAOYSA-N 1 1 366.483 3.437 20 30 FGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529724048 503682574 /nfs/dbraw/zinc/68/25/74/503682574.db2.gz VVJJGXGVONNZEV-SFHVURJKSA-N 1 1 355.482 3.239 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000527159711 503700915 /nfs/dbraw/zinc/70/09/15/503700915.db2.gz ZYSRSJFTERMJMD-LEWJYISDSA-N 1 1 371.525 3.418 20 30 FGEDMO C[NH+]1CCC(C#N)(NC(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000536788801 503723934 /nfs/dbraw/zinc/72/39/34/503723934.db2.gz DEHXRELLMVMTSY-UHFFFAOYSA-N 1 1 360.870 3.181 20 30 FGEDMO C=CCOc1ccccc1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000529838783 503729175 /nfs/dbraw/zinc/72/91/75/503729175.db2.gz YTJBPVGENHAXON-GOSISDBHSA-N 1 1 366.461 3.264 20 30 FGEDMO C=CCOc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000529838783 503729177 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CC[N@@H+](CCC1CCN(C(=O)COc2ccccc2C#N)CC1)CC1CC1 ZINC000540014500 504759859 /nfs/dbraw/zinc/75/98/59/504759859.db2.gz QHQIRLJQXFRLMO-UHFFFAOYSA-N 1 1 369.509 3.298 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000540044862 504765551 /nfs/dbraw/zinc/76/55/51/504765551.db2.gz QEMZMMWKAQDFKR-OAGGEKHMSA-N 1 1 360.527 3.044 20 30 FGEDMO CC[N@@H+](CCC1CCN(C(=O)Cc2cccc(C#N)c2)CC1)CC1CC1 ZINC000536591709 504767388 /nfs/dbraw/zinc/76/73/88/504767388.db2.gz AHTDZIUSTMLDMM-UHFFFAOYSA-N 1 1 353.510 3.461 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000565047512 504780808 /nfs/dbraw/zinc/78/08/08/504780808.db2.gz SXBAWHHNWUIWBM-UHFFFAOYSA-N 1 1 368.412 3.313 20 30 FGEDMO COc1cc(OC)c2ncc(C#N)c(N3CCC[N@H+](C(C)(C)C)CC3)c2c1 ZINC000553009660 504803345 /nfs/dbraw/zinc/80/33/45/504803345.db2.gz VUKMBYCQSCKQDO-UHFFFAOYSA-N 1 1 368.481 3.434 20 30 FGEDMO Cc1ccnc([C@@H]2CC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)c1 ZINC000565173493 504816052 /nfs/dbraw/zinc/81/60/52/504816052.db2.gz UFMYWTMJBCKJMC-WIYYLYMNSA-N 1 1 360.461 3.247 20 30 FGEDMO COc1cc(C[N@@H+]2CC[C@H](Nc3snc(C)c3C#N)C2)cc(OC)c1 ZINC000553109773 504829916 /nfs/dbraw/zinc/82/99/16/504829916.db2.gz IBDWHZUXSMZZPG-AWEZNQCLSA-N 1 1 358.467 3.027 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@H](Nc3snc(C)c3C#N)C2)cc(OC)c1 ZINC000553109773 504829921 /nfs/dbraw/zinc/82/99/21/504829921.db2.gz IBDWHZUXSMZZPG-AWEZNQCLSA-N 1 1 358.467 3.027 20 30 FGEDMO CC(C)n1c(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C ZINC000556457700 504880449 /nfs/dbraw/zinc/88/04/49/504880449.db2.gz PMPYGOGNPKPQFG-UHFFFAOYSA-N 1 1 366.513 3.350 20 30 FGEDMO Cc1onc(C2CC2)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000562635896 504888615 /nfs/dbraw/zinc/88/86/15/504888615.db2.gz IHVLKMHSZDXBAX-UHFFFAOYSA-N 1 1 364.449 3.080 20 30 FGEDMO Cc1onc(C2CC2)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000562635896 504888619 /nfs/dbraw/zinc/88/86/19/504888619.db2.gz IHVLKMHSZDXBAX-UHFFFAOYSA-N 1 1 364.449 3.080 20 30 FGEDMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000562683149 504907745 /nfs/dbraw/zinc/90/77/45/504907745.db2.gz YOALFXHOIOBMLC-RLLQIKCJSA-N 1 1 354.498 3.200 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)sc2c1CCC2 ZINC000562716968 504920155 /nfs/dbraw/zinc/92/01/55/504920155.db2.gz RZJFVYWYVCJRAQ-DJIMGWMZSA-N 1 1 373.522 3.062 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1Cl ZINC000559930103 504952616 /nfs/dbraw/zinc/95/26/16/504952616.db2.gz YRDBOWVCJIADQR-HNNXBMFYSA-N 1 1 358.873 3.487 20 30 FGEDMO C=CCC(C)(C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000559981161 504963153 /nfs/dbraw/zinc/96/31/53/504963153.db2.gz GGIPBFCAKBRHOT-GOSISDBHSA-N 1 1 357.498 3.394 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)cc1 ZINC000565702979 504963278 /nfs/dbraw/zinc/96/32/78/504963278.db2.gz CFHQWDWZGSYLFA-NRFANRHFSA-N 1 1 359.473 3.444 20 30 FGEDMO N#Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc(N)c1[N+](=O)[O-] ZINC000550345183 505026545 /nfs/dbraw/zinc/02/65/45/505026545.db2.gz WPGAWRCIBDSHHW-UHFFFAOYSA-N 1 1 371.828 3.024 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000553889705 505034258 /nfs/dbraw/zinc/03/42/58/505034258.db2.gz VQIHLFKSVYEQDY-SUMWQHHRSA-N 1 1 350.304 3.483 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2c(F)cccc2C#N)[C@H]1c1ccccc1 ZINC000557061340 505056155 /nfs/dbraw/zinc/05/61/55/505056155.db2.gz XTGUFXRXLKBYRS-XMSQKQJNSA-N 1 1 365.452 3.439 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000560379452 505065251 /nfs/dbraw/zinc/06/52/51/505065251.db2.gz ALRUQWTWMRVPOG-IBGZPJMESA-N 1 1 350.466 3.148 20 30 FGEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)CC2 ZINC000563243134 505086139 /nfs/dbraw/zinc/08/61/39/505086139.db2.gz BIIWDFRUDGKECK-XHDPSFHLSA-N 1 1 363.248 3.442 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000554142371 505103949 /nfs/dbraw/zinc/10/39/49/505103949.db2.gz PJYYZHXEWPYLRV-SFHVURJKSA-N 1 1 368.399 3.438 20 30 FGEDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000566214171 505114150 /nfs/dbraw/zinc/11/41/50/505114150.db2.gz WVLMDBKJSHLOKH-ZDUSSCGKSA-N 1 1 372.284 3.498 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000550952306 505129475 /nfs/dbraw/zinc/12/94/75/505129475.db2.gz QRXHACJGDTVBBT-IYBDPMFKSA-N 1 1 364.449 3.123 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000550952306 505129477 /nfs/dbraw/zinc/12/94/77/505129477.db2.gz QRXHACJGDTVBBT-IYBDPMFKSA-N 1 1 364.449 3.123 20 30 FGEDMO C[C@@H](C#N)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557448742 505137320 /nfs/dbraw/zinc/13/73/20/505137320.db2.gz NARZGAVTCMBENY-GHTZIAJQSA-N 1 1 362.477 3.234 20 30 FGEDMO CC[N@H+]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000557539243 505161092 /nfs/dbraw/zinc/16/10/92/505161092.db2.gz UTWHAIBMOMAKSH-KRWDZBQOSA-N 1 1 363.461 3.303 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000557537890 505161342 /nfs/dbraw/zinc/16/13/42/505161342.db2.gz KCFFZYIPGKSHQM-CJNGLKHVSA-N 1 1 351.410 3.296 20 30 FGEDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000551424325 505224361 /nfs/dbraw/zinc/22/43/61/505224361.db2.gz YWNKFWKKZJOFKK-OAHLLOKOSA-N 1 1 364.287 3.201 20 30 FGEDMO N#Cc1ccncc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000561081338 505245765 /nfs/dbraw/zinc/24/57/65/505245765.db2.gz HTBXIXUUDYODPC-UHFFFAOYSA-N 1 1 356.429 3.064 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000554749854 505256634 /nfs/dbraw/zinc/25/66/34/505256634.db2.gz YJWKJUPIXHSSNZ-NWDGAFQWSA-N 1 1 370.266 3.247 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ncc2cc(C#N)ccc2n1 ZINC000551959099 505354649 /nfs/dbraw/zinc/35/46/49/505354649.db2.gz JCHOQWKLUIJUKP-DNVCBOLYSA-N 1 1 371.444 3.208 20 30 FGEDMO COC(=O)c1csc(-c2cccc(C[NH2+]C[C@@H](C#N)CCC#N)c2)n1 ZINC000555377831 505421862 /nfs/dbraw/zinc/42/18/62/505421862.db2.gz DYHPNPUJFKKCIM-CQSZACIVSA-N 1 1 354.435 3.130 20 30 FGEDMO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000561794332 505438867 /nfs/dbraw/zinc/43/88/67/505438867.db2.gz YPFNOFFSFKAUDD-GOSISDBHSA-N 1 1 369.509 3.402 20 30 FGEDMO C=CCc1cc(OC)ccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000555564183 505458757 /nfs/dbraw/zinc/45/87/57/505458757.db2.gz CBHUIKJDQQFEEB-HXUWFJFHSA-N 1 1 353.462 3.222 20 30 FGEDMO Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c(OC(C)C)c1 ZINC000564849219 505538504 /nfs/dbraw/zinc/53/85/04/505538504.db2.gz KDMDMTSGNJUYMD-UHFFFAOYSA-N 1 1 372.490 3.217 20 30 FGEDMO C=C(C)Cn1c(CC)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000558996601 505547999 /nfs/dbraw/zinc/54/79/99/505547999.db2.gz LTRHXAHMMIHIGJ-KRWDZBQOSA-N 1 1 369.513 3.308 20 30 FGEDMO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000559047249 505557071 /nfs/dbraw/zinc/55/70/71/505557071.db2.gz PRLUQIPVLQUAPH-RTWAWAEBSA-N 1 1 362.477 3.237 20 30 FGEDMO C[C@H]1C[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)CCc2ccccc21 ZINC000593090865 506387028 /nfs/dbraw/zinc/38/70/28/506387028.db2.gz KFDBGFORCQNXAA-KBXCAEBGSA-N 1 1 351.475 3.387 20 30 FGEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)COc1ccccc1C#N ZINC000599262914 506390674 /nfs/dbraw/zinc/39/06/74/506390674.db2.gz BXQRJDBLADSVLS-QGZVFWFLSA-N 1 1 364.367 3.449 20 30 FGEDMO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588960523 506395846 /nfs/dbraw/zinc/39/58/46/506395846.db2.gz WUBWOIJBCLEPLW-IBGZPJMESA-N 1 1 357.479 3.056 20 30 FGEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000588960523 506395853 /nfs/dbraw/zinc/39/58/53/506395853.db2.gz WUBWOIJBCLEPLW-IBGZPJMESA-N 1 1 357.479 3.056 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@H](C)CCO)c1C#N ZINC000593108737 506397954 /nfs/dbraw/zinc/39/79/54/506397954.db2.gz ZKKKVUZVXZYAAE-CQSZACIVSA-N 1 1 360.502 3.123 20 30 FGEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000599295207 506401414 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3.478 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc2ccccc2n1CC#N ZINC000589104242 506442274 /nfs/dbraw/zinc/44/22/74/506442274.db2.gz FQLCCQYIJQRQSB-QGZVFWFLSA-N 1 1 360.461 3.415 20 30 FGEDMO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000593187971 506452232 /nfs/dbraw/zinc/45/22/32/506452232.db2.gz WPODHKSLCFLPPA-BZUAXINKSA-N 1 1 367.449 3.283 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000593187971 506452237 /nfs/dbraw/zinc/45/22/37/506452237.db2.gz WPODHKSLCFLPPA-BZUAXINKSA-N 1 1 367.449 3.283 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000612130768 506452838 /nfs/dbraw/zinc/45/28/38/506452838.db2.gz MMQCEWKVAWGPGQ-CZUORRHYSA-N 1 1 361.873 3.287 20 30 FGEDMO N#CC1(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000612132531 506454852 /nfs/dbraw/zinc/45/48/52/506454852.db2.gz XEOHQQVZEPBGAI-HSALFYBXSA-N 1 1 351.494 3.487 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)CCOCC1 ZINC000599436811 506456410 /nfs/dbraw/zinc/45/64/10/506456410.db2.gz NDNGRFFCUHPLNM-UXHICEINSA-N 1 1 354.494 3.327 20 30 FGEDMO N#CC1(CCCn2cc(C[NH2+][C@@H]3CCc4ccccc43)nn2)CCOCC1 ZINC000603234693 506463883 /nfs/dbraw/zinc/46/38/83/506463883.db2.gz POZISGZNHDKKSX-HXUWFJFHSA-N 1 1 365.481 3.156 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)s1 ZINC000599477075 506467642 /nfs/dbraw/zinc/46/76/42/506467642.db2.gz CFKRMWBPBUAETP-OAHLLOKOSA-N 1 1 355.463 3.489 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000596596254 506481117 /nfs/dbraw/zinc/48/11/17/506481117.db2.gz LVOVECGGIHSZTO-CBNMVNINSA-N 1 1 368.525 3.275 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC2CCC(C#N)CC2)C1 ZINC000596596255 506481301 /nfs/dbraw/zinc/48/13/01/506481301.db2.gz LVOVECGGIHSZTO-XVAXZDLZSA-N 1 1 368.525 3.275 20 30 FGEDMO O=C(Nc1cccc(C#Cc2cccs2)c1)N1CC[NH+](C2CC2)CC1 ZINC000608273228 506485909 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30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCc2ccc(C#N)cc2)C1 ZINC000596670229 506523863 /nfs/dbraw/zinc/52/38/63/506523863.db2.gz BPZBGMJNLYNZJX-OAQYLSRUSA-N 1 1 362.477 3.017 20 30 FGEDMO C[C@H](Cc1ccco1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000596694713 506543799 /nfs/dbraw/zinc/54/37/99/506543799.db2.gz PCRVSNNSYMHXKQ-QGZVFWFLSA-N 1 1 351.450 3.064 20 30 FGEDMO C[C@H](Cc1ccco1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000596694713 506543809 /nfs/dbraw/zinc/54/38/09/506543809.db2.gz PCRVSNNSYMHXKQ-QGZVFWFLSA-N 1 1 351.450 3.064 20 30 FGEDMO N#CCc1cccc2c1CC[N@@H+](CC(=O)N1CCC[C@@H]3CCCC[C@@H]31)C2 ZINC000599675047 506572720 /nfs/dbraw/zinc/57/27/20/506572720.db2.gz HQNLOIRTECIOSB-RXVVDRJESA-N 1 1 351.494 3.292 20 30 FGEDMO N#CCc1cccc2c1CC[N@H+](CC(=O)N1CCC[C@@H]3CCCC[C@@H]31)C2 ZINC000599675047 506572723 /nfs/dbraw/zinc/57/27/23/506572723.db2.gz HQNLOIRTECIOSB-RXVVDRJESA-N 1 1 351.494 3.292 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2c(C)noc2C)cc1 ZINC000612461486 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368.868 3.211 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603905459 506655076 /nfs/dbraw/zinc/65/50/76/506655076.db2.gz FJXMIHOIHBKURP-CALCHBBNSA-N 1 1 366.490 3.017 20 30 FGEDMO CC[C@@H](C#N)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593540385 506678622 /nfs/dbraw/zinc/67/86/22/506678622.db2.gz ULVSZHFNWPSABN-ZWKOTPCHSA-N 1 1 351.454 3.127 20 30 FGEDMO C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000583339160 506724962 /nfs/dbraw/zinc/72/49/62/506724962.db2.gz WPCKBDBORXCGRV-HNNXBMFYSA-N 1 1 365.437 3.149 20 30 FGEDMO COc1ccc(C[C@H]2CCCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000593676963 506725750 /nfs/dbraw/zinc/72/57/50/506725750.db2.gz RKHVIQBRJOHDBO-LJQANCHMSA-N 1 1 361.449 3.207 20 30 FGEDMO Cc1cc(CNC(=O)Nc2ccc(F)c(C#N)c2)cc(N2CCCC2)[nH+]1 ZINC000583351075 506731084 /nfs/dbraw/zinc/73/10/84/506731084.db2.gz IIFNEMNGAOYKGV-UHFFFAOYSA-N 1 1 353.401 3.323 20 30 FGEDMO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000597014091 506732703 /nfs/dbraw/zinc/73/27/03/506732703.db2.gz FDTLXDRLQZBGLP-UHFFFAOYSA-N 1 1 366.461 3.253 20 30 FGEDMO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000597014091 506732706 /nfs/dbraw/zinc/73/27/06/506732706.db2.gz FDTLXDRLQZBGLP-UHFFFAOYSA-N 1 1 366.461 3.253 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCC(N[C@H](c3nnc[nH]3)c3ccccc3)CC2)c1 ZINC000593723374 506748149 /nfs/dbraw/zinc/74/81/49/506748149.db2.gz VBDRTDSQCJHWSV-NRFANRHFSA-N 1 1 372.476 3.020 20 30 FGEDMO N#Cc1ccc(Nc2cccc(C(=O)N3CC[NH+](CCCF)CC3)c2)cc1 ZINC000600072103 506765477 /nfs/dbraw/zinc/76/54/77/506765477.db2.gz LNVFOIIHPHPXLN-UHFFFAOYSA-N 1 1 366.440 3.419 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000590326408 506795157 /nfs/dbraw/zinc/79/51/57/506795157.db2.gz QNAMKTQMUWKOHX-QHAWAJNXSA-N 1 1 374.488 3.292 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609157724 506798172 /nfs/dbraw/zinc/79/81/72/506798172.db2.gz SAQWJVHLUJCVAY-CJNGLKHVSA-N 1 1 357.845 3.072 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609157724 506798177 /nfs/dbraw/zinc/79/81/77/506798177.db2.gz SAQWJVHLUJCVAY-CJNGLKHVSA-N 1 1 357.845 3.072 20 30 FGEDMO C[N@@H+]1CCN(C(=O)c2cc3ccccc3n2CC#N)[C@H](c2ccccc2)C1 ZINC000609161470 506799420 /nfs/dbraw/zinc/79/94/20/506799420.db2.gz HOWLZTFKTWBITJ-NRFANRHFSA-N 1 1 358.445 3.294 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2cc3ccccc3n2CC#N)[C@H](c2ccccc2)C1 ZINC000609161470 506799427 /nfs/dbraw/zinc/79/94/27/506799427.db2.gz HOWLZTFKTWBITJ-NRFANRHFSA-N 1 1 358.445 3.294 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233590 506822258 /nfs/dbraw/zinc/82/22/58/506822258.db2.gz GRTUCCKULYJLIE-MJGOQNOKSA-N 1 1 355.482 3.181 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233590 506822261 /nfs/dbraw/zinc/82/22/61/506822261.db2.gz GRTUCCKULYJLIE-MJGOQNOKSA-N 1 1 355.482 3.181 20 30 FGEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000609280882 506832786 /nfs/dbraw/zinc/83/27/86/506832786.db2.gz UAZCPQIMTXYJBQ-HXUWFJFHSA-N 1 1 363.461 3.410 20 30 FGEDMO COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000609280882 506832791 /nfs/dbraw/zinc/83/27/91/506832791.db2.gz UAZCPQIMTXYJBQ-HXUWFJFHSA-N 1 1 363.461 3.410 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000604473454 506840545 /nfs/dbraw/zinc/84/05/45/506840545.db2.gz SQPAEIRUIQLTJA-PGRDOPGGSA-N 1 1 371.525 3.153 20 30 FGEDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000609316225 506848220 /nfs/dbraw/zinc/84/82/20/506848220.db2.gz GUYFZMVECCGXBE-UHFFFAOYSA-N 1 1 364.380 3.425 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1OCCCC#N ZINC000597230479 506850167 /nfs/dbraw/zinc/85/01/67/506850167.db2.gz GUFLKYCWPSYLAS-GOSISDBHSA-N 1 1 373.497 3.114 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000594016667 506885577 /nfs/dbraw/zinc/88/55/77/506885577.db2.gz COGKQVRQWAMGEK-JKSUJKDBSA-N 1 1 361.511 3.114 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1CO ZINC000594016667 506885580 /nfs/dbraw/zinc/88/55/80/506885580.db2.gz COGKQVRQWAMGEK-JKSUJKDBSA-N 1 1 361.511 3.114 20 30 FGEDMO COc1ccc(C)cc1C[NH+]1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000609448466 506886026 /nfs/dbraw/zinc/88/60/26/506886026.db2.gz RNEMBHCVGZBYOE-UHFFFAOYSA-N 1 1 356.857 3.246 20 30 FGEDMO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000600310265 506897290 /nfs/dbraw/zinc/89/72/90/506897290.db2.gz GZOSAEIGALAHGH-MRXNPFEDSA-N 1 1 367.449 3.192 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000590691265 506911779 /nfs/dbraw/zinc/91/17/79/506911779.db2.gz RUZCTORJBIDTIH-KRWDZBQOSA-N 1 1 371.282 3.426 20 30 FGEDMO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)c2)cc1 ZINC000609660707 506965191 /nfs/dbraw/zinc/96/51/91/506965191.db2.gz MMCVPTNHWISFMY-LJQANCHMSA-N 1 1 361.445 3.104 20 30 FGEDMO Cc1cc(Br)cc(C)c1C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609676554 506972080 /nfs/dbraw/zinc/97/20/80/506972080.db2.gz OSCXLGHOMGWRIQ-QGZVFWFLSA-N 1 1 372.266 3.254 20 30 FGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609680749 506974138 /nfs/dbraw/zinc/97/41/38/506974138.db2.gz BXYVWFBMTPHDNP-DUXKGJEZSA-N 1 1 350.462 3.370 20 30 FGEDMO CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1C#N ZINC000590845960 506996576 /nfs/dbraw/zinc/99/65/76/506996576.db2.gz DPPBSLAXNLJLKW-KRWDZBQOSA-N 1 1 356.470 3.341 20 30 FGEDMO C[C@H](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)[N@H+]1CCCC[C@@H]1C ZINC000594209865 507011618 /nfs/dbraw/zinc/01/16/18/507011618.db2.gz XJDQTFPKVNKBBN-DLBZAZTESA-N 1 1 354.498 3.500 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000613302213 507020121 /nfs/dbraw/zinc/02/01/21/507020121.db2.gz UYEMNNHASQSTTJ-SFHVURJKSA-N 1 1 364.449 3.305 20 30 FGEDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000597604499 507026370 /nfs/dbraw/zinc/02/63/70/507026370.db2.gz JDJAZQQLZMRHSI-SFHVURJKSA-N 1 1 364.449 3.302 20 30 FGEDMO COc1cccc(NC(=O)CC[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000583895818 507037125 /nfs/dbraw/zinc/03/71/25/507037125.db2.gz ZWTOZOKCAIDLLF-UHFFFAOYSA-N 1 1 367.449 3.044 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](c2cccnc2)C1)c1cccc(Cl)c1 ZINC000583932590 507057554 /nfs/dbraw/zinc/05/75/54/507057554.db2.gz XMVLZAXWBFASJE-QGZVFWFLSA-N 1 1 368.868 3.471 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H](c2cccnc2)C1)c1cccc(Cl)c1 ZINC000583932590 507057564 /nfs/dbraw/zinc/05/75/64/507057564.db2.gz XMVLZAXWBFASJE-QGZVFWFLSA-N 1 1 368.868 3.471 20 30 FGEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3sccc3C#N)c2)C[C@@H](C)O1 ZINC000609976126 507060178 /nfs/dbraw/zinc/06/01/78/507060178.db2.gz XAOXQFIFQIJXRL-ZIAGYGMSSA-N 1 1 355.463 3.481 20 30 FGEDMO N#Cc1ccc(CN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C2CC2)cc1 ZINC000594283991 507063607 /nfs/dbraw/zinc/06/36/07/507063607.db2.gz PNELQKGXQYEXON-PMACEKPBSA-N 1 1 352.482 3.249 20 30 FGEDMO C=C[C@](C)(O)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000613435684 507087109 /nfs/dbraw/zinc/08/71/09/507087109.db2.gz OCHMJSFHWYLQDE-KRWDZBQOSA-N 1 1 357.281 3.011 20 30 FGEDMO COc1ccccc1[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccco1 ZINC000600741425 507093288 /nfs/dbraw/zinc/09/32/88/507093288.db2.gz NPZKPHYGHSTPQP-UZLBHIALSA-N 1 1 370.449 3.039 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](CCCO)C2CC2)c1C#N ZINC000610132973 507110885 /nfs/dbraw/zinc/11/08/85/507110885.db2.gz NSFSIUHVQSKHFM-UHFFFAOYSA-N 1 1 372.513 3.267 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](CCCO)C2CC2)c1C#N ZINC000610132973 507110889 /nfs/dbraw/zinc/11/08/89/507110889.db2.gz NSFSIUHVQSKHFM-UHFFFAOYSA-N 1 1 372.513 3.267 20 30 FGEDMO C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160267 507120469 /nfs/dbraw/zinc/12/04/69/507120469.db2.gz HBMMEXCPFXGNGJ-QRWLVFNGSA-N 1 1 366.421 3.168 20 30 FGEDMO C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160267 507120473 /nfs/dbraw/zinc/12/04/73/507120473.db2.gz HBMMEXCPFXGNGJ-QRWLVFNGSA-N 1 1 366.421 3.168 20 30 FGEDMO C[N@@H+](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CCC1 ZINC000600816892 507134669 /nfs/dbraw/zinc/13/46/69/507134669.db2.gz UQMWRNLIHVWCNN-UHFFFAOYSA-N 1 1 362.433 3.233 20 30 FGEDMO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000594440994 507135283 /nfs/dbraw/zinc/13/52/83/507135283.db2.gz KMRAVMFDYVGKDR-MSOLQXFVSA-N 1 1 362.905 3.004 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](CCO)C2)c1 ZINC000610213648 507141701 /nfs/dbraw/zinc/14/17/01/507141701.db2.gz LSNSVNWFONEPHC-RBUKOAKNSA-N 1 1 357.498 3.033 20 30 FGEDMO C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000594551844 507181937 /nfs/dbraw/zinc/18/19/37/507181937.db2.gz SFFSOKQUMUQUHO-VHSSKADRSA-N 1 1 360.889 3.145 20 30 FGEDMO C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000594551844 507181943 /nfs/dbraw/zinc/18/19/43/507181943.db2.gz SFFSOKQUMUQUHO-VHSSKADRSA-N 1 1 360.889 3.145 20 30 FGEDMO N#Cc1c(Cl)cccc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000610315694 507189053 /nfs/dbraw/zinc/18/90/53/507189053.db2.gz UPRHIRWQPWRBJK-UHFFFAOYSA-N 1 1 369.852 3.305 20 30 FGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000591409970 507239429 /nfs/dbraw/zinc/23/94/29/507239429.db2.gz FNIJJRDWQAWLLX-ICSRJNTNSA-N 1 1 354.498 3.451 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000594716351 507250103 /nfs/dbraw/zinc/25/01/03/507250103.db2.gz LWSNTHUCCRDRJE-HTAPYJJXSA-N 1 1 365.477 3.382 20 30 FGEDMO C=CCCC[N@H+](C)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000605740713 507281317 /nfs/dbraw/zinc/28/13/17/507281317.db2.gz UHSUWYPGIMPOOO-UHFFFAOYSA-N 1 1 358.482 3.241 20 30 FGEDMO C[N@@H+](CCC(=O)NC1(c2cccc(C#N)c2)CCOCC1)C1CCCCC1 ZINC000598244721 507338907 /nfs/dbraw/zinc/33/89/07/507338907.db2.gz BRZMDFNXOSTRLL-UHFFFAOYSA-N 1 1 369.509 3.335 20 30 FGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000614175616 507395311 /nfs/dbraw/zinc/39/53/11/507395311.db2.gz ZZEKAWQCFSACSL-QGZVFWFLSA-N 1 1 365.437 3.477 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](CCSc3ccc(F)cc3F)CC2)nc1 ZINC000595295808 507450721 /nfs/dbraw/zinc/45/07/21/507450721.db2.gz SOAQEZDAOBAGIY-UHFFFAOYSA-N 1 1 360.433 3.146 20 30 FGEDMO C=CCOc1c(Br)cc(CNCCC[NH+]2CCC2)cc1OC ZINC000584729532 507474087 /nfs/dbraw/zinc/47/40/87/507474087.db2.gz BGMXQHVESZSLHY-UHFFFAOYSA-N 1 1 369.303 3.208 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000610998353 507476673 /nfs/dbraw/zinc/47/66/73/507476673.db2.gz YGSHWQILNYAOLV-UXHICEINSA-N 1 1 369.509 3.299 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1ccnc(C#N)c1 ZINC000610997852 507476925 /nfs/dbraw/zinc/47/69/25/507476925.db2.gz KGYIUIWRHMZUTC-VGOFRKELSA-N 1 1 363.509 3.389 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1ccnc(C#N)c1 ZINC000610997852 507476930 /nfs/dbraw/zinc/47/69/30/507476930.db2.gz KGYIUIWRHMZUTC-VGOFRKELSA-N 1 1 363.509 3.389 20 30 FGEDMO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610997852 507476935 /nfs/dbraw/zinc/47/69/35/507476935.db2.gz KGYIUIWRHMZUTC-VGOFRKELSA-N 1 1 363.509 3.389 20 30 FGEDMO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610997852 507476940 /nfs/dbraw/zinc/47/69/40/507476940.db2.gz KGYIUIWRHMZUTC-VGOFRKELSA-N 1 1 363.509 3.389 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598560858 507487259 /nfs/dbraw/zinc/48/72/59/507487259.db2.gz ODALHECFBRVIQN-NQIIRXRSSA-N 1 1 369.509 3.200 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000614402441 507498178 /nfs/dbraw/zinc/49/81/78/507498178.db2.gz YCMPIJZUDQWMFS-QGZVFWFLSA-N 1 1 367.415 3.490 20 30 FGEDMO CCOc1cc(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)ccc1OC(F)F ZINC000598588284 507508732 /nfs/dbraw/zinc/50/87/32/507508732.db2.gz HPKXCEJEJKOTIM-CQSZACIVSA-N 1 1 356.413 3.419 20 30 FGEDMO COc1cc(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)c(SC)cc1OC ZINC000598592788 507509851 /nfs/dbraw/zinc/50/98/51/507509851.db2.gz MZEUBSZCXIXCSQ-CQSZACIVSA-N 1 1 352.500 3.158 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000598597332 507512809 /nfs/dbraw/zinc/51/28/09/507512809.db2.gz ZNJWVHWGTTUDON-WBVHZDCISA-N 1 1 372.444 3.356 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)c1ccco1 ZINC000611092822 507515336 /nfs/dbraw/zinc/51/53/36/507515336.db2.gz OXGYHVAOEYEGOV-CYBMUJFWSA-N 1 1 352.221 3.491 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598609084 507515689 /nfs/dbraw/zinc/51/56/89/507515689.db2.gz QDEYKCKDCCDSHF-NXOAAHMSSA-N 1 1 350.503 3.262 20 30 FGEDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598614690 507519575 /nfs/dbraw/zinc/51/95/75/507519575.db2.gz RNDITLOJZPPEJA-AEFFLSMTSA-N 1 1 352.482 3.046 20 30 FGEDMO C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000611112900 507520899 /nfs/dbraw/zinc/52/08/99/507520899.db2.gz YEPCVBCOMJXMRQ-LJQANCHMSA-N 1 1 356.422 3.195 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c1C ZINC000592181914 507526653 /nfs/dbraw/zinc/52/66/53/507526653.db2.gz JGNWCKCCBVKRCU-SFHVURJKSA-N 1 1 369.509 3.441 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183033 507527911 /nfs/dbraw/zinc/52/79/11/507527911.db2.gz HTXYVFLTROMIRU-UONOGXRCSA-N 1 1 361.873 3.430 20 30 FGEDMO CCCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@H]1CCc2ncsc2C1 ZINC000592187261 507529187 /nfs/dbraw/zinc/52/91/87/507529187.db2.gz ISACIHDDDQAHIP-CVEARBPZSA-N 1 1 362.543 3.111 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](C(F)F)C2CCCCC2)cc1 ZINC000598650352 507532406 /nfs/dbraw/zinc/53/24/06/507532406.db2.gz RPMKMGHSAFXGAD-AEFFLSMTSA-N 1 1 352.425 3.296 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC(C)(C)CC[C@@H]2CO)c1C ZINC000598649997 507532452 /nfs/dbraw/zinc/53/24/52/507532452.db2.gz WTZOMOCUKLVIJT-GOSISDBHSA-N 1 1 357.498 3.033 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)CC[C@@H]2CO)c1C ZINC000598649997 507532457 /nfs/dbraw/zinc/53/24/57/507532457.db2.gz WTZOMOCUKLVIJT-GOSISDBHSA-N 1 1 357.498 3.033 20 30 FGEDMO C[C@@]1(C#N)CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000595501074 507532587 /nfs/dbraw/zinc/53/25/87/507532587.db2.gz RTKAHGWRTSAXDL-QYYYHEGRSA-N 1 1 352.482 3.127 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000611177066 507548201 /nfs/dbraw/zinc/54/82/01/507548201.db2.gz NEVCBZFGOHGPPB-AZUAARDMSA-N 1 1 368.868 3.185 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000611177066 507548206 /nfs/dbraw/zinc/54/82/06/507548206.db2.gz NEVCBZFGOHGPPB-AZUAARDMSA-N 1 1 368.868 3.185 20 30 FGEDMO CCN1CCC([N@@H+]2CCCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595545217 507553295 /nfs/dbraw/zinc/55/32/95/507553295.db2.gz FHHRYHKOJBECAW-FQEVSTJZSA-N 1 1 360.933 3.397 20 30 FGEDMO CCN1CCC([N@H+]2CCCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595545217 507553302 /nfs/dbraw/zinc/55/33/02/507553302.db2.gz FHHRYHKOJBECAW-FQEVSTJZSA-N 1 1 360.933 3.397 20 30 FGEDMO CC(C)[N@@H+](C)C[C@H](O)CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC000595551102 507557711 /nfs/dbraw/zinc/55/77/11/507557711.db2.gz UUABQCJSQJVSKN-YOEHRIQHSA-N 1 1 357.420 3.121 20 30 FGEDMO C[C@]1(C#N)CCN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000595578805 507571840 /nfs/dbraw/zinc/57/18/40/507571840.db2.gz JJRHCXWTFUOVGT-XAPVIXHLSA-N 1 1 366.509 3.232 20 30 FGEDMO CC(C)C[C@H](C#N)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000611251486 507582513 /nfs/dbraw/zinc/58/25/13/507582513.db2.gz USPLVEJVGDJVOD-SJLPKXTDSA-N 1 1 367.415 3.495 20 30 FGEDMO N#CC(CC[N@H+]1CC[C@H](Cn2ccnn2)C1)(c1ccccc1)c1ccccc1 ZINC000595607310 507588100 /nfs/dbraw/zinc/58/81/00/507588100.db2.gz LHPONVWULBXFNW-FQEVSTJZSA-N 1 1 371.488 3.500 20 30 FGEDMO CCCc1c(NC(=O)[C@@H]2CCCC[N@@H+]2C)cnn1-c1cccc(C#N)c1 ZINC000602141369 507606122 /nfs/dbraw/zinc/60/61/22/507606122.db2.gz MXWGCNIVQKYBCS-IBGZPJMESA-N 1 1 351.454 3.119 20 30 FGEDMO CCCc1c(NC(=O)[C@@H]2CCCC[N@H+]2C)cnn1-c1cccc(C#N)c1 ZINC000602141369 507606125 /nfs/dbraw/zinc/60/61/25/507606125.db2.gz MXWGCNIVQKYBCS-IBGZPJMESA-N 1 1 351.454 3.119 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CC1=CCCOC1 ZINC000595747238 507662579 /nfs/dbraw/zinc/66/25/79/507662579.db2.gz IGHRCIXDEPWOFL-HNNXBMFYSA-N 1 1 359.495 3.155 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000595747238 507662588 /nfs/dbraw/zinc/66/25/88/507662588.db2.gz IGHRCIXDEPWOFL-HNNXBMFYSA-N 1 1 359.495 3.155 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CC1=CCCOC1 ZINC000595746979 507663102 /nfs/dbraw/zinc/66/31/02/507663102.db2.gz HUKOGXHBHMIXHV-HNNXBMFYSA-N 1 1 359.495 3.298 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000595746979 507663108 /nfs/dbraw/zinc/66/31/08/507663108.db2.gz HUKOGXHBHMIXHV-HNNXBMFYSA-N 1 1 359.495 3.298 20 30 FGEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000586776203 507668295 /nfs/dbraw/zinc/66/82/95/507668295.db2.gz YUMJFEYWRBKEEO-YWMUFLPLSA-N 1 1 355.482 3.277 20 30 FGEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000586776203 507668301 /nfs/dbraw/zinc/66/83/01/507668301.db2.gz YUMJFEYWRBKEEO-YWMUFLPLSA-N 1 1 355.482 3.277 20 30 FGEDMO Cc1ccc(CNC(=O)c2cc(C#N)ccc2Cl)c(N2CCCC2)[nH+]1 ZINC000586805790 507679105 /nfs/dbraw/zinc/67/91/05/507679105.db2.gz BSRGIUVXIXYXSO-UHFFFAOYSA-N 1 1 354.841 3.445 20 30 FGEDMO C[N@@H+]1CC=C(CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 ZINC000611430870 507679264 /nfs/dbraw/zinc/67/92/64/507679264.db2.gz XCIVILAKPSJUNN-UHFFFAOYSA-N 1 1 363.421 3.129 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(C#N)c1C ZINC000595785394 507683460 /nfs/dbraw/zinc/68/34/60/507683460.db2.gz FEMFWVHFTIESAR-RDJZCZTQSA-N 1 1 361.511 3.456 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(C#N)c1C ZINC000595785394 507683462 /nfs/dbraw/zinc/68/34/62/507683462.db2.gz FEMFWVHFTIESAR-RDJZCZTQSA-N 1 1 361.511 3.456 20 30 FGEDMO CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000586823736 507685119 /nfs/dbraw/zinc/68/51/19/507685119.db2.gz NOEIQJNCZXOTIX-SFHVURJKSA-N 1 1 356.857 3.420 20 30 FGEDMO Cc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc(C)c1OCc1ccccn1 ZINC000592523289 507692609 /nfs/dbraw/zinc/69/26/09/507692609.db2.gz XZNLPIWSKUTBBN-NRFANRHFSA-N 1 1 351.450 3.128 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H]4COC[C@@H]4C3)sc2C1 ZINC000595836597 507708689 /nfs/dbraw/zinc/70/86/89/507708689.db2.gz WYCLQRNNAIOYBW-KFWWJZLASA-N 1 1 373.522 3.041 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCOc3ccc(O)cc3C2)cc1Cl ZINC000595846263 507711065 /nfs/dbraw/zinc/71/10/65/507711065.db2.gz YPPKNRZKLZJMMF-UHFFFAOYSA-N 1 1 371.824 3.140 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCOc3ccc(O)cc3C2)cc1Cl ZINC000595846263 507711073 /nfs/dbraw/zinc/71/10/73/507711073.db2.gz YPPKNRZKLZJMMF-UHFFFAOYSA-N 1 1 371.824 3.140 20 30 FGEDMO CC[N@H+](CCOc1ccccc1OC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000595876383 507723489 /nfs/dbraw/zinc/72/34/89/507723489.db2.gz BLMYJQQCPRIHMF-INIZCTEOSA-N 1 1 367.449 3.295 20 30 FGEDMO CC[N@@H+](CCOc1ccccc1OC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000595876383 507723495 /nfs/dbraw/zinc/72/34/95/507723495.db2.gz BLMYJQQCPRIHMF-INIZCTEOSA-N 1 1 367.449 3.295 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)CCCCC1 ZINC000595879244 507724500 /nfs/dbraw/zinc/72/45/00/507724500.db2.gz QACBNCUTFMAGSG-UHFFFAOYSA-N 1 1 365.477 3.269 20 30 FGEDMO CN(C)c1cccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611553206 507735653 /nfs/dbraw/zinc/73/56/53/507735653.db2.gz TWZYDXCCQGJUQE-OAQYLSRUSA-N 1 1 352.457 3.274 20 30 FGEDMO C=CCC[C@@H](C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000615085739 507746731 /nfs/dbraw/zinc/74/67/31/507746731.db2.gz IJNWIRQSDIBYQI-WIYYLYMNSA-N 1 1 356.510 3.448 20 30 FGEDMO CCC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736480358 598537240 /nfs/dbraw/zinc/53/72/40/598537240.db2.gz NVUISNIWOOKGLL-UHFFFAOYSA-N 1 1 362.437 3.181 20 30 FGEDMO N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739106391 600597103 /nfs/dbraw/zinc/59/71/03/600597103.db2.gz LZTJHKMELIVOMI-PZJWPPBQSA-N 1 1 363.461 3.186 20 30 FGEDMO COc1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1C#N ZINC000826193728 607490715 /nfs/dbraw/zinc/49/07/15/607490715.db2.gz NCGLJLHPRGWXHY-UHFFFAOYSA-N 1 1 362.437 3.158 20 30 FGEDMO Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832978631 601301315 /nfs/dbraw/zinc/30/13/15/601301315.db2.gz AKAZFYJKUZKWCJ-OAQYLSRUSA-N 1 1 363.461 3.247 20 30 FGEDMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000826182192 607519644 /nfs/dbraw/zinc/51/96/44/607519644.db2.gz CNNDXTUTLMNGOQ-UHFFFAOYSA-N 1 1 362.437 3.158 20 30 FGEDMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000826183089 607637433 /nfs/dbraw/zinc/63/74/33/607637433.db2.gz CWTAUQTVNANEEH-RTBURBONSA-N 1 1 374.448 3.147 20 30 FGEDMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000826183089 607637434 /nfs/dbraw/zinc/63/74/34/607637434.db2.gz CWTAUQTVNANEEH-RTBURBONSA-N 1 1 374.448 3.147 20 30 FGEDMO C=CC[N@@H+](Cc1cnc2c(C)cccn12)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914915 608632581 /nfs/dbraw/zinc/63/25/81/608632581.db2.gz OTIHHUPMLQYYOL-UHFFFAOYSA-N 1 1 359.437 3.011 20 30 FGEDMO C=CC[N@H+](Cc1cnc2c(C)cccn12)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914915 608632582 /nfs/dbraw/zinc/63/25/82/608632582.db2.gz OTIHHUPMLQYYOL-UHFFFAOYSA-N 1 1 359.437 3.011 20 30 FGEDMO FC(F)(F)Oc1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000013636212 695610745 /nfs/dbraw/zinc/61/07/45/695610745.db2.gz WBIRRKVZIVPMMW-UHFFFAOYSA-N 1 1 363.405 3.005 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](C)CN(CC)CC ZINC000045692487 695824861 /nfs/dbraw/zinc/82/48/61/695824861.db2.gz IHSZMWQYJYQNBQ-AWEZNQCLSA-N 1 1 353.304 3.281 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1ccc(SC(=O)N(C)C)cc1 ZINC000084489791 700356918 /nfs/dbraw/zinc/35/69/18/700356918.db2.gz HXTNFMWPDKITLG-CQSZACIVSA-N 1 1 364.515 3.124 20 30 FGEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000092069051 700431064 /nfs/dbraw/zinc/43/10/64/700431064.db2.gz CZDFWGGIRCYPHI-UHFFFAOYSA-N 1 1 351.372 3.473 20 30 FGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000092069051 700431065 /nfs/dbraw/zinc/43/10/65/700431065.db2.gz CZDFWGGIRCYPHI-UHFFFAOYSA-N 1 1 351.372 3.473 20 30 FGEDMO CC(C)CC(N)=[NH+]OCC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000151308107 704918005 /nfs/dbraw/zinc/91/80/05/704918005.db2.gz IMVCIGVHMIQPKG-LLVKDONJSA-N 1 1 361.364 3.097 20 30 FGEDMO C=CCN(C)Cn1nc(C[NH+]2CCCCC2)n(-c2ccccc2)c1=S ZINC000154966520 705057859 /nfs/dbraw/zinc/05/78/59/705057859.db2.gz BEIFEXYNVCCYGF-UHFFFAOYSA-N 1 1 357.527 3.464 20 30 FGEDMO C#CC[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)C1CCCC1 ZINC000155906472 705094992 /nfs/dbraw/zinc/09/49/92/705094992.db2.gz BOBMGEPIDOSVRO-IBGZPJMESA-N 1 1 353.491 3.227 20 30 FGEDMO C=CCc1cc(OC)cc(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c1O ZINC000164458069 705329046 /nfs/dbraw/zinc/32/90/46/705329046.db2.gz WVDZGJLRUNUXSC-CYBMUJFWSA-N 1 1 358.404 3.198 20 30 FGEDMO C=CCn1c(C)nn(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1=S ZINC000184954644 712679665 /nfs/dbraw/zinc/67/96/65/712679665.db2.gz GLIGDKSNNOBHOT-AWEZNQCLSA-N 1 1 363.556 3.306 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)c1ccccc1OCC#N)c1ccccc1Cl ZINC000194042963 713508526 /nfs/dbraw/zinc/50/85/26/713508526.db2.gz AIGWSMRAEJXRIA-QGZVFWFLSA-N 1 1 357.841 3.275 20 30 FGEDMO CCCCCCCS(=O)(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000194802809 713535251 /nfs/dbraw/zinc/53/52/51/713535251.db2.gz QVRWIWGIYWOTLV-UHFFFAOYSA-N 1 1 354.516 3.231 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247425733 713640601 /nfs/dbraw/zinc/64/06/01/713640601.db2.gz LDBLAMWUFMBKAV-OCCSQVGLSA-N 1 1 372.332 3.339 20 30 FGEDMO N#Cc1cc(Br)cnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309900420 713797083 /nfs/dbraw/zinc/79/70/83/713797083.db2.gz OTZZYGURBXFGDQ-MRXNPFEDSA-N 1 1 357.255 3.402 20 30 FGEDMO C=CCN(CC)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000374008350 713892784 /nfs/dbraw/zinc/89/27/84/713892784.db2.gz OKSWIFQXMDPBHK-UHFFFAOYSA-N 1 1 350.532 3.135 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000374776731 713943369 /nfs/dbraw/zinc/94/33/69/713943369.db2.gz GBFNIKRHCWVDEF-UHFFFAOYSA-N 1 1 356.426 3.272 20 30 FGEDMO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cnc3c(C#N)cnn3c1)CCC2 ZINC000521876190 714153572 /nfs/dbraw/zinc/15/35/72/714153572.db2.gz OWYZDGBZENJAKS-HNNXBMFYSA-N 1 1 352.467 3.129 20 30 FGEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cnc3c(C#N)cnn3c1)CCC2 ZINC000521876190 714153575 /nfs/dbraw/zinc/15/35/75/714153575.db2.gz OWYZDGBZENJAKS-HNNXBMFYSA-N 1 1 352.467 3.129 20 30 FGEDMO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Cl)cc1 ZINC000577597950 714466062 /nfs/dbraw/zinc/46/60/62/714466062.db2.gz YZWMHYBTPOYMEL-UHFFFAOYSA-N 1 1 357.841 3.299 20 30 FGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc(Cl)cc1 ZINC000577597950 714466063 /nfs/dbraw/zinc/46/60/63/714466063.db2.gz YZWMHYBTPOYMEL-UHFFFAOYSA-N 1 1 357.841 3.299 20 30 FGEDMO C=CCOc1c(Cl)cc(CN[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000623446228 715338227 /nfs/dbraw/zinc/33/82/27/715338227.db2.gz VYECYHXHVZRKCW-GUYCJALGSA-N 1 1 350.890 3.486 20 30 FGEDMO C=CCOc1c(Cl)cc(CN[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000623446228 715338234 /nfs/dbraw/zinc/33/82/34/715338234.db2.gz VYECYHXHVZRKCW-GUYCJALGSA-N 1 1 350.890 3.486 20 30 FGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000625700115 715775167 /nfs/dbraw/zinc/77/51/67/715775167.db2.gz JCSAFJXZWKFUJH-CYBMUJFWSA-N 1 1 350.846 3.338 20 30 FGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000625700115 715775173 /nfs/dbraw/zinc/77/51/73/715775173.db2.gz JCSAFJXZWKFUJH-CYBMUJFWSA-N 1 1 350.846 3.338 20 30 FGEDMO C=CC[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000625701225 715776096 /nfs/dbraw/zinc/77/60/96/715776096.db2.gz NZCABDFRHISRSJ-ZDUSSCGKSA-N 1 1 358.301 3.121 20 30 FGEDMO C=CC[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000625701225 715776103 /nfs/dbraw/zinc/77/61/03/715776103.db2.gz NZCABDFRHISRSJ-ZDUSSCGKSA-N 1 1 358.301 3.121 20 30 FGEDMO O=C(NCc1ccccc1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000646057004 718260139 /nfs/dbraw/zinc/26/01/39/718260139.db2.gz QUJMNIAASKVQKD-LJQANCHMSA-N 1 1 352.865 3.330 20 30 FGEDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000646057004 718260144 /nfs/dbraw/zinc/26/01/44/718260144.db2.gz QUJMNIAASKVQKD-LJQANCHMSA-N 1 1 352.865 3.330 20 30 FGEDMO C[C@@H]1CN(c2cnc(Cl)nc2Oc2ccc(C#N)cc2)[C@@H](C)C[N@H+]1C ZINC001164632655 719254037 /nfs/dbraw/zinc/25/40/37/719254037.db2.gz JNAPOSBYGKIMKF-OLZOCXBDSA-N 1 1 357.845 3.323 20 30 FGEDMO C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC000658435877 719797872 /nfs/dbraw/zinc/79/78/72/719797872.db2.gz UFDUAQGWFUWXAR-CQSZACIVSA-N 1 1 363.889 3.155 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656254 720093129 /nfs/dbraw/zinc/09/31/29/720093129.db2.gz KFMWFZPQZMOBRN-FXAWDEMLSA-N 1 1 361.555 3.069 20 30 FGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)[C@H](C)COC ZINC000661243870 720214673 /nfs/dbraw/zinc/21/46/73/720214673.db2.gz NQRAMVVBGJDWPD-GFCCVEGCSA-N 1 1 373.266 3.440 20 30 FGEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@H](C)COC ZINC000661248980 720215300 /nfs/dbraw/zinc/21/53/00/720215300.db2.gz XHWKBYDDMLVRFX-KGLIPLIRSA-N 1 1 369.303 3.149 20 30 FGEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@H](C)COC ZINC000661248980 720215313 /nfs/dbraw/zinc/21/53/13/720215313.db2.gz XHWKBYDDMLVRFX-KGLIPLIRSA-N 1 1 369.303 3.149 20 30 FGEDMO C=CCN(C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H](C)COC ZINC000663874021 720565901 /nfs/dbraw/zinc/56/59/01/720565901.db2.gz IISYIDGLPPGMNE-DLBZAZTESA-N 1 1 365.543 3.193 20 30 FGEDMO Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)ccc1CC#N ZINC001164857361 721006720 /nfs/dbraw/zinc/00/67/20/721006720.db2.gz DIOSYDNWVANYKT-MRXNPFEDSA-N 1 1 352.486 3.074 20 30 FGEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC4(C3)CC[N@@H+](CC3CC3)C4)nn2)cc1 ZINC001164771126 721280667 /nfs/dbraw/zinc/28/06/67/721280667.db2.gz ZZLQMNACRYQTSS-FQEVSTJZSA-N 1 1 373.504 3.363 20 30 FGEDMO Cc1cc(C#N)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164906404 721527608 /nfs/dbraw/zinc/52/76/08/721527608.db2.gz KYTKTBRCDZSIFK-UYAOXDASSA-N 1 1 366.440 3.051 20 30 FGEDMO Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1C#N ZINC001165026435 721810809 /nfs/dbraw/zinc/81/08/09/721810809.db2.gz QFTBSBQRIURVAG-HFSMHLIXSA-N 1 1 361.493 3.394 20 30 FGEDMO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1C#N ZINC001165021649 721818076 /nfs/dbraw/zinc/81/80/76/721818076.db2.gz FQJMSIVYFBWPEA-SESVDKBCSA-N 1 1 361.493 3.394 20 30 FGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677479937 721897261 /nfs/dbraw/zinc/89/72/61/721897261.db2.gz RSZCRGUYUWXGIA-UONOGXRCSA-N 1 1 364.287 3.297 20 30 FGEDMO C=C(C)[C@@H](CO)[NH+]1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000678049534 721935505 /nfs/dbraw/zinc/93/55/05/721935505.db2.gz LHCSTVZMXHVERN-QZTJIDSGSA-N 1 1 367.331 3.455 20 30 FGEDMO C=CCOCC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000679576865 722035866 /nfs/dbraw/zinc/03/58/66/722035866.db2.gz WGRLLIGTSSGQBJ-GFCCVEGCSA-N 1 1 365.275 3.191 20 30 FGEDMO N#Cc1cc(Cl)nnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994315 722196315 /nfs/dbraw/zinc/19/63/15/722196315.db2.gz MZLWSQYTYZKLMK-IBGZPJMESA-N 1 1 371.847 3.386 20 30 FGEDMO COCC#CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000682436219 722246630 /nfs/dbraw/zinc/24/66/30/722246630.db2.gz MRDKVJCUENWUED-UHFFFAOYSA-N 1 1 352.272 3.080 20 30 FGEDMO CO[C@@]1(C(F)(F)F)CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000682535318 722254439 /nfs/dbraw/zinc/25/44/39/722254439.db2.gz WCLCLEHSEYGWRN-VIFPVBQESA-N 1 1 359.257 3.244 20 30 FGEDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000682535318 722254441 /nfs/dbraw/zinc/25/44/41/722254441.db2.gz WCLCLEHSEYGWRN-VIFPVBQESA-N 1 1 359.257 3.244 20 30 FGEDMO C#Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000728803449 722454572 /nfs/dbraw/zinc/45/45/72/722454572.db2.gz DHJGWUPJUUWOKU-IBGZPJMESA-N 1 1 353.853 3.283 20 30 FGEDMO C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740474431 722536307 /nfs/dbraw/zinc/53/63/07/722536307.db2.gz JCMXBWNPPNPJBZ-MRXNPFEDSA-N 1 1 354.479 3.180 20 30 FGEDMO CC[NH+]1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000740483423 722536337 /nfs/dbraw/zinc/53/63/37/722536337.db2.gz RFIIAWQUUSDVLD-UHFFFAOYSA-N 1 1 354.479 3.134 20 30 FGEDMO Cc1cc(C)n(-c2nncn2[NH+]=C[C@H](C)c2cccc(Br)c2)n1 ZINC000747630056 722653388 /nfs/dbraw/zinc/65/33/88/722653388.db2.gz PXRDGYUIFDACJG-NSHDSACASA-N 1 1 373.258 3.481 20 30 FGEDMO C=CCn1nnn(C[NH2+]C(C)(C)c2ccc(Br)cc2)c1=S ZINC000747789721 722660681 /nfs/dbraw/zinc/66/06/81/722660681.db2.gz POIUFWDYTUBFLH-UHFFFAOYSA-N 1 1 368.304 3.240 20 30 FGEDMO Brc1ccc2[nH]cc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)c2c1 ZINC000753934721 722918868 /nfs/dbraw/zinc/91/88/68/722918868.db2.gz JXMXKVFESRDFJA-GASCZTMLSA-N 1 1 360.259 3.124 20 30 FGEDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000754705897 722944780 /nfs/dbraw/zinc/94/47/80/722944780.db2.gz ZNFSKLCDFDHRIW-ZDUSSCGKSA-N 1 1 371.487 3.292 20 30 FGEDMO CCCCCCCCNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000755079463 722949915 /nfs/dbraw/zinc/94/99/15/722949915.db2.gz UUQLAUUEHLBRQK-IBGZPJMESA-N 1 1 352.567 3.158 20 30 FGEDMO CCc1[nH+]c(C=NNC(=S)NCc2ccc(F)cc2)c2ccccn12 ZINC000755619576 722955135 /nfs/dbraw/zinc/95/51/35/722955135.db2.gz OZMULDDYPIFXQA-UHFFFAOYSA-N 1 1 355.442 3.034 20 30 FGEDMO C#CC[N@H+](Cn1nc(Br)c(=O)c2ccccc21)C1CCCCC1 ZINC000755733465 722956297 /nfs/dbraw/zinc/95/62/97/722956297.db2.gz FRQAAKKURDENDG-UHFFFAOYSA-N 1 1 374.282 3.384 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000756544621 722966614 /nfs/dbraw/zinc/96/66/14/722966614.db2.gz VIPBAZIPMLIWKK-OAHLLOKOSA-N 1 1 362.857 3.189 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000756544621 722966615 /nfs/dbraw/zinc/96/66/15/722966615.db2.gz VIPBAZIPMLIWKK-OAHLLOKOSA-N 1 1 362.857 3.189 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)CC(C)(C)C#N)cc1 ZINC000790008035 723093940 /nfs/dbraw/zinc/09/39/40/723093940.db2.gz XDFGDJAXTMXLPU-MRXNPFEDSA-N 1 1 363.527 3.030 20 30 FGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)CC(C)(C)C#N)cc1 ZINC000790008034 723094104 /nfs/dbraw/zinc/09/41/04/723094104.db2.gz XDFGDJAXTMXLPU-INIZCTEOSA-N 1 1 363.527 3.030 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCN(CC(F)F)[C@@H](CC)C2)c(O)c(OC)c1 ZINC000765718587 723534990 /nfs/dbraw/zinc/53/49/90/723534990.db2.gz XRRRBZMTHHJCNW-INIZCTEOSA-N 1 1 354.441 3.291 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000795720614 723607118 /nfs/dbraw/zinc/60/71/18/723607118.db2.gz VNTHTZOJUXOTCA-KRWDZBQOSA-N 1 1 359.388 3.409 20 30 FGEDMO CC1CCN(C(=O)OC[C@@H]2CCCC[N@H+]2CCCSCC#N)CC1 ZINC000796550193 723643225 /nfs/dbraw/zinc/64/32/25/723643225.db2.gz VJWZNJQIBYNXBH-KRWDZBQOSA-N 1 1 353.532 3.356 20 30 FGEDMO C#C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1F ZINC000796597841 723645754 /nfs/dbraw/zinc/64/57/54/723645754.db2.gz AJQOZEQDQSFQNP-GUYCJALGSA-N 1 1 351.853 3.327 20 30 FGEDMO C#CCCOc1ccc(C[NH+]2CCN(c3nc(C)c(C)s3)CC2)cc1 ZINC000769497286 723687358 /nfs/dbraw/zinc/68/73/58/723687358.db2.gz BVXBQTMXLIVOTB-UHFFFAOYSA-N 1 1 355.507 3.484 20 30 FGEDMO FC(F)Sc1ccc2c(c1)CCCC2=NNCCC[NH+]1CCOCC1 ZINC000799490364 724034108 /nfs/dbraw/zinc/03/41/08/724034108.db2.gz AJWHHMZXZVRJOC-UHFFFAOYSA-N 1 1 369.481 3.354 20 30 FGEDMO C#C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000775800988 724063408 /nfs/dbraw/zinc/06/34/08/724063408.db2.gz RHOXZHAORFLNOM-GXTWGEPZSA-N 1 1 360.763 3.068 20 30 FGEDMO CCCCCCCS(=O)(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000799639804 724073541 /nfs/dbraw/zinc/07/35/41/724073541.db2.gz HKAUNEWBFHXXNN-UHFFFAOYSA-N 1 1 367.559 3.146 20 30 FGEDMO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000801930543 724347041 /nfs/dbraw/zinc/34/70/41/724347041.db2.gz RGTXQOBZPKZRDH-XHDPSFHLSA-N 1 1 356.253 3.325 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000801930543 724347043 /nfs/dbraw/zinc/34/70/43/724347043.db2.gz RGTXQOBZPKZRDH-XHDPSFHLSA-N 1 1 356.253 3.325 20 30 FGEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000801930540 724347094 /nfs/dbraw/zinc/34/70/94/724347094.db2.gz RGTXQOBZPKZRDH-IAQYHMDHSA-N 1 1 356.253 3.325 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000801930540 724347095 /nfs/dbraw/zinc/34/70/95/724347095.db2.gz RGTXQOBZPKZRDH-IAQYHMDHSA-N 1 1 356.253 3.325 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784486447 724857514 /nfs/dbraw/zinc/85/75/14/724857514.db2.gz ORBYTERRRRGQHC-UKRRQHHQSA-N 1 1 353.388 3.255 20 30 FGEDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccc(C#N)s2)C1 ZINC000784732681 724875436 /nfs/dbraw/zinc/87/54/36/724875436.db2.gz RNWVGBIDDSIXTN-UHFFFAOYSA-N 1 1 355.463 3.001 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000787297087 725023967 /nfs/dbraw/zinc/02/39/67/725023967.db2.gz YYVCZLVRXGXWCS-UHFFFAOYSA-N 1 1 357.841 3.185 20 30 FGEDMO C#CCn1ccc(C[N@H+](CC)CCOc2ccccc2C(F)(F)F)n1 ZINC000789330529 725122730 /nfs/dbraw/zinc/12/27/30/725122730.db2.gz UBWUOOABLLNBAN-UHFFFAOYSA-N 1 1 351.372 3.436 20 30 FGEDMO C#CCn1ccc(C[N@@H+](CC)CCOc2ccccc2C(F)(F)F)n1 ZINC000789330529 725122731 /nfs/dbraw/zinc/12/27/31/725122731.db2.gz UBWUOOABLLNBAN-UHFFFAOYSA-N 1 1 351.372 3.436 20 30 FGEDMO C#CCCCc1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1 ZINC000809423202 725242386 /nfs/dbraw/zinc/24/23/86/725242386.db2.gz YHWOGYFPZLKMDV-UHFFFAOYSA-N 1 1 358.873 3.488 20 30 FGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000811514511 725371841 /nfs/dbraw/zinc/37/18/41/725371841.db2.gz MEWFDGNAVDIQBZ-HNNXBMFYSA-N 1 1 356.388 3.142 20 30 FGEDMO C#CC[N@H+](C[C@H](O)C(C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000814623969 726987801 /nfs/dbraw/zinc/98/78/01/726987801.db2.gz GWBHZHWFCCIILB-CVEARBPZSA-N 1 1 352.272 3.225 20 30 FGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814673889 726992088 /nfs/dbraw/zinc/99/20/88/726992088.db2.gz QWDQLOQIDITLLY-SQNIBIBYSA-N 1 1 352.519 3.283 20 30 FGEDMO C=C(Br)C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814676908 726992394 /nfs/dbraw/zinc/99/23/94/726992394.db2.gz IURPVDLWHKMAKC-OKILXGFUSA-N 1 1 359.308 3.474 20 30 FGEDMO COCc1nc(Cl)cc(N=NC2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000814974941 727015140 /nfs/dbraw/zinc/01/51/40/727015140.db2.gz LDXMIDATCJFNQO-ZDUSSCGKSA-N 1 1 359.861 3.339 20 30 FGEDMO C#CCNC(=O)CC[N@H+](CCC)[C@H](C)c1ccccc1Br ZINC000815021799 727021150 /nfs/dbraw/zinc/02/11/50/727021150.db2.gz UCYBZMQFKDPKGU-CQSZACIVSA-N 1 1 351.288 3.362 20 30 FGEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000815652153 727088886 /nfs/dbraw/zinc/08/88/86/727088886.db2.gz RDWYBOLPZLQJCW-KRWDZBQOSA-N 1 1 362.539 3.009 20 30 FGEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000815652153 727088889 /nfs/dbraw/zinc/08/88/89/727088889.db2.gz RDWYBOLPZLQJCW-KRWDZBQOSA-N 1 1 362.539 3.009 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1coc2c1cc(Br)cc2C ZINC000818611806 727316654 /nfs/dbraw/zinc/31/66/54/727316654.db2.gz DKVFDWNUICIRLS-UHFFFAOYSA-N 1 1 363.255 3.189 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000819897523 728950863 /nfs/dbraw/zinc/95/08/63/728950863.db2.gz QTHJXKRJQLYHHP-HNNXBMFYSA-N 1 1 354.483 3.201 20 30 FGEDMO C=CCC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC000825117970 729371423 /nfs/dbraw/zinc/37/14/23/729371423.db2.gz NHTLJTGYSGDUDB-JKSUJKDBSA-N 1 1 354.491 3.264 20 30 FGEDMO C#CCC[N@H+](CCOC)Cc1cc(Br)c(OCC)c(OC)c1 ZINC000827823836 729435586 /nfs/dbraw/zinc/43/55/86/729435586.db2.gz VWJQZGOVDBBQRE-UHFFFAOYSA-N 1 1 370.287 3.328 20 30 FGEDMO Nc1ccc2c([nH+]1)CCCC2N=Nc1ncnc2sc3c(c21)CCC3 ZINC000834923337 729846440 /nfs/dbraw/zinc/84/64/40/729846440.db2.gz GVLYFUBKYQQMLE-UHFFFAOYSA-N 1 1 350.451 3.310 20 30 FGEDMO N#Cc1ccc(SCC(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000837502096 730035655 /nfs/dbraw/zinc/03/56/55/730035655.db2.gz FNDCPMIHDSTLJF-SFHVURJKSA-N 1 1 352.459 3.468 20 30 FGEDMO C#C[C@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000842409623 730496740 /nfs/dbraw/zinc/49/67/40/730496740.db2.gz PIRGMHPGEGWNLA-CABCVRRESA-N 1 1 357.397 3.360 20 30 FGEDMO C#C[C@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000842409623 730496743 /nfs/dbraw/zinc/49/67/43/730496743.db2.gz PIRGMHPGEGWNLA-CABCVRRESA-N 1 1 357.397 3.360 20 30 FGEDMO C#CCCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000844354457 730706368 /nfs/dbraw/zinc/70/63/68/730706368.db2.gz KALVNYDSFVQSKF-BZSNNMDCSA-N 1 1 350.503 3.184 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC000844369992 730708524 /nfs/dbraw/zinc/70/85/24/730708524.db2.gz PEPYSJMKSYXOLH-SFHVURJKSA-N 1 1 357.841 3.206 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)sc2C1 ZINC000844457293 730721707 /nfs/dbraw/zinc/72/17/07/730721707.db2.gz VXSYUDSBJYEILU-HONMWMINSA-N 1 1 365.449 3.270 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCC#N)C1 ZINC000844461550 730722168 /nfs/dbraw/zinc/72/21/68/730722168.db2.gz KLVIWMQCAWDSQO-BRWVUGGUSA-N 1 1 351.491 3.217 20 30 FGEDMO CC#CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462430 730722249 /nfs/dbraw/zinc/72/22/49/730722249.db2.gz XKBNBKCIXXFOTI-KSZLIROESA-N 1 1 350.503 3.327 20 30 FGEDMO C=C[C@H](C)ONC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000845626579 730872327 /nfs/dbraw/zinc/87/23/27/730872327.db2.gz HVZKBKWPIZYJBR-NORZTCDRSA-N 1 1 355.841 3.277 20 30 FGEDMO N#Cc1c(Cl)nsc1N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000845668192 730876714 /nfs/dbraw/zinc/87/67/14/730876714.db2.gz UMMPBWUIXNALLN-HOTGVXAUSA-N 1 1 374.897 3.148 20 30 FGEDMO COc1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000846006274 730917760 /nfs/dbraw/zinc/91/77/60/730917760.db2.gz JXWUJBCUEOBSDC-KRWDZBQOSA-N 1 1 360.841 3.394 20 30 FGEDMO CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000851885784 731514548 /nfs/dbraw/zinc/51/45/48/731514548.db2.gz LTDJJZIBTQTHQE-SFHVURJKSA-N 1 1 364.382 3.232 20 30 FGEDMO N#Cc1ncc(Br)cc1N1CC[NH+](Cc2cccs2)CC1 ZINC000853092661 731664363 /nfs/dbraw/zinc/66/43/63/731664363.db2.gz GMBWJIWUKVMINV-UHFFFAOYSA-N 1 1 363.284 3.099 20 30 FGEDMO Cn1c(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(Br)c2ccccc21 ZINC000853324397 731694850 /nfs/dbraw/zinc/69/48/50/731694850.db2.gz DXQIYNDOOJLVON-BETUJISGSA-N 1 1 374.286 3.135 20 30 FGEDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000854734887 731857762 /nfs/dbraw/zinc/85/77/62/731857762.db2.gz FNUWWZXKXLYHGK-SFHVURJKSA-N 1 1 350.384 3.001 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1 ZINC000859003625 732267635 /nfs/dbraw/zinc/26/76/35/732267635.db2.gz RUHWYLHABVYPHV-UHFFFAOYSA-N 1 1 360.763 3.020 20 30 FGEDMO C=CCOCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000859606967 732359968 /nfs/dbraw/zinc/35/99/68/732359968.db2.gz UAHNFEZWZAJZHA-KGLIPLIRSA-N 1 1 366.424 3.214 20 30 FGEDMO N#CCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000859956974 732423105 /nfs/dbraw/zinc/42/31/05/732423105.db2.gz SBHDKZZQJZNAFF-IAGOWNOFSA-N 1 1 355.463 3.206 20 30 FGEDMO COC(=O)C1C[C@@H](C)[NH+](Cc2cc(Cl)ccc2OCC#N)[C@H](C)C1 ZINC000860187480 732466543 /nfs/dbraw/zinc/46/65/43/732466543.db2.gz FCLBHCSYSWCWEI-CHWSQXEVSA-N 1 1 350.846 3.404 20 30 FGEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cc(F)c(Br)cc1F ZINC000863104179 732915022 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3.063 20 30 FGEDMO C#CC[C@H](CCOC)[NH2+]Cc1csc(N(C(C)=O)c2ccccc2)n1 ZINC000877660615 736701363 /nfs/dbraw/zinc/70/13/63/736701363.db2.gz OGROWLBUDGJSJZ-MRXNPFEDSA-N 1 1 357.479 3.346 20 30 FGEDMO CC[N@@H+](C[C@@H](O)c1cc(Br)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000877991983 736754495 /nfs/dbraw/zinc/75/44/95/736754495.db2.gz UQZLCMRTIBCVMA-SMDDNHRTSA-N 1 1 364.243 3.425 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879239502 736971405 /nfs/dbraw/zinc/97/14/05/736971405.db2.gz CABJPAUDFONSNT-FUHWJXTLSA-N 1 1 355.463 3.146 20 30 FGEDMO C[N@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000886279480 739239024 /nfs/dbraw/zinc/23/90/24/739239024.db2.gz ZRENQLXBWADIAU-WFASDCNBSA-N 1 1 357.281 3.403 20 30 FGEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000886279480 739239029 /nfs/dbraw/zinc/23/90/29/739239029.db2.gz ZRENQLXBWADIAU-WFASDCNBSA-N 1 1 357.281 3.403 20 30 FGEDMO Cc1ccccc1[C@@H](CO)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000886433223 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C[C@H](CCC#N)C[N@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000896987385 742627197 /nfs/dbraw/zinc/62/71/97/742627197.db2.gz OLENDISEDOWBCM-MRXNPFEDSA-N 1 1 351.491 3.028 20 30 FGEDMO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]Cc1nc(C#N)cs1 ZINC000897629185 742697158 /nfs/dbraw/zinc/69/71/58/742697158.db2.gz RXRCDJWNCGWHMX-LBPRGKRZSA-N 1 1 362.886 3.195 20 30 FGEDMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1cc(C#N)ccn1 ZINC000902817977 743777828 /nfs/dbraw/zinc/77/78/28/743777828.db2.gz HKLLFFXZMUXNBX-CZUORRHYSA-N 1 1 354.841 3.453 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O)c1cc(C#N)ccn1 ZINC000903070856 743801645 /nfs/dbraw/zinc/80/16/45/743801645.db2.gz YHQIYAGPBDWAMO-NHYWBVRUSA-N 1 1 358.804 3.202 20 30 FGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C(C)(C)C1 ZINC000940882126 762166641 /nfs/dbraw/zinc/16/66/41/762166641.db2.gz NJDJNYYNRFLDFI-GVDBMIGSSA-N 1 1 354.922 3.018 20 30 FGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C(C)(C)C1 ZINC000940882126 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C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC001015815854 765803731 /nfs/dbraw/zinc/80/37/31/765803731.db2.gz CVKSRNQLNLSDCM-KEYYUXOJSA-N 1 1 368.930 3.463 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC001019407559 765854982 /nfs/dbraw/zinc/85/49/82/765854982.db2.gz JNDAXJXNZYIXFQ-AHIWAGSCSA-N 1 1 369.292 3.275 20 30 FGEDMO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001023603214 766042781 /nfs/dbraw/zinc/04/27/81/766042781.db2.gz RQTREEINWBHUMQ-ARFHVFGLSA-N 1 1 357.336 3.405 20 30 FGEDMO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001023603214 766042782 /nfs/dbraw/zinc/04/27/82/766042782.db2.gz RQTREEINWBHUMQ-ARFHVFGLSA-N 1 1 357.336 3.405 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1Cl ZINC001028147254 766113299 /nfs/dbraw/zinc/11/32/99/766113299.db2.gz SBQKFYXQLCCJMZ-LMMKCTJWSA-N 1 1 362.901 3.320 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 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CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000130710069 495433407 /nfs/dbraw/zinc/43/34/07/495433407.db2.gz IKRMQNXPNIVJBT-ROUUACIJSA-N 1 1 363.889 3.212 20 30 FGEDMO C=CCC[C@@H](O)C[NH+]1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000130797068 495446579 /nfs/dbraw/zinc/44/65/79/495446579.db2.gz JXELUCXMQCEZDM-MRXNPFEDSA-N 1 1 358.507 3.295 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000139207903 495475165 /nfs/dbraw/zinc/47/51/65/495475165.db2.gz NMIRYJDLOKVXMR-UHFFFAOYSA-N 1 1 371.444 3.347 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000139207903 495475169 /nfs/dbraw/zinc/47/51/69/495475169.db2.gz NMIRYJDLOKVXMR-UHFFFAOYSA-N 1 1 371.444 3.347 20 30 FGEDMO C[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[N@@H+](C)C1CC1 ZINC000115360897 495494640 /nfs/dbraw/zinc/49/46/40/495494640.db2.gz LPMJTMNAMMOTBO-INIZCTEOSA-N 1 1 363.461 3.350 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115376193 495497218 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FGEDMO C[N@H+]1CC[C@@H](CNC(=O)NCCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179344865 495551208 /nfs/dbraw/zinc/55/12/08/495551208.db2.gz CEPSCYPMRADORZ-YOEHRIQHSA-N 1 1 366.868 3.465 20 30 FGEDMO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000154330121 495583442 /nfs/dbraw/zinc/58/34/42/495583442.db2.gz VZEMTOGPZBXZKW-QZTJIDSGSA-N 1 1 361.898 3.435 20 30 FGEDMO Cc1oc(NC(=O)CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C#N)c1C ZINC000185476981 495591634 /nfs/dbraw/zinc/59/16/34/495591634.db2.gz HRZKYIIWMFRBTD-CQSZACIVSA-N 1 1 372.494 3.147 20 30 FGEDMO C[C@H](CCNC(=O)Cc1ccc(OCC#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000173593756 495603902 /nfs/dbraw/zinc/60/39/02/495603902.db2.gz BFWZZGKOIAXHJM-GOSISDBHSA-N 1 1 365.477 3.158 20 30 FGEDMO C[C@@H](C#N)CNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000182562479 495617055 /nfs/dbraw/zinc/61/70/55/495617055.db2.gz KNSAHVLUBSLZFP-MAUKXSAKSA-N 1 1 368.506 3.306 20 30 FGEDMO C[C@@H](C#N)CNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000182562479 495617059 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FGEDMO CN(C)c1cccc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000182912741 495753739 /nfs/dbraw/zinc/75/37/39/495753739.db2.gz UQUCCUJRTRFWIZ-NRFANRHFSA-N 1 1 362.477 3.252 20 30 FGEDMO CC[N@@H+](CCc1nccs1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182931655 495761210 /nfs/dbraw/zinc/76/12/10/495761210.db2.gz TUHBBUCELXAQLB-QGZVFWFLSA-N 1 1 354.479 3.075 20 30 FGEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174094982 495818576 /nfs/dbraw/zinc/81/85/76/495818576.db2.gz VKASZLDEQDZNGC-GFCCVEGCSA-N 1 1 354.376 3.383 20 30 FGEDMO CN(C)C(=O)COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180029939 495829547 /nfs/dbraw/zinc/82/95/47/495829547.db2.gz FFOGHXMRNLDSME-UHFFFAOYSA-N 1 1 363.461 3.190 20 30 FGEDMO C=C(C)COCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000151532329 495869214 /nfs/dbraw/zinc/86/92/14/495869214.db2.gz YENMGMXKALIVCW-AZUAARDMSA-N 1 1 359.514 3.274 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cc(Cl)ccc1Cl ZINC000186182411 495887840 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363.461 3.220 20 30 FGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000177163704 495955164 /nfs/dbraw/zinc/95/51/64/495955164.db2.gz KZNLPGMPWZXEKO-GOSISDBHSA-N 1 1 366.427 3.101 20 30 FGEDMO FC(F)(F)c1ccc(C#CCN2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000177163704 495955167 /nfs/dbraw/zinc/95/51/67/495955167.db2.gz KZNLPGMPWZXEKO-GOSISDBHSA-N 1 1 366.427 3.101 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)[C@H](c2ccccc2)CO1 ZINC000174461295 495969538 /nfs/dbraw/zinc/96/95/38/495969538.db2.gz ZZXDWXWMTGKXHK-YOEHRIQHSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H](c2ccccc2)CO1 ZINC000174461295 495969540 /nfs/dbraw/zinc/96/95/40/495969540.db2.gz ZZXDWXWMTGKXHK-YOEHRIQHSA-N 1 1 355.463 3.410 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(C#N)c1 ZINC000151856769 495971652 /nfs/dbraw/zinc/97/16/52/495971652.db2.gz KVNSMMMXGUSTSA-FQEVSTJZSA-N 1 1 363.461 3.391 20 30 FGEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000171703679 495995276 /nfs/dbraw/zinc/99/52/76/495995276.db2.gz AFPVCDFBUIDBSV-LJQANCHMSA-N 1 1 354.498 3.353 20 30 FGEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)[nH]1 ZINC000151944907 495999605 /nfs/dbraw/zinc/99/96/05/495999605.db2.gz JPAIRQRATVPLEU-SFHVURJKSA-N 1 1 374.448 3.091 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180494155 496019900 /nfs/dbraw/zinc/01/99/00/496019900.db2.gz PAXVQSMPIIRDEX-UHFFFAOYSA-N 1 1 350.340 3.495 20 30 FGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160697814 496022215 /nfs/dbraw/zinc/02/22/15/496022215.db2.gz JKUZCVAQOIYZQN-JKSUJKDBSA-N 1 1 357.433 3.103 20 30 FGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160697814 496022222 /nfs/dbraw/zinc/02/22/22/496022222.db2.gz JKUZCVAQOIYZQN-JKSUJKDBSA-N 1 1 357.433 3.103 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cccc(C#N)c1 ZINC000155757935 496058776 /nfs/dbraw/zinc/05/87/76/496058776.db2.gz ONCNGBCUUHGKOP-UHFFFAOYSA-N 1 1 350.466 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ZINC000174983621 496193701 /nfs/dbraw/zinc/19/37/01/496193701.db2.gz GCBMWXKYJFNQKE-XYCCBJPKSA-N 1 1 353.466 3.076 20 30 FGEDMO CCC[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1CCOC ZINC000156265109 496201765 /nfs/dbraw/zinc/20/17/65/496201765.db2.gz INWCRNPMDYASIU-MRXNPFEDSA-N 1 1 364.877 3.176 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(NCc3ccc(OC)c(C#N)c3)cc2)CC1 ZINC000156353472 496222963 /nfs/dbraw/zinc/22/29/63/496222963.db2.gz YXGZGCPMERUYFN-UHFFFAOYSA-N 1 1 364.493 3.316 20 30 FGEDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156375860 496228458 /nfs/dbraw/zinc/22/84/58/496228458.db2.gz MPCXVWYIZBKUPD-GOSISDBHSA-N 1 1 357.498 3.201 20 30 FGEDMO Cc1noc(C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)n1 ZINC000181010658 496239915 /nfs/dbraw/zinc/23/99/15/496239915.db2.gz FZSLPRMBEBIUHX-UHFFFAOYSA-N 1 1 361.243 3.392 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000156740817 496323876 /nfs/dbraw/zinc/32/38/76/496323876.db2.gz ZCNVGBHTVBFUIM-QGZVFWFLSA-N 1 1 374.893 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/nfs/dbraw/zinc/41/60/38/496416038.db2.gz ZHZPSIABQRSYPV-UZLBHIALSA-N 1 1 353.466 3.221 20 30 FGEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1CCCC[C@@H]1O ZINC000181486068 496416042 /nfs/dbraw/zinc/41/60/42/496416042.db2.gz ZHZPSIABQRSYPV-UZLBHIALSA-N 1 1 353.466 3.221 20 30 FGEDMO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(-c2ccccc2)cs1 ZINC000184523350 496422722 /nfs/dbraw/zinc/42/27/22/496422722.db2.gz UCMZUUFNWMWMNX-DJJJIMSYSA-N 1 1 354.479 3.269 20 30 FGEDMO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000175602984 496461181 /nfs/dbraw/zinc/46/11/81/496461181.db2.gz UASXBHOBKNMMNI-UHFFFAOYSA-N 1 1 351.903 3.414 20 30 FGEDMO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000175602984 496461186 /nfs/dbraw/zinc/46/11/86/496461186.db2.gz UASXBHOBKNMMNI-UHFFFAOYSA-N 1 1 351.903 3.414 20 30 FGEDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000153609616 496516473 /nfs/dbraw/zinc/51/64/73/496516473.db2.gz OUJKSWBCKXJNGY-ZDUSSCGKSA-N 1 1 369.421 3.346 20 30 FGEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000153609616 496516480 /nfs/dbraw/zinc/51/64/80/496516480.db2.gz OUJKSWBCKXJNGY-ZDUSSCGKSA-N 1 1 369.421 3.346 20 30 FGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000157669778 496526285 /nfs/dbraw/zinc/52/62/85/496526285.db2.gz SPWWISLJOIJMSY-ZDUSSCGKSA-N 1 1 360.845 3.140 20 30 FGEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000181857621 496574284 /nfs/dbraw/zinc/57/42/84/496574284.db2.gz MKXPWVASKGQDAC-UONOGXRCSA-N 1 1 364.396 3.250 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000187835758 496589170 /nfs/dbraw/zinc/58/91/70/496589170.db2.gz AXDXNEVITVURJS-QGZVFWFLSA-N 1 1 371.525 3.277 20 30 FGEDMO N#CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000580856663 505854358 /nfs/dbraw/zinc/85/43/58/505854358.db2.gz QKHQQMOBUFJAPQ-SFHVURJKSA-N 1 1 373.434 3.003 20 30 FGEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000164936727 496639878 /nfs/dbraw/zinc/63/98/78/496639878.db2.gz PGJKKBPDYKGWSN-WMZOPIPTSA-N 1 1 356.470 3.293 20 30 FGEDMO CC[N@H+]1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000158171375 496642970 /nfs/dbraw/zinc/64/29/70/496642970.db2.gz YKPRBZTWJZJTLO-INIZCTEOSA-N 1 1 360.527 3.047 20 30 FGEDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000154008889 496653130 /nfs/dbraw/zinc/65/31/30/496653130.db2.gz NSLSORTVWXGGOH-SJORKVTESA-N 1 1 361.873 3.430 20 30 FGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000154008889 496653137 /nfs/dbraw/zinc/65/31/37/496653137.db2.gz NSLSORTVWXGGOH-SJORKVTESA-N 1 1 361.873 3.430 20 30 FGEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)C2)C1 ZINC000580884242 505860784 /nfs/dbraw/zinc/86/07/84/505860784.db2.gz NEZSLDGPTQWIIM-FPOVZHCZSA-N 1 1 352.482 3.063 20 30 FGEDMO C[N@H+](Cc1ccccc1)[C@@H](CNCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000185223034 496709258 /nfs/dbraw/zinc/70/92/58/496709258.db2.gz BMJXHHWLSHXVFT-NRFANRHFSA-N 1 1 359.477 3.206 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000185223034 496709262 /nfs/dbraw/zinc/70/92/62/496709262.db2.gz BMJXHHWLSHXVFT-NRFANRHFSA-N 1 1 359.477 3.206 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C2CC2)cc1 ZINC000194958189 496773360 /nfs/dbraw/zinc/77/33/60/496773360.db2.gz LOWYRQVQZGGFRU-UHFFFAOYSA-N 1 1 355.388 3.117 20 30 FGEDMO N#Cc1ccc(C[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C2CC2)cc1 ZINC000194958189 496773365 /nfs/dbraw/zinc/77/33/65/496773365.db2.gz LOWYRQVQZGGFRU-UHFFFAOYSA-N 1 1 355.388 3.117 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C2CC2)cc1 ZINC000194958636 496773493 /nfs/dbraw/zinc/77/34/93/496773493.db2.gz PIGSVZLJTSJJCL-MRXNPFEDSA-N 1 1 365.399 3.324 20 30 FGEDMO N#Cc1ccc(C[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C2CC2)cc1 ZINC000194958636 496773494 /nfs/dbraw/zinc/77/34/94/496773494.db2.gz PIGSVZLJTSJJCL-MRXNPFEDSA-N 1 1 365.399 3.324 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000188404102 496778116 /nfs/dbraw/zinc/77/81/16/496778116.db2.gz DBXQIVFBPPSNJN-UWJYYQICSA-N 1 1 359.473 3.369 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273395661 496793336 /nfs/dbraw/zinc/79/33/36/496793336.db2.gz FXHFJUIEPJLJQL-HBFSDRIKSA-N 1 1 361.461 3.032 20 30 FGEDMO CNC(=O)[C@@H]1CCCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191556446 496810280 /nfs/dbraw/zinc/81/02/80/496810280.db2.gz ONRUKQUTHRZSKH-NRFANRHFSA-N 1 1 361.489 3.487 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247459905 496863343 /nfs/dbraw/zinc/86/33/43/496863343.db2.gz QSAMHTIPGALPHB-ZACQAIPSSA-N 1 1 372.538 3.188 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000572025276 505872474 /nfs/dbraw/zinc/87/24/74/505872474.db2.gz XRIOMZLNAIEECR-BEFAXECRSA-N 1 1 374.529 3.462 20 30 FGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CCCCOc3cccc(C#N)c3)CC[C@H]21 ZINC000247972785 496936109 /nfs/dbraw/zinc/93/61/09/496936109.db2.gz HNAMIZAANTXFAY-UYAOXDASSA-N 1 1 355.482 3.050 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)c2cccc(SCC#N)c2)[C@H]1c1ccccc1 ZINC000247987452 496938123 /nfs/dbraw/zinc/93/81/23/496938123.db2.gz ILQTWLVMFHKRDH-RBUKOAKNSA-N 1 1 351.475 3.477 20 30 FGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248416076 497003285 /nfs/dbraw/zinc/00/32/85/497003285.db2.gz OWSWXIKFHQKBPP-GJYPPUQNSA-N 1 1 368.481 3.458 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572054729 505878752 /nfs/dbraw/zinc/87/87/52/505878752.db2.gz OLLPIRNGVDOAKA-UHOSZYNNSA-N 1 1 368.880 3.446 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572054729 505878755 /nfs/dbraw/zinc/87/87/55/505878755.db2.gz OLLPIRNGVDOAKA-UHOSZYNNSA-N 1 1 368.880 3.446 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248416826 497003749 /nfs/dbraw/zinc/00/37/49/497003749.db2.gz JAXUTESFEFLHQV-LSDHHAIUSA-N 1 1 372.435 3.352 20 30 FGEDMO CC[C@@H]1CN(C(=O)c2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000189237363 497055626 /nfs/dbraw/zinc/05/56/26/497055626.db2.gz NXRXUOOCHFRTAG-QGZVFWFLSA-N 1 1 351.425 3.434 20 30 FGEDMO CC[C@@H]1CN(C(=O)c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000189237363 497055630 /nfs/dbraw/zinc/05/56/30/497055630.db2.gz NXRXUOOCHFRTAG-QGZVFWFLSA-N 1 1 351.425 3.434 20 30 FGEDMO C[N@@H+](CC1(c2ccccc2)CC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000189323633 497081983 /nfs/dbraw/zinc/08/19/83/497081983.db2.gz UGHWBGVYEJQHET-QGZVFWFLSA-N 1 1 351.475 3.389 20 30 FGEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000274411796 497092035 /nfs/dbraw/zinc/09/20/35/497092035.db2.gz DPBASHBZYXPSLF-UHFFFAOYSA-N 1 1 369.494 3.163 20 30 FGEDMO C=CCC[C@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)c1ccccc1 ZINC000189372004 497099126 /nfs/dbraw/zinc/09/91/26/497099126.db2.gz UQYZSUHKNURIKL-NQIIRXRSSA-N 1 1 356.510 3.448 20 30 FGEDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000248850742 497117294 /nfs/dbraw/zinc/11/72/94/497117294.db2.gz PYMUVOOUQUKESX-QKLQHJQFSA-N 1 1 372.465 3.151 20 30 FGEDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000248850742 497117298 /nfs/dbraw/zinc/11/72/98/497117298.db2.gz PYMUVOOUQUKESX-QKLQHJQFSA-N 1 1 372.465 3.151 20 30 FGEDMO C#CCC(CC#C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000278492491 497132742 /nfs/dbraw/zinc/13/27/42/497132742.db2.gz YZHPFBUJNBISOM-VQIMIIECSA-N 1 1 360.860 3.251 20 30 FGEDMO C=CCC[C@H](C(=O)NCC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000189496625 497138533 /nfs/dbraw/zinc/13/85/33/497138533.db2.gz UIAZMUZIHXTSLS-NRFANRHFSA-N 1 1 357.542 3.126 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000248982288 497143868 /nfs/dbraw/zinc/14/38/68/497143868.db2.gz FULGHRDYBUBZSH-CABCVRRESA-N 1 1 353.285 3.027 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000248982288 497143873 /nfs/dbraw/zinc/14/38/73/497143873.db2.gz FULGHRDYBUBZSH-CABCVRRESA-N 1 1 353.285 3.027 20 30 FGEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000265640752 497153716 /nfs/dbraw/zinc/15/37/16/497153716.db2.gz ISFZZWHGDLJVML-IAGOWNOFSA-N 1 1 355.482 3.216 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000249091895 497164200 /nfs/dbraw/zinc/16/42/00/497164200.db2.gz DIBNFNVDPBHQGM-KVSKMBFKSA-N 1 1 350.528 3.476 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1 ZINC000249552128 497221240 /nfs/dbraw/zinc/22/12/40/497221240.db2.gz IIZGRRDNLXNOQD-IIBYNOLFSA-N 1 1 357.498 3.033 20 30 FGEDMO C=CCC[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccco1 ZINC000278836954 497237920 /nfs/dbraw/zinc/23/79/20/497237920.db2.gz CXWFHLLJNNWHSZ-IBGZPJMESA-N 1 1 355.482 3.368 20 30 FGEDMO CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)C[C@H](O)C(F)(F)F ZINC000275113969 497239380 /nfs/dbraw/zinc/23/93/80/497239380.db2.gz DTMAUAGYMZUXBS-INIZCTEOSA-N 1 1 360.376 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357.502 3.304 20 30 FGEDMO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330263717 498085194 /nfs/dbraw/zinc/08/51/94/498085194.db2.gz WXRSMZYUSGQAIE-WBVHZDCISA-N 1 1 357.502 3.304 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330262360 498085470 /nfs/dbraw/zinc/08/54/70/498085470.db2.gz UWQWGXICSRMMCF-ZBFHGGJFSA-N 1 1 360.454 3.183 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330262360 498085474 /nfs/dbraw/zinc/08/54/74/498085474.db2.gz UWQWGXICSRMMCF-ZBFHGGJFSA-N 1 1 360.454 3.183 20 30 FGEDMO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330284610 498093695 /nfs/dbraw/zinc/09/36/95/498093695.db2.gz XTCQLRUMPWOMGO-KPFFTGBYSA-N 1 1 374.529 3.478 20 30 FGEDMO O=C(NCc1nc(-c2ccncc2)cs1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000330362875 498120428 /nfs/dbraw/zinc/12/04/28/498120428.db2.gz ZZPZYLIBRLKQQV-QGZVFWFLSA-N 1 1 372.494 3.305 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000330461328 498135746 /nfs/dbraw/zinc/13/57/46/498135746.db2.gz RYZPSSJRKLNSGR-BBRMVZONSA-N 1 1 364.287 3.394 20 30 FGEDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330463181 498137338 /nfs/dbraw/zinc/13/73/38/498137338.db2.gz CERYVZBOLRYYJN-MWLCHTKSSA-N 1 1 370.247 3.453 20 30 FGEDMO COc1ccc(C[NH2+]Cc2ncccc2N(C)C)cc1OCCCC#N ZINC000289413827 498138375 /nfs/dbraw/zinc/13/83/75/498138375.db2.gz AMRMGXUZWYSLPE-UHFFFAOYSA-N 1 1 354.454 3.129 20 30 FGEDMO Cc1cc(Cl)c(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1Cl ZINC000330563877 498151996 /nfs/dbraw/zinc/15/19/96/498151996.db2.gz JZCIJGISMUXSJT-NEPJUHHUSA-N 1 1 360.285 3.234 20 30 FGEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(Cl)cc(F)c2N)C[C@H](C)O1 ZINC000330653197 498168143 /nfs/dbraw/zinc/16/81/43/498168143.db2.gz LTTVEECUSQSANV-PHIMTYICSA-N 1 1 357.857 3.254 20 30 FGEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(Cl)cc(F)c2N)C[C@H](C)O1 ZINC000330653197 498168151 /nfs/dbraw/zinc/16/81/51/498168151.db2.gz LTTVEECUSQSANV-PHIMTYICSA-N 1 1 357.857 3.254 20 30 FGEDMO CSc1cccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1C ZINC000330703174 498177276 /nfs/dbraw/zinc/17/72/76/498177276.db2.gz KRNOUQHEPMUATQ-INIZCTEOSA-N 1 1 351.516 3.400 20 30 FGEDMO C=CCC[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000285715913 498179872 /nfs/dbraw/zinc/17/98/72/498179872.db2.gz DAXHLQYVMYZWDU-AZUAARDMSA-N 1 1 371.525 3.047 20 30 FGEDMO CSc1cccc(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000330715644 498180067 /nfs/dbraw/zinc/18/00/67/498180067.db2.gz YICKPNKJUUYSRI-HNNXBMFYSA-N 1 1 351.516 3.400 20 30 FGEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1SCCC(N)=O ZINC000330890797 498213033 /nfs/dbraw/zinc/21/30/33/498213033.db2.gz OYKARGDWTCAGNJ-QWHCGFSZSA-N 1 1 350.488 3.274 20 30 FGEDMO CCOc1c(F)cccc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330915682 498217184 /nfs/dbraw/zinc/21/71/84/498217184.db2.gz KAPUGSBUJGCYNG-OKILXGFUSA-N 1 1 352.450 3.417 20 30 FGEDMO CCOc1c(F)cccc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000330915682 498217186 /nfs/dbraw/zinc/21/71/86/498217186.db2.gz KAPUGSBUJGCYNG-OKILXGFUSA-N 1 1 352.450 3.417 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292999101 498229474 /nfs/dbraw/zinc/22/94/74/498229474.db2.gz SOSRPRDXVSWINP-DNVCBOLYSA-N 1 1 358.511 3.498 20 30 FGEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000359910198 498230832 /nfs/dbraw/zinc/23/08/32/498230832.db2.gz ZTSZOAVQDPFEIG-GOSISDBHSA-N 1 1 358.449 3.128 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cc(Cl)c(Cl)cn2)C1 ZINC000330996981 498233464 /nfs/dbraw/zinc/23/34/64/498233464.db2.gz XTMYEISLHIYNHX-NSHDSACASA-N 1 1 361.273 3.071 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000365021032 498260141 /nfs/dbraw/zinc/26/01/41/498260141.db2.gz TYHAPBWZEIGATN-DLBZAZTESA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000365021032 498260148 /nfs/dbraw/zinc/26/01/48/498260148.db2.gz TYHAPBWZEIGATN-DLBZAZTESA-N 1 1 360.889 3.420 20 30 FGEDMO CC(=O)N[C@H](C)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000331156295 498264462 /nfs/dbraw/zinc/26/44/62/498264462.db2.gz JTMUKEOLUXTKDD-GFCCVEGCSA-N 1 1 364.287 3.057 20 30 FGEDMO CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000331196499 498272604 /nfs/dbraw/zinc/27/26/04/498272604.db2.gz UPYIAESHSVKKEZ-KBPBESRZSA-N 1 1 367.921 3.397 20 30 FGEDMO C[C@@H]1C[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000301811896 498275176 /nfs/dbraw/zinc/27/51/76/498275176.db2.gz YLIAXBDNKQDEHQ-GDBMZVCRSA-N 1 1 351.410 3.184 20 30 FGEDMO Cc1cccc(NC2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)[nH+]1 ZINC000360521211 498281539 /nfs/dbraw/zinc/28/15/39/498281539.db2.gz TVYAOXSWPDUGRL-UHFFFAOYSA-N 1 1 374.448 3.388 20 30 FGEDMO CC(C)[C@]1(CO)CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000293143274 498283681 /nfs/dbraw/zinc/28/36/81/498283681.db2.gz TUHYTKIRUIRSEQ-JOCHJYFZSA-N 1 1 367.493 3.468 20 30 FGEDMO CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000293143274 498283686 /nfs/dbraw/zinc/28/36/86/498283686.db2.gz TUHYTKIRUIRSEQ-JOCHJYFZSA-N 1 1 367.493 3.468 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000331273811 498290768 /nfs/dbraw/zinc/29/07/68/498290768.db2.gz WEQOPFRPPYTQQJ-SFHVURJKSA-N 1 1 360.502 3.225 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3nc4ccccn4c3C#N)[C@H](C)C2)s1 ZINC000360679806 498297404 /nfs/dbraw/zinc/29/74/04/498297404.db2.gz IKMSFPCBDSWXKO-CJNGLKHVSA-N 1 1 366.494 3.293 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000281883206 498304006 /nfs/dbraw/zinc/30/40/06/498304006.db2.gz ALUXIZKQFYLTON-GOSISDBHSA-N 1 1 361.436 3.418 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000281883206 498304012 /nfs/dbraw/zinc/30/40/12/498304012.db2.gz ALUXIZKQFYLTON-GOSISDBHSA-N 1 1 361.436 3.418 20 30 FGEDMO Cc1ccc([C@H](c2ccccn2)[N@H+](C)CCC(=O)N(C)CCC#N)cc1 ZINC000360810569 498313698 /nfs/dbraw/zinc/31/36/98/498313698.db2.gz MGUPWNDUFKHPFR-OAQYLSRUSA-N 1 1 350.466 3.173 20 30 FGEDMO CC[N@H+]1CCCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289888828 498339209 /nfs/dbraw/zinc/33/92/09/498339209.db2.gz RQAZQIIHONJWON-UHFFFAOYSA-N 1 1 365.437 3.305 20 30 FGEDMO C=CCOc1ccc(/C=C/C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000286293202 498354047 /nfs/dbraw/zinc/35/40/47/498354047.db2.gz RZEWQEJMRQVBGI-NETUMWRPSA-N 1 1 370.493 3.357 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331533241 498364045 /nfs/dbraw/zinc/36/40/45/498364045.db2.gz FKLRSOVVNNGMPK-LULLPPNCSA-N 1 1 358.482 3.207 20 30 FGEDMO N#Cc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000282050888 498370556 /nfs/dbraw/zinc/37/05/56/498370556.db2.gz XWWRNRCDEVRKBG-CQSZACIVSA-N 1 1 351.410 3.383 20 30 FGEDMO COc1ccc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)cc1OCCCC#N ZINC000293519661 498401983 /nfs/dbraw/zinc/40/19/83/498401983.db2.gz AXQVLAFWFXCOQO-HXUWFJFHSA-N 1 1 368.477 3.413 20 30 FGEDMO CC[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)C1 ZINC000286451672 498402222 /nfs/dbraw/zinc/40/22/22/498402222.db2.gz JVUZIIARCAMYHU-HNNXBMFYSA-N 1 1 374.554 3.243 20 30 FGEDMO Cc1nc(NCC[NH+]2CCN(c3ccccc3)CC2)c(Cl)cc1C#N ZINC000578827302 506029443 /nfs/dbraw/zinc/02/94/43/506029443.db2.gz ZIBCYDCRRPGODJ-UHFFFAOYSA-N 1 1 355.873 3.149 20 30 FGEDMO Cc1nc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000572688470 506029507 /nfs/dbraw/zinc/02/95/07/506029507.db2.gz NWIMRMVXEYAGJB-LJQANCHMSA-N 1 1 362.477 3.294 20 30 FGEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000331677703 498418915 /nfs/dbraw/zinc/41/89/15/498418915.db2.gz QCFDVVNANKYJSY-IBGZPJMESA-N 1 1 355.482 3.347 20 30 FGEDMO C=CCn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000290114290 498433227 /nfs/dbraw/zinc/43/32/27/498433227.db2.gz FSXKHRAYJHQDKF-UHFFFAOYSA-N 1 1 374.492 3.238 20 30 FGEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000302226463 498451459 /nfs/dbraw/zinc/45/14/59/498451459.db2.gz WDIQKCRFTQRSMT-AWEZNQCLSA-N 1 1 354.385 3.489 20 30 FGEDMO C=CCOc1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)cc1OC ZINC000282303434 498458336 /nfs/dbraw/zinc/45/83/36/498458336.db2.gz JXIPNSUICRBKEZ-NRFANRHFSA-N 1 1 355.434 3.020 20 30 FGEDMO Cc1ncsc1C(=O)N1CCC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000365427369 498462171 /nfs/dbraw/zinc/46/21/71/498462171.db2.gz JKFDECUJVOJHMF-HNNXBMFYSA-N 1 1 354.479 3.232 20 30 FGEDMO Cc1ncsc1C(=O)N1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000365427369 498462175 /nfs/dbraw/zinc/46/21/75/498462175.db2.gz JKFDECUJVOJHMF-HNNXBMFYSA-N 1 1 354.479 3.232 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccc(CC#N)cc3)[C@@H](C)C2)s1 ZINC000362167441 498471668 /nfs/dbraw/zinc/47/16/68/498471668.db2.gz VJAJLKJYGDMTRP-LIRRHRJNSA-N 1 1 368.506 3.158 20 30 FGEDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1O ZINC000362241422 498480017 /nfs/dbraw/zinc/48/00/17/498480017.db2.gz ZOJIKHNGLCXLLY-XOBRGWDASA-N 1 1 367.836 3.200 20 30 FGEDMO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1O ZINC000362241422 498480020 /nfs/dbraw/zinc/48/00/20/498480020.db2.gz ZOJIKHNGLCXLLY-XOBRGWDASA-N 1 1 367.836 3.200 20 30 FGEDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1O ZINC000362241420 498480678 /nfs/dbraw/zinc/48/06/78/498480678.db2.gz ZOJIKHNGLCXLLY-VBKZILBWSA-N 1 1 367.836 3.200 20 30 FGEDMO Cc1cc(Cl)cc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c1O ZINC000362241420 498480683 /nfs/dbraw/zinc/48/06/83/498480683.db2.gz ZOJIKHNGLCXLLY-VBKZILBWSA-N 1 1 367.836 3.200 20 30 FGEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)CC2 ZINC000578875364 506042321 /nfs/dbraw/zinc/04/23/21/506042321.db2.gz PPYXNQYRNWBGSD-NSHDSACASA-N 1 1 364.327 3.163 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3[C@H](C)COC[C@H]3C)sc2C1 ZINC000331889343 498489383 /nfs/dbraw/zinc/48/93/83/498489383.db2.gz GJGQBSCNMWXTJN-MGPQQGTHSA-N 1 1 361.511 3.182 20 30 FGEDMO CC[C@]1(C)COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331904499 498495858 /nfs/dbraw/zinc/49/58/58/498495858.db2.gz IBHARHAMHDYQTC-LJQANCHMSA-N 1 1 361.511 3.328 20 30 FGEDMO CC[C@H](CC#N)[NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000578879030 506043705 /nfs/dbraw/zinc/04/37/05/506043705.db2.gz KOAXNNRQVODYDI-OAHLLOKOSA-N 1 1 353.388 3.478 20 30 FGEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000282458063 498519773 /nfs/dbraw/zinc/51/97/73/498519773.db2.gz AQVZGIQGWLUAOP-SFHVURJKSA-N 1 1 364.497 3.171 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc1 ZINC000362620769 498525985 /nfs/dbraw/zinc/52/59/85/498525985.db2.gz HUEOBZFSCLNYSH-HXUWFJFHSA-N 1 1 354.498 3.013 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000331995633 498526227 /nfs/dbraw/zinc/52/62/27/498526227.db2.gz MDJIFHKNQNGWHS-UHFFFAOYSA-N 1 1 362.437 3.276 20 30 FGEDMO N#CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)cc1 ZINC000363008177 498601545 /nfs/dbraw/zinc/60/15/45/498601545.db2.gz VIMQXCNSYMDJBQ-SFHVURJKSA-N 1 1 355.482 3.045 20 30 FGEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)cc1 ZINC000294276540 498642053 /nfs/dbraw/zinc/64/20/53/498642053.db2.gz DMXYSOHFDQSUGK-JOCHJYFZSA-N 1 1 367.493 3.204 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)cc1 ZINC000294276540 498642062 /nfs/dbraw/zinc/64/20/62/498642062.db2.gz DMXYSOHFDQSUGK-JOCHJYFZSA-N 1 1 367.493 3.204 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c(Br)c1 ZINC000365831629 498660033 /nfs/dbraw/zinc/66/00/33/498660033.db2.gz QKIXVHAUPKKZQV-IBGZPJMESA-N 1 1 371.278 3.457 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)CC1 ZINC000363320252 498758936 /nfs/dbraw/zinc/75/89/36/498758936.db2.gz ZQUNXQIQYQKXLT-CCZBSFLLSA-N 1 1 368.443 3.303 20 30 FGEDMO C[C@H](c1ccc(NC(=O)[C@@]2(C#N)CC23CCCC3)cc1)[NH+]1CCOCC1 ZINC000294643729 498759331 /nfs/dbraw/zinc/75/93/31/498759331.db2.gz PDJMRJWDCHLILY-IERDGZPVSA-N 1 1 353.466 3.492 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298555048 498812841 /nfs/dbraw/zinc/81/28/41/498812841.db2.gz YZVWSBCBGDZYAS-IHPCNDPISA-N 1 1 354.498 3.232 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(CC#N)cc2)C1 ZINC000579116176 506097855 /nfs/dbraw/zinc/09/78/55/506097855.db2.gz JFCOFTJJGCQGKZ-UWJYYQICSA-N 1 1 362.477 3.387 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000366353980 498887833 /nfs/dbraw/zinc/88/78/33/498887833.db2.gz KSANTVNVAKPIFH-QGZVFWFLSA-N 1 1 364.380 3.401 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C2)nc1 ZINC000366353980 498887842 /nfs/dbraw/zinc/88/78/42/498887842.db2.gz KSANTVNVAKPIFH-QGZVFWFLSA-N 1 1 364.380 3.401 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1CCC(C#N)CC1 ZINC000333112193 498902790 /nfs/dbraw/zinc/90/27/90/498902790.db2.gz XTMMRJQWQCULSZ-KMEYYKJISA-N 1 1 354.498 3.136 20 30 FGEDMO Cn1cc([C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CC23CCOCC3)cn1 ZINC000295176450 498933361 /nfs/dbraw/zinc/93/33/61/498933361.db2.gz QZZURSNGLCHFPS-HXUWFJFHSA-N 1 1 369.896 3.321 20 30 FGEDMO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000328787156 498939429 /nfs/dbraw/zinc/93/94/29/498939429.db2.gz WYNUZDQLHXCODE-IBGZPJMESA-N 1 1 364.497 3.147 20 30 FGEDMO COc1cccc(-c2nc(C)c(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)[nH]2)c1 ZINC000328794258 498940258 /nfs/dbraw/zinc/94/02/58/498940258.db2.gz SJFBSPFIFVAMOO-SJORKVTESA-N 1 1 354.454 3.325 20 30 FGEDMO CC(=O)N1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)c2ccccc21 ZINC000328800559 498943583 /nfs/dbraw/zinc/94/35/83/498943583.db2.gz ILHFXHPDILBWRW-AZUAARDMSA-N 1 1 371.481 3.084 20 30 FGEDMO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328822344 498949821 /nfs/dbraw/zinc/94/98/21/498949821.db2.gz PBVFRUCDDGKCPJ-VGOVLVCLSA-N 1 1 370.852 3.317 20 30 FGEDMO COc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000328882626 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499673849 /nfs/dbraw/zinc/67/38/49/499673849.db2.gz JVPHOUZFUFTYBV-UHFFFAOYSA-N 1 1 353.384 3.328 20 30 FGEDMO CC(C)(CCC#N)CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377350607 499682199 /nfs/dbraw/zinc/68/21/99/499682199.db2.gz OFGOAZFNTSZUKF-PMACEKPBSA-N 1 1 368.525 3.480 20 30 FGEDMO CC(C)(C)C1CCC(C#N)(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000570387617 506155984 /nfs/dbraw/zinc/15/59/84/506155984.db2.gz MFZWIRPSTNQQNP-UHFFFAOYSA-N 1 1 358.486 3.499 20 30 FGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000411192278 499708964 /nfs/dbraw/zinc/70/89/64/499708964.db2.gz KZJPOJIPYQJEPQ-QGZVFWFLSA-N 1 1 363.461 3.260 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000411192278 499708966 /nfs/dbraw/zinc/70/89/66/499708966.db2.gz KZJPOJIPYQJEPQ-QGZVFWFLSA-N 1 1 363.461 3.260 20 30 FGEDMO N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000411201674 499710455 /nfs/dbraw/zinc/71/04/55/499710455.db2.gz SCDCPHHRTAXFTF-FCHUYYIVSA-N 1 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3.391 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000417046372 499957030 /nfs/dbraw/zinc/95/70/30/499957030.db2.gz SOZNUYTYLFLHAI-QGZVFWFLSA-N 1 1 373.497 3.107 20 30 FGEDMO C=CCNC(=O)c1ccccc1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421188358 499986858 /nfs/dbraw/zinc/98/68/58/499986858.db2.gz JXXSMXHQVRRZRV-UHFFFAOYSA-N 1 1 365.477 3.047 20 30 FGEDMO N#Cc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1F ZINC000429033396 499989740 /nfs/dbraw/zinc/98/97/40/499989740.db2.gz DVZUPULDAJYFLR-HNNXBMFYSA-N 1 1 367.193 3.422 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC000429298952 500046642 /nfs/dbraw/zinc/04/66/42/500046642.db2.gz XGJCMWGJRDPGPY-UHFFFAOYSA-N 1 1 362.905 3.003 20 30 FGEDMO N#Cc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000573328818 506172950 /nfs/dbraw/zinc/17/29/50/506172950.db2.gz ZVKGMIYUDXGZFA-PZJWPPBQSA-N 1 1 362.433 3.173 20 30 FGEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000413832578 500070320 /nfs/dbraw/zinc/07/03/20/500070320.db2.gz JDTKSEFYUCYKCR-FQEVSTJZSA-N 1 1 364.493 3.409 20 30 FGEDMO COC(=O)[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1c1ccc(F)cc1F ZINC000425510109 500128727 /nfs/dbraw/zinc/12/87/27/500128727.db2.gz LXNPAZIWBDAFIA-RBUKOAKNSA-N 1 1 355.384 3.205 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1c1ccc(F)cc1F ZINC000425510109 500128730 /nfs/dbraw/zinc/12/87/30/500128730.db2.gz LXNPAZIWBDAFIA-RBUKOAKNSA-N 1 1 355.384 3.205 20 30 FGEDMO COc1cccc(COC[C@H](O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425534889 500135927 /nfs/dbraw/zinc/13/59/27/500135927.db2.gz MLRSVSRPRDDQEK-OXJNMPFZSA-N 1 1 354.450 3.137 20 30 FGEDMO COC(=O)c1cnc([C@H](C)[NH2+]CCSCc2ccccc2C#N)s1 ZINC000414069906 500144945 /nfs/dbraw/zinc/14/49/45/500144945.db2.gz KSJTYMAKHYGKJK-LBPRGKRZSA-N 1 1 361.492 3.385 20 30 FGEDMO COc1ccc(C[C@@H](C)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1F ZINC000430177034 500204717 /nfs/dbraw/zinc/20/47/17/500204717.db2.gz LIAKQEVIBUBOHR-QAPCUYQASA-N 1 1 369.440 3.433 20 30 FGEDMO N#Cc1cccc(OCC[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430343351 500228904 /nfs/dbraw/zinc/22/89/04/500228904.db2.gz JACCMMBISQRNNH-UHFFFAOYSA-N 1 1 358.445 3.472 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000426074795 500233218 /nfs/dbraw/zinc/23/32/18/500233218.db2.gz FTGYCOVDKFKEOH-HKBOAZHASA-N 1 1 371.525 3.416 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000426074795 500233221 /nfs/dbraw/zinc/23/32/21/500233221.db2.gz FTGYCOVDKFKEOH-HKBOAZHASA-N 1 1 371.525 3.416 20 30 FGEDMO C=CCC(C)(C)CNC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000418209271 500249657 /nfs/dbraw/zinc/24/96/57/500249657.db2.gz FCNUGUZQKJKLBK-UHFFFAOYSA-N 1 1 373.545 3.368 20 30 FGEDMO CC[NH+](CC)CCO[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426436200 500272567 /nfs/dbraw/zinc/27/25/67/500272567.db2.gz HKJYIOLJUVAULT-IBGZPJMESA-N 1 1 368.443 3.490 20 30 FGEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000573404627 506188728 /nfs/dbraw/zinc/18/87/28/506188728.db2.gz LPGAYISBFXVMOG-INIZCTEOSA-N 1 1 374.504 3.150 20 30 FGEDMO C=CC[C@H]1[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCCC1(C)C ZINC000419310367 500351583 /nfs/dbraw/zinc/35/15/83/500351583.db2.gz RAQBITHOMROIRR-YLJYHZDGSA-N 1 1 372.509 3.378 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1COc1cccnc1C ZINC000419387679 500360273 /nfs/dbraw/zinc/36/02/73/500360273.db2.gz CPOGSMWYZPRBFG-SFHVURJKSA-N 1 1 367.449 3.193 20 30 FGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCC2(C#N)CCC2)CC1 ZINC000419628927 500386054 /nfs/dbraw/zinc/38/60/54/500386054.db2.gz QQRFYOCHHIFZLS-UHFFFAOYSA-N 1 1 354.498 3.234 20 30 FGEDMO C=CCCCS(=O)(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000427787108 500432807 /nfs/dbraw/zinc/43/28/07/500432807.db2.gz FYAHBUQHEGXHHI-UHFFFAOYSA-N 1 1 354.541 3.252 20 30 FGEDMO CC(C)(NC(=O)c1cccc(Cl)c1)c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000424332272 500487759 /nfs/dbraw/zinc/48/77/59/500487759.db2.gz BWTKCOHEMULGEZ-ZDUSSCGKSA-N 1 1 361.833 3.082 20 30 FGEDMO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428294777 500492606 /nfs/dbraw/zinc/49/26/06/500492606.db2.gz HQCHRVQUANZAQB-OAQYLSRUSA-N 1 1 353.441 3.169 20 30 FGEDMO C[C@H](CCNC(=O)NCc1ccc(C#N)s1)[N@@H+](C)Cc1ccccc1 ZINC000420801023 500504581 /nfs/dbraw/zinc/50/45/81/500504581.db2.gz QLAYXSGVLLHUQR-OAHLLOKOSA-N 1 1 356.495 3.330 20 30 FGEDMO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000432476850 500520632 /nfs/dbraw/zinc/52/06/32/500520632.db2.gz JHGTZOLQGHNZAU-KRWDZBQOSA-N 1 1 371.462 3.053 20 30 FGEDMO C=CCCn1cc(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nn1 ZINC000424589626 500523129 /nfs/dbraw/zinc/52/31/29/500523129.db2.gz KDSAOLPPQLNVPN-QGZVFWFLSA-N 1 1 367.497 3.159 20 30 FGEDMO N#Cc1ccc(Cl)c(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1 ZINC000428546578 500524670 /nfs/dbraw/zinc/52/46/70/500524670.db2.gz LWUZUGVYDIDEBS-INIZCTEOSA-N 1 1 355.825 3.031 20 30 FGEDMO N#CCSc1cccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1 ZINC000428553800 500526587 /nfs/dbraw/zinc/52/65/87/500526587.db2.gz YBXDQODROFVIAK-GOSISDBHSA-N 1 1 367.474 3.121 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](CC(F)(F)F)C3)C2=O)cc1 ZINC000420945611 500537924 /nfs/dbraw/zinc/53/79/24/500537924.db2.gz LBEKSRVYCYPDCQ-ZBFHGGJFSA-N 1 1 351.372 3.328 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](CC(F)(F)F)C3)C2=O)cc1 ZINC000420945611 500537925 /nfs/dbraw/zinc/53/79/25/500537925.db2.gz LBEKSRVYCYPDCQ-ZBFHGGJFSA-N 1 1 351.372 3.328 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421025499 500558327 /nfs/dbraw/zinc/55/83/27/500558327.db2.gz YVLFNLKYKFAQFI-IRXDYDNUSA-N 1 1 350.528 3.136 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000432895026 500587459 /nfs/dbraw/zinc/58/74/59/500587459.db2.gz ZFXJFFGMICFKQL-IYBDPMFKSA-N 1 1 356.514 3.111 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000576676761 506208992 /nfs/dbraw/zinc/20/89/92/506208992.db2.gz PLYYDJHNPXEWRR-DBVUQKKJSA-N 1 1 357.498 3.061 20 30 FGEDMO CCOc1ccc2c(c1)CC[N@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000433450609 500696557 /nfs/dbraw/zinc/69/65/57/500696557.db2.gz OBKAWHYFXVJYCJ-UHFFFAOYSA-N 1 1 355.463 3.405 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000437930533 500718184 /nfs/dbraw/zinc/71/81/84/500718184.db2.gz JHCUBWAXOZGCSX-MOPGFXCFSA-N 1 1 359.514 3.177 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000437999543 500726709 /nfs/dbraw/zinc/72/67/09/500726709.db2.gz OQCOEQFUZHONBU-JYRKZWEQSA-N 1 1 371.525 3.272 20 30 FGEDMO CCOc1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000433955265 500771664 /nfs/dbraw/zinc/77/16/64/500771664.db2.gz MCWUXEQMXDSSNP-QGZVFWFLSA-N 1 1 355.463 3.256 20 30 FGEDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1 ZINC000433955265 500771667 /nfs/dbraw/zinc/77/16/67/500771667.db2.gz MCWUXEQMXDSSNP-QGZVFWFLSA-N 1 1 355.463 3.256 20 30 FGEDMO CC(C)[C@@H]1CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000438500530 500793792 /nfs/dbraw/zinc/79/37/92/500793792.db2.gz QTZDPSQJAGDIHG-MRXNPFEDSA-N 1 1 352.400 3.151 20 30 FGEDMO C=CC[N@H+](CCN(C)c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000444258534 500825154 /nfs/dbraw/zinc/82/51/54/500825154.db2.gz TYXANOBXTVHOMZ-SFHVURJKSA-N 1 1 362.481 3.348 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579025 506220978 /nfs/dbraw/zinc/22/09/78/506220978.db2.gz HCWYOUOJLSJCKL-DGSCNEQVSA-N 1 1 357.445 3.009 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579025 506220986 /nfs/dbraw/zinc/22/09/86/506220986.db2.gz HCWYOUOJLSJCKL-DGSCNEQVSA-N 1 1 357.445 3.009 20 30 FGEDMO Cc1cc(Br)ccc1C[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000444707451 500884473 /nfs/dbraw/zinc/88/44/73/500884473.db2.gz PYZSXDLASFICCM-QGZVFWFLSA-N 1 1 366.303 3.244 20 30 FGEDMO Cc1cc(Br)ccc1C[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000444707451 500884475 /nfs/dbraw/zinc/88/44/75/500884475.db2.gz PYZSXDLASFICCM-QGZVFWFLSA-N 1 1 366.303 3.244 20 30 FGEDMO C[N@@H+](CCCOCc1ccccc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439470913 500901166 /nfs/dbraw/zinc/90/11/66/500901166.db2.gz FHMCKIDMTOACSS-OAQYLSRUSA-N 1 1 363.461 3.202 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000607687004 506225447 /nfs/dbraw/zinc/22/54/47/506225447.db2.gz RDXPCWJVIMBENF-AWEZNQCLSA-N 1 1 356.388 3.436 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)c3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000439946138 500958211 /nfs/dbraw/zinc/95/82/11/500958211.db2.gz ULGPGYGUTYNWBN-IRXDYDNUSA-N 1 1 363.461 3.444 20 30 FGEDMO C[C@@H]1C[N@H+](CCCNc2cccc(Br)c2C#N)C[C@H](C)O1 ZINC000439957946 500959278 /nfs/dbraw/zinc/95/92/78/500959278.db2.gz MMCFORUSGNZMCU-BETUJISGSA-N 1 1 352.276 3.232 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000449550357 501030739 /nfs/dbraw/zinc/03/07/39/501030739.db2.gz CTGAQZIWIMSFIT-SFHLNBCPSA-N 1 1 364.493 3.447 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1OCCCC#N ZINC000449667040 501055490 /nfs/dbraw/zinc/05/54/90/501055490.db2.gz FJNUYTYCEQVPHV-RHSMWYFYSA-N 1 1 372.387 3.123 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441044960 501079027 /nfs/dbraw/zinc/07/90/27/501079027.db2.gz XYYODHRZVJWPMU-YWZLYKJASA-N 1 1 352.434 3.270 20 30 FGEDMO COC[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000449779776 501085042 /nfs/dbraw/zinc/08/50/42/501085042.db2.gz UPUSPRLEYGHYOL-KRWDZBQOSA-N 1 1 353.470 3.107 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000441187094 501100557 /nfs/dbraw/zinc/10/05/57/501100557.db2.gz YLXNXRVSKZCMTQ-OAQYLSRUSA-N 1 1 366.509 3.377 20 30 FGEDMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNc2cccc(Cl)c2C#N)cc[nH+]1 ZINC000450462124 501127590 /nfs/dbraw/zinc/12/75/90/501127590.db2.gz DYHMWYVEHZNFKF-STQMWFEESA-N 1 1 374.851 3.097 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000441374587 501129681 /nfs/dbraw/zinc/12/96/81/501129681.db2.gz WGSFACUTAZLFPK-CQSZACIVSA-N 1 1 371.378 3.320 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000441374587 501129683 /nfs/dbraw/zinc/12/96/83/501129683.db2.gz WGSFACUTAZLFPK-CQSZACIVSA-N 1 1 371.378 3.320 20 30 FGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H](C)C1 ZINC000441373415 501129856 /nfs/dbraw/zinc/12/98/56/501129856.db2.gz AYCAETYCYUHBNJ-BZUAXINKSA-N 1 1 361.511 3.376 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H](C)C1 ZINC000441373415 501129860 /nfs/dbraw/zinc/12/98/60/501129860.db2.gz AYCAETYCYUHBNJ-BZUAXINKSA-N 1 1 361.511 3.376 20 30 FGEDMO C=CCC1(C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CCCC1 ZINC000449990829 501147708 /nfs/dbraw/zinc/14/77/08/501147708.db2.gz SUTAIMWPBPNHQY-UHFFFAOYSA-N 1 1 371.525 3.388 20 30 FGEDMO COC(=O)[C@H](C)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000446831349 501169534 /nfs/dbraw/zinc/16/95/34/501169534.db2.gz DENGGQUAYIUNQZ-CYBMUJFWSA-N 1 1 355.356 3.210 20 30 FGEDMO Cn1c(C#N)ccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450145017 501192817 /nfs/dbraw/zinc/19/28/17/501192817.db2.gz HZGFIOQXBAKNAK-ICSRJNTNSA-N 1 1 362.477 3.023 20 30 FGEDMO C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000450805786 501211922 /nfs/dbraw/zinc/21/19/22/501211922.db2.gz DJTWYHWFYJTWCS-OAHLLOKOSA-N 1 1 365.437 3.007 20 30 FGEDMO C=CCOc1ccc(CC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000451322835 501264760 /nfs/dbraw/zinc/26/47/60/501264760.db2.gz SKFLBOXVZPVVAI-NRFANRHFSA-N 1 1 364.489 3.432 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455401285 501292707 /nfs/dbraw/zinc/29/27/07/501292707.db2.gz GSJKCZNJHGOWRZ-BQJUDKOJSA-N 1 1 369.509 3.026 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000455418963 501297619 /nfs/dbraw/zinc/29/76/19/501297619.db2.gz KDQGFMQVPWSMIX-RZUBCFFCSA-N 1 1 369.509 3.028 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000455547723 501330963 /nfs/dbraw/zinc/33/09/63/501330963.db2.gz RZLLOCPUFURANU-DNVCBOLYSA-N 1 1 366.440 3.160 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000455547721 501331020 /nfs/dbraw/zinc/33/10/20/501331020.db2.gz RZLLOCPUFURANU-BEFAXECRSA-N 1 1 366.440 3.160 20 30 FGEDMO C=C(C)Cn1c(N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453462544 501338689 /nfs/dbraw/zinc/33/86/89/501338689.db2.gz HJWDOXPSHHHYGJ-HLIPFELVSA-N 1 1 361.534 3.189 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c2ccccc21 ZINC000451702318 501355435 /nfs/dbraw/zinc/35/54/35/501355435.db2.gz IGGZURNTPHPYEN-KZNAEPCWSA-N 1 1 365.477 3.221 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1 ZINC000451702024 501355479 /nfs/dbraw/zinc/35/54/79/501355479.db2.gz IEBPUJIGRYAGNU-DYXWJJEUSA-N 1 1 369.509 3.033 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451709295 501357037 /nfs/dbraw/zinc/35/70/37/501357037.db2.gz KGGPLTXBXKVEJL-GOSISDBHSA-N 1 1 369.852 3.413 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21 ZINC000451709295 501357038 /nfs/dbraw/zinc/35/70/38/501357038.db2.gz KGGPLTXBXKVEJL-GOSISDBHSA-N 1 1 369.852 3.413 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCC(N)=O)[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000451715209 501357944 /nfs/dbraw/zinc/35/79/44/501357944.db2.gz QKLUGHUYKHCEBZ-SFHVURJKSA-N 1 1 369.852 3.413 20 30 FGEDMO N#Cc1ccc(C[N@H+](CCC(N)=O)[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000451715209 501357945 /nfs/dbraw/zinc/35/79/45/501357945.db2.gz QKLUGHUYKHCEBZ-SFHVURJKSA-N 1 1 369.852 3.413 20 30 FGEDMO CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@@H](C)CCC#N ZINC000602659179 506249181 /nfs/dbraw/zinc/24/91/81/506249181.db2.gz ONZVHYIBFHMPEP-LBPRGKRZSA-N 1 1 372.332 3.389 20 30 FGEDMO N#Cc1ncc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000455758649 501380208 /nfs/dbraw/zinc/38/02/08/501380208.db2.gz QMVAUNCLKSAQTB-CQSZACIVSA-N 1 1 355.829 3.003 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3cnc(C#N)c(Cl)c3)CC2)c1 ZINC000455759817 501380588 /nfs/dbraw/zinc/38/05/88/501380588.db2.gz SDKJFJOPZROJOI-UHFFFAOYSA-N 1 1 369.856 3.265 20 30 FGEDMO Cc1cc(CNC(=O)Nc2cnc(C#N)c(Cl)c2)cc(N2CCCC2)[nH+]1 ZINC000455767813 501382153 /nfs/dbraw/zinc/38/21/53/501382153.db2.gz VLIPYVPMBIEZEO-UHFFFAOYSA-N 1 1 370.844 3.232 20 30 FGEDMO CN(C(=O)Nc1cnc(C#N)c(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455797354 501387935 /nfs/dbraw/zinc/38/79/35/501387935.db2.gz VXEWYMSPDLJRAS-INIZCTEOSA-N 1 1 369.856 3.345 20 30 FGEDMO CO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCC2 ZINC000451864163 501388601 /nfs/dbraw/zinc/38/86/01/501388601.db2.gz ZKJWCUZWQSVWGU-DLBZAZTESA-N 1 1 359.495 3.130 20 30 FGEDMO CO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCC2 ZINC000451864163 501388602 /nfs/dbraw/zinc/38/86/02/501388602.db2.gz ZKJWCUZWQSVWGU-DLBZAZTESA-N 1 1 359.495 3.130 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1)C1CC1 ZINC000451929120 501402663 /nfs/dbraw/zinc/40/26/63/501402663.db2.gz SPRNOEBTFKDPKH-FQEVSTJZSA-N 1 1 361.436 3.028 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000451977309 501412334 /nfs/dbraw/zinc/41/23/34/501412334.db2.gz NGEWUVDPQDICDR-AZUAARDMSA-N 1 1 355.507 3.273 20 30 FGEDMO Cc1cc(C#N)cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455979612 501430683 /nfs/dbraw/zinc/43/06/83/501430683.db2.gz DOVHIOZRPADQAI-UHFFFAOYSA-N 1 1 373.460 3.478 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C)cc(C#N)c2)[C@@H](C)C1 ZINC000456001016 501435193 /nfs/dbraw/zinc/43/51/93/501435193.db2.gz LWCRMQMJULXROY-LPHOPBHVSA-N 1 1 358.486 3.125 20 30 FGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000452108533 501436989 /nfs/dbraw/zinc/43/69/89/501436989.db2.gz FEYHRJTUZHCTSR-UHFFFAOYSA-N 1 1 355.404 3.286 20 30 FGEDMO C[C@H]1CN(C(=O)Cc2c(F)cccc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000456344551 501504442 /nfs/dbraw/zinc/50/44/42/501504442.db2.gz RLRSMVOTDQUFSS-QGZVFWFLSA-N 1 1 365.452 3.220 20 30 FGEDMO CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458798143 501534279 /nfs/dbraw/zinc/53/42/79/501534279.db2.gz HGFOLTCCBKCGPY-FQEVSTJZSA-N 1 1 372.513 3.174 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459042365 501581645 /nfs/dbraw/zinc/58/16/45/501581645.db2.gz CHEURDNXMARBPL-YQQQUEKLSA-N 1 1 359.518 3.177 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459052746 501584056 /nfs/dbraw/zinc/58/40/56/501584056.db2.gz ZHLLKAIDSODQJG-WJMWBRGCSA-N 1 1 371.525 3.415 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000459103075 501594924 /nfs/dbraw/zinc/59/49/24/501594924.db2.gz BDHLDJMYSOHFGP-AEFFLSMTSA-N 1 1 372.488 3.493 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1F ZINC000456845307 501609290 /nfs/dbraw/zinc/60/92/90/501609290.db2.gz UEDTZLCUAKKSOG-LJQANCHMSA-N 1 1 355.388 3.117 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1F ZINC000456845307 501609292 /nfs/dbraw/zinc/60/92/92/501609292.db2.gz UEDTZLCUAKKSOG-LJQANCHMSA-N 1 1 355.388 3.117 20 30 FGEDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000454766043 501625196 /nfs/dbraw/zinc/62/51/96/501625196.db2.gz HUVBJPVZEGYONS-OAQYLSRUSA-N 1 1 362.477 3.429 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459370773 501641200 /nfs/dbraw/zinc/64/12/00/501641200.db2.gz HPPDPVMAMOENGR-UHFFFAOYSA-N 1 1 352.438 3.467 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000459378862 501643034 /nfs/dbraw/zinc/64/30/34/501643034.db2.gz RPAFNUFGZRWPDE-INIZCTEOSA-N 1 1 361.405 3.481 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000459378862 501643037 /nfs/dbraw/zinc/64/30/37/501643037.db2.gz RPAFNUFGZRWPDE-INIZCTEOSA-N 1 1 361.405 3.481 20 30 FGEDMO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@H]3CCC[C@@H]3C#N)ccc2c1 ZINC000459471148 501659292 /nfs/dbraw/zinc/65/92/92/501659292.db2.gz VILMWOFSTWLOPN-DLVCFXQMSA-N 1 1 365.477 3.477 20 30 FGEDMO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1nc2c(s1)CCC2 ZINC000459640720 501691488 /nfs/dbraw/zinc/69/14/88/501691488.db2.gz XNNAOAOIBUQMAZ-AWEZNQCLSA-N 1 1 354.479 3.229 20 30 FGEDMO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000459662974 501694850 /nfs/dbraw/zinc/69/48/50/501694850.db2.gz VYEWQMNAHFSLBU-LBPRGKRZSA-N 1 1 368.275 3.087 20 30 FGEDMO Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)ncc1C#N ZINC000457434548 501697390 /nfs/dbraw/zinc/69/73/90/501697390.db2.gz DYJZEFRWADNCFQ-LJQANCHMSA-N 1 1 368.868 3.482 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459693703 501699883 /nfs/dbraw/zinc/69/98/83/501699883.db2.gz ZSKBDDUYHRFMNB-JQHSSLGASA-N 1 1 360.523 3.152 20 30 FGEDMO CCOC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000459728307 501705351 /nfs/dbraw/zinc/70/53/51/501705351.db2.gz ZIEJVDVSLUWEEF-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO C[C@H](C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C(=O)OC(C)(C)C ZINC000459803104 501716237 /nfs/dbraw/zinc/71/62/37/501716237.db2.gz JJVVXMRRAPWJQN-CYBMUJFWSA-N 1 1 356.426 3.018 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C(=O)OC(C)(C)C ZINC000459803104 501716238 /nfs/dbraw/zinc/71/62/38/501716238.db2.gz JJVVXMRRAPWJQN-CYBMUJFWSA-N 1 1 356.426 3.018 20 30 FGEDMO C=CCOc1ccc(C[N@H+](CC(=O)Nc2cc(C)on2)C(C)(C)C)cc1 ZINC000474179032 501733022 /nfs/dbraw/zinc/73/30/22/501733022.db2.gz SAEQCNXTJLSBNY-UHFFFAOYSA-N 1 1 357.454 3.209 20 30 FGEDMO O=C(C[N@H+]1CCC[C@H]1C1CCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000477628724 501742946 /nfs/dbraw/zinc/74/29/46/501742946.db2.gz VRAMBRHRUMCSAX-SFHVURJKSA-N 1 1 364.411 3.438 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474207772 501744371 /nfs/dbraw/zinc/74/43/71/501744371.db2.gz BJLMSIPSELEKJG-GOSISDBHSA-N 1 1 368.506 3.155 20 30 FGEDMO CN(CCC(=O)Nc1sccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474207772 501744379 /nfs/dbraw/zinc/74/43/79/501744379.db2.gz BJLMSIPSELEKJG-GOSISDBHSA-N 1 1 368.506 3.155 20 30 FGEDMO CN(CCC(=O)Nc1sccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474207772 501744386 /nfs/dbraw/zinc/74/43/86/501744386.db2.gz BJLMSIPSELEKJG-GOSISDBHSA-N 1 1 368.506 3.155 20 30 FGEDMO COCC[C@H]1CCCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000467271438 501754037 /nfs/dbraw/zinc/75/40/37/501754037.db2.gz NVTNRRJUMHYHLA-RTBURBONSA-N 1 1 357.498 3.460 20 30 FGEDMO COC[C@@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000467299746 501763281 /nfs/dbraw/zinc/76/32/81/501763281.db2.gz WKZQOWODXDQLLF-ZIAGYGMSSA-N 1 1 361.511 3.184 20 30 FGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)CC(=O)Nc1cccc(OC)c1 ZINC000477748290 501775716 /nfs/dbraw/zinc/77/57/16/501775716.db2.gz ZZYWZQDXHURDTQ-UHFFFAOYSA-N 1 1 367.449 3.296 20 30 FGEDMO C[N@@H+](CCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000477947031 501836662 /nfs/dbraw/zinc/83/66/62/501836662.db2.gz HJTTWEGIKHOCNZ-UHFFFAOYSA-N 1 1 367.415 3.231 20 30 FGEDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H]1C ZINC000602729092 506276843 /nfs/dbraw/zinc/27/68/43/506276843.db2.gz KTOAJKSUDDLABX-YWZLYKJASA-N 1 1 360.454 3.009 20 30 FGEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000485784161 501935060 /nfs/dbraw/zinc/93/50/60/501935060.db2.gz MOXBOGFNRBOFEP-IERDGZPVSA-N 1 1 363.461 3.468 20 30 FGEDMO CCc1nc(C#N)cc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000596152687 506283138 /nfs/dbraw/zinc/28/31/38/506283138.db2.gz NQFSUSBYXKVXQJ-JOCHJYFZSA-N 1 1 361.493 3.403 20 30 FGEDMO CN(C(=O)c1ccc(NC(=O)CCCCCC#N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000588541719 506284600 /nfs/dbraw/zinc/28/46/00/506284600.db2.gz BBMNALLELWUEIY-IBGZPJMESA-N 1 1 370.497 3.265 20 30 FGEDMO COC(=O)c1ccc(N2CC[N@H+](Cc3ccc(F)c(C#N)c3)[C@H](C)C2)cc1 ZINC000468275608 502014481 /nfs/dbraw/zinc/01/44/81/502014481.db2.gz BIFIZSQLJJCCEH-OAHLLOKOSA-N 1 1 367.424 3.195 20 30 FGEDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@H](C)C2)cc1 ZINC000468275608 502014486 /nfs/dbraw/zinc/01/44/86/502014486.db2.gz BIFIZSQLJJCCEH-OAHLLOKOSA-N 1 1 367.424 3.195 20 30 FGEDMO C=CC[N@@H+](C[C@H](O)C1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475045409 502034208 /nfs/dbraw/zinc/03/42/08/502034208.db2.gz FDEFLDILKWBGOU-UZLBHIALSA-N 1 1 355.486 3.153 20 30 FGEDMO C=C(C)COCCNC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475072111 502044675 /nfs/dbraw/zinc/04/46/75/502044675.db2.gz ZJDZWDBXZVBMPA-QUCCMNQESA-N 1 1 359.514 3.446 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000468487315 502077177 /nfs/dbraw/zinc/07/71/77/502077177.db2.gz HHDFEQQYNZEMMF-HNNXBMFYSA-N 1 1 359.433 3.407 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000468487315 502077181 /nfs/dbraw/zinc/07/71/81/502077181.db2.gz HHDFEQQYNZEMMF-HNNXBMFYSA-N 1 1 359.433 3.407 20 30 FGEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000461358372 502080810 /nfs/dbraw/zinc/08/08/10/502080810.db2.gz FHUQTHCPCDVVPJ-FQEVSTJZSA-N 1 1 362.477 3.488 20 30 FGEDMO N#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000461436582 502113895 /nfs/dbraw/zinc/11/38/95/502113895.db2.gz CSRYSTUXUYWOCK-IAGOWNOFSA-N 1 1 351.475 3.214 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468878960 502216461 /nfs/dbraw/zinc/21/64/61/502216461.db2.gz GMVBDPHHTFDTQN-HUUCEWRRSA-N 1 1 352.438 3.063 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000482931363 502220345 /nfs/dbraw/zinc/22/03/45/502220345.db2.gz STLQTZJGNCNODO-UHFFFAOYSA-N 1 1 365.437 3.015 20 30 FGEDMO C[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000461903552 502230334 /nfs/dbraw/zinc/23/03/34/502230334.db2.gz VAGYDVUXXVGZNF-CABCVRRESA-N 1 1 353.491 3.286 20 30 FGEDMO C[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000461903552 502230337 /nfs/dbraw/zinc/23/03/37/502230337.db2.gz VAGYDVUXXVGZNF-CABCVRRESA-N 1 1 353.491 3.286 20 30 FGEDMO 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CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(Br)c1 ZINC000554180977 505111405 /nfs/dbraw/zinc/11/14/05/505111405.db2.gz HJDZDALWMBBQCR-QGZVFWFLSA-N 1 1 364.287 3.079 20 30 FGEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1cccc(Br)c1 ZINC000554180977 505111408 /nfs/dbraw/zinc/11/14/08/505111408.db2.gz HJDZDALWMBBQCR-QGZVFWFLSA-N 1 1 364.287 3.079 20 30 FGEDMO COc1cccc([C@@H]([NH2+]CCn2cnc(C#N)n2)c2ccccc2Cl)c1 ZINC000560585422 505135123 /nfs/dbraw/zinc/13/51/23/505135123.db2.gz SMODJBWEHJRZFP-LJQANCHMSA-N 1 1 367.840 3.191 20 30 FGEDMO C=CCn1c(C2CC2)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000566326875 505144434 /nfs/dbraw/zinc/14/44/34/505144434.db2.gz IJQXBXOOUWHANF-KRWDZBQOSA-N 1 1 351.498 3.442 20 30 FGEDMO C=CCn1c(SCC[NH+]2C[C@@H](C)O[C@H](C)C2)nnc1-c1ccoc1C ZINC000566495233 505189890 /nfs/dbraw/zinc/18/98/90/505189890.db2.gz FDRMWWNTZCQYRY-ZIAGYGMSSA-N 1 1 362.499 3.234 20 30 FGEDMO Cc1cnc([C@@H]([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C2CC2)s1 ZINC000563605104 505190657 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FGEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)COc1ccccc1C#N ZINC000599262913 506390516 /nfs/dbraw/zinc/39/05/16/506390516.db2.gz BXQRJDBLADSVLS-KRWDZBQOSA-N 1 1 364.367 3.449 20 30 FGEDMO COc1cc(C[N@@H+](C)C[C@H](O)COc2ccccc2C#N)ccc1SC ZINC000599274969 506394362 /nfs/dbraw/zinc/39/43/62/506394362.db2.gz IRDPUZRYJDDMFK-KRWDZBQOSA-N 1 1 372.490 3.160 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593114423 506401922 /nfs/dbraw/zinc/40/19/22/506401922.db2.gz BAMNRDDKRRMTLL-CXAGYDPISA-N 1 1 351.372 3.192 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593114423 506401928 /nfs/dbraw/zinc/40/19/28/506401928.db2.gz BAMNRDDKRRMTLL-CXAGYDPISA-N 1 1 351.372 3.192 20 30 FGEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599311801 506407116 /nfs/dbraw/zinc/40/71/16/506407116.db2.gz MRUSTFQAXIRDSP-GJZGRUSLSA-N 1 1 359.495 3.360 20 30 FGEDMO Cc1ccc(C[NH2+][C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000599329616 506414519 /nfs/dbraw/zinc/41/45/19/506414519.db2.gz AMQJNLPFOJFLST-GOSISDBHSA-N 1 1 361.367 3.376 20 30 FGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)C[C@@H](O)COc2ccccc2C#N)cc1 ZINC000599338852 506418776 /nfs/dbraw/zinc/41/87/76/506418776.db2.gz HQLFHAFLXWIILZ-YLJYHZDGSA-N 1 1 368.477 3.117 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccnc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000603128572 506430155 /nfs/dbraw/zinc/43/01/55/506430155.db2.gz JPXGLTJYDBAHIC-OXQOHEQNSA-N 1 1 363.465 3.470 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CCOCC1 ZINC000599403616 506442844 /nfs/dbraw/zinc/44/28/44/506442844.db2.gz FDARJHPMCGJAOM-PLACYPQZSA-N 1 1 354.494 3.468 20 30 FGEDMO CCc1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)cc1 ZINC000599417694 506447735 /nfs/dbraw/zinc/44/77/35/506447735.db2.gz OQHIYZHLANXXMG-RTWAWAEBSA-N 1 1 356.510 3.500 20 30 FGEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000582887357 506472720 /nfs/dbraw/zinc/47/27/20/506472720.db2.gz SJLGIMGWBJNMNW-ZHALLVOQSA-N 1 1 366.513 3.083 20 30 FGEDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1)CC(C)C ZINC000589197177 506478948 /nfs/dbraw/zinc/47/89/48/506478948.db2.gz KNNAKOXCNNXOOQ-UHFFFAOYSA-N 1 1 357.498 3.484 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596632702 506501626 /nfs/dbraw/zinc/50/16/26/506501626.db2.gz ZFDAAAFZMZMXCF-WIYYLYMNSA-N 1 1 366.509 3.357 20 30 FGEDMO CN(C(=O)NCCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000596671989 506524805 /nfs/dbraw/zinc/52/48/05/506524805.db2.gz JMNKTRQKIHBTBE-NRFANRHFSA-N 1 1 362.477 3.017 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000612326194 506527963 /nfs/dbraw/zinc/52/79/63/506527963.db2.gz AKZHUSHMWDOMPT-KRWDZBQOSA-N 1 1 365.543 3.193 20 30 FGEDMO CO[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000596695872 506543906 /nfs/dbraw/zinc/54/39/06/506543906.db2.gz XJLMVFMDZAMJQE-NRFANRHFSA-N 1 1 369.509 3.188 20 30 FGEDMO CO[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000596695872 506543914 /nfs/dbraw/zinc/54/39/14/506543914.db2.gz XJLMVFMDZAMJQE-NRFANRHFSA-N 1 1 369.509 3.188 20 30 FGEDMO C[C@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000583030713 506550601 /nfs/dbraw/zinc/55/06/01/506550601.db2.gz VDAKBOXUPWBCNT-HNNXBMFYSA-N 1 1 370.478 3.128 20 30 FGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000583030713 506550605 /nfs/dbraw/zinc/55/06/05/506550605.db2.gz VDAKBOXUPWBCNT-HNNXBMFYSA-N 1 1 370.478 3.128 20 30 FGEDMO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000599657764 506558361 /nfs/dbraw/zinc/55/83/61/506558361.db2.gz LLZLMMUQLMFOFD-UTKZUKDTSA-N 1 1 358.530 3.013 20 30 FGEDMO COC(=O)CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCCO1 ZINC000589502360 506571802 /nfs/dbraw/zinc/57/18/02/506571802.db2.gz PAADWDXYPPAZQB-OAHLLOKOSA-N 1 1 370.371 3.121 20 30 FGEDMO CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000599677653 506575078 /nfs/dbraw/zinc/57/50/78/506575078.db2.gz IUXSREXRQQRVFX-KRWDZBQOSA-N 1 1 353.510 3.395 20 30 FGEDMO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685548 506579718 /nfs/dbraw/zinc/57/97/18/506579718.db2.gz FZMKKLYJPCCLQJ-IAGOWNOFSA-N 1 1 359.473 3.477 20 30 FGEDMO C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685548 506579726 /nfs/dbraw/zinc/57/97/26/506579726.db2.gz FZMKKLYJPCCLQJ-IAGOWNOFSA-N 1 1 359.473 3.477 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(C#N)CCCC1 ZINC000593370483 506580898 /nfs/dbraw/zinc/58/08/98/506580898.db2.gz LUBMQUCNVIKZEV-MJGOQNOKSA-N 1 1 354.498 3.280 20 30 FGEDMO C[C@@H](NC(=O)N1Cc2cccc(C#N)c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000593388041 506592273 /nfs/dbraw/zinc/59/22/73/506592273.db2.gz CSENGDFHRXWZCK-WBVHZDCISA-N 1 1 352.482 3.236 20 30 FGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC2(C#N)CCOCC2)cc1 ZINC000596804140 506608894 /nfs/dbraw/zinc/60/88/94/506608894.db2.gz VUDRXWDWDAIFRZ-SFHVURJKSA-N 1 1 369.509 3.388 20 30 FGEDMO COc1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000612586765 506638849 /nfs/dbraw/zinc/63/88/49/506638849.db2.gz LEBCXRJGLPNPPZ-UHFFFAOYSA-N 1 1 361.449 3.499 20 30 FGEDMO COc1ccc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000612586765 506638855 /nfs/dbraw/zinc/63/88/55/506638855.db2.gz LEBCXRJGLPNPPZ-UHFFFAOYSA-N 1 1 361.449 3.499 20 30 FGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)C1 ZINC000589743983 506641070 /nfs/dbraw/zinc/64/10/70/506641070.db2.gz VNUBOACKZGQFIU-XCLNPWKQSA-N 1 1 355.482 3.148 20 30 FGEDMO COc1cc(NC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c(F)cc1C#N ZINC000599811200 506651263 /nfs/dbraw/zinc/65/12/63/506651263.db2.gz RLVCJZLXOKMZEU-MRXNPFEDSA-N 1 1 368.412 3.102 20 30 FGEDMO COc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)cc1C#N ZINC000599815642 506652462 /nfs/dbraw/zinc/65/24/62/506652462.db2.gz CBXSGKLEVSMTRH-FZKQIMNGSA-N 1 1 372.444 3.187 20 30 FGEDMO N#Cc1nc(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)ccc1Cl ZINC000593496631 506653082 /nfs/dbraw/zinc/65/30/82/506653082.db2.gz UQEBQXPMCXLSGV-RTBURBONSA-N 1 1 368.868 3.086 20 30 FGEDMO COc1cc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c(F)cc1C#N ZINC000599817052 506653553 /nfs/dbraw/zinc/65/35/53/506653553.db2.gz HIBLJPYQPURZAY-AWEZNQCLSA-N 1 1 362.449 3.482 20 30 FGEDMO C[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](Cc2ccccc2)C1 ZINC000593505204 506658196 /nfs/dbraw/zinc/65/81/96/506658196.db2.gz UUKXCAOLXYABKN-INIZCTEOSA-N 1 1 360.383 3.335 20 30 FGEDMO Cc1ccc(OC[C@@H](O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(C)c1 ZINC000583226575 506659630 /nfs/dbraw/zinc/65/96/30/506659630.db2.gz KDIUTLQDHBWADF-NRFANRHFSA-N 1 1 368.477 3.063 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593525574 506670793 /nfs/dbraw/zinc/67/07/93/506670793.db2.gz ICLKLWSCIMCJCW-INIZCTEOSA-N 1 1 363.527 3.031 20 30 FGEDMO CC[C@H](C#N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000593528599 506672038 /nfs/dbraw/zinc/67/20/38/506672038.db2.gz OBVAGVLFRVEPPD-CQSZACIVSA-N 1 1 364.287 3.079 20 30 FGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(OC)cc1OC ZINC000593570681 506687877 /nfs/dbraw/zinc/68/78/77/506687877.db2.gz HSWHXQANKQGWIX-UHFFFAOYSA-N 1 1 358.413 3.363 20 30 FGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(OC)cc1OC ZINC000593570681 506687884 /nfs/dbraw/zinc/68/78/84/506687884.db2.gz HSWHXQANKQGWIX-UHFFFAOYSA-N 1 1 358.413 3.363 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590003965 506703074 /nfs/dbraw/zinc/70/30/74/506703074.db2.gz YZBYBWCVYXWVAD-DYVFJYSZSA-N 1 1 370.840 3.087 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590003965 506703082 /nfs/dbraw/zinc/70/30/82/506703082.db2.gz YZBYBWCVYXWVAD-DYVFJYSZSA-N 1 1 370.840 3.087 20 30 FGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000597001077 506725271 /nfs/dbraw/zinc/72/52/71/506725271.db2.gz PPNFYGKUDDDVJS-UEXGIBASSA-N 1 1 353.510 3.315 20 30 FGEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000593676962 506725534 /nfs/dbraw/zinc/72/55/34/506725534.db2.gz RKHVIQBRJOHDBO-IBGZPJMESA-N 1 1 361.449 3.207 20 30 FGEDMO COC(=O)c1cc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)oc1C ZINC000593703416 506741449 /nfs/dbraw/zinc/74/14/49/506741449.db2.gz USKUYJCQUIOHKU-UHFFFAOYSA-N 1 1 367.449 3.001 20 30 FGEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1 ZINC000597051088 506751357 /nfs/dbraw/zinc/75/13/57/506751357.db2.gz HEVRNUSTBRRIBB-UHFFFAOYSA-N 1 1 351.406 3.392 20 30 FGEDMO COc1cccc([C@@H](C)[NH+]2CCN(c3nc4c(cc3C#N)CCC4)CC2)c1 ZINC000609143767 506791923 /nfs/dbraw/zinc/79/19/23/506791923.db2.gz KDFXAIWRZOTGDP-MRXNPFEDSA-N 1 1 362.477 3.334 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000583472931 506796193 /nfs/dbraw/zinc/79/61/93/506796193.db2.gz LOQIGHBMOMLZPX-UHFFFAOYSA-N 1 1 360.458 3.041 20 30 FGEDMO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000583482276 506802664 /nfs/dbraw/zinc/80/26/64/506802664.db2.gz PBFQJKFACPJUDF-UHFFFAOYSA-N 1 1 354.502 3.145 20 30 FGEDMO C[C@@H](c1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc1)[NH+]1CCOCC1 ZINC000597162562 506808420 /nfs/dbraw/zinc/80/84/20/506808420.db2.gz KTALZNBCBVTFNZ-ZDUSSCGKSA-N 1 1 371.387 3.482 20 30 FGEDMO COc1cc(C)c(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1OC ZINC000597182440 506820341 /nfs/dbraw/zinc/82/03/41/506820341.db2.gz AIXRCHWFJBYKBZ-UHFFFAOYSA-N 1 1 357.479 3.268 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(-c2ccncc2)n1 ZINC000600187980 506831300 /nfs/dbraw/zinc/83/13/00/506831300.db2.gz BQBOGPDZKJKNAZ-MSOLQXFVSA-N 1 1 353.495 3.329 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000593947953 506841394 /nfs/dbraw/zinc/84/13/94/506841394.db2.gz FGRQTHPLJQIYLY-IBGZPJMESA-N 1 1 361.489 3.390 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1OC ZINC000600203326 506841596 /nfs/dbraw/zinc/84/15/96/506841596.db2.gz UUDLVUPPPLJLAO-JPMUSVJPSA-N 1 1 369.914 3.399 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1OC ZINC000600203326 506841600 /nfs/dbraw/zinc/84/16/00/506841600.db2.gz UUDLVUPPPLJLAO-JPMUSVJPSA-N 1 1 369.914 3.399 20 30 FGEDMO COc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc(OC)c1OC ZINC000600213420 506850625 /nfs/dbraw/zinc/85/06/25/506850625.db2.gz DYRZTOMGHSULBF-UHFFFAOYSA-N 1 1 352.434 3.337 20 30 FGEDMO COc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc(OC)c1OC ZINC000600213420 506850633 /nfs/dbraw/zinc/85/06/33/506850633.db2.gz DYRZTOMGHSULBF-UHFFFAOYSA-N 1 1 352.434 3.337 20 30 FGEDMO C[C@H](C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000600212269 506850965 /nfs/dbraw/zinc/85/09/65/506850965.db2.gz BFNDLDKITPJAGK-MRXNPFEDSA-N 1 1 368.502 3.318 20 30 FGEDMO COc1ccc(COCC[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC000609385011 506872281 /nfs/dbraw/zinc/87/22/81/506872281.db2.gz FULZJJSHJVADSP-UHFFFAOYSA-N 1 1 369.440 3.045 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000604561028 506875168 /nfs/dbraw/zinc/87/51/68/506875168.db2.gz RDFOZGOTOKKAJJ-SFTDATJTSA-N 1 1 350.462 3.395 20 30 FGEDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000590604817 506877951 /nfs/dbraw/zinc/87/79/51/506877951.db2.gz QQRSEOBSWRTOEP-KRWDZBQOSA-N 1 1 350.466 3.058 20 30 FGEDMO CCOc1ccccc1C[N@H+]1CCN(Cc2ccc(C#N)cn2)[C@@H](C)C1 ZINC000590604817 506877954 /nfs/dbraw/zinc/87/79/54/506877954.db2.gz QQRSEOBSWRTOEP-KRWDZBQOSA-N 1 1 350.466 3.058 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026195 506891767 /nfs/dbraw/zinc/89/17/67/506891767.db2.gz FMSIJUSQDWEPKL-YLJYHZDGSA-N 1 1 355.482 3.355 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026195 506891774 /nfs/dbraw/zinc/89/17/74/506891774.db2.gz FMSIJUSQDWEPKL-YLJYHZDGSA-N 1 1 355.482 3.355 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000590704312 506917529 /nfs/dbraw/zinc/91/75/29/506917529.db2.gz QUSBVHXHPYSTPZ-DUXKGJEZSA-N 1 1 362.477 3.225 20 30 FGEDMO CC(C)(C#N)c1ccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)cc1 ZINC000590765245 506942637 /nfs/dbraw/zinc/94/26/37/506942637.db2.gz OEZOQQGHJHABGE-UHFFFAOYSA-N 1 1 367.493 3.415 20 30 FGEDMO CC(C)(C#N)c1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)cc1 ZINC000590765245 506942644 /nfs/dbraw/zinc/94/26/44/506942644.db2.gz OEZOQQGHJHABGE-UHFFFAOYSA-N 1 1 367.493 3.415 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCOC1 ZINC000609631565 506954071 /nfs/dbraw/zinc/95/40/71/506954071.db2.gz BRJHRECTDSWFQJ-CQSZACIVSA-N 1 1 361.511 3.186 20 30 FGEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000590803876 506969545 /nfs/dbraw/zinc/96/95/45/506969545.db2.gz NZYGTPRIHOEOMT-QGZVFWFLSA-N 1 1 365.437 3.303 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCOC(C)(C)C2)ccc1Cl ZINC000609766725 506993255 /nfs/dbraw/zinc/99/32/55/506993255.db2.gz JHWDZZOLSMGVNU-UHFFFAOYSA-N 1 1 363.889 3.396 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCOC(C)(C)C2)ccc1Cl ZINC000609766725 506993261 /nfs/dbraw/zinc/99/32/61/506993261.db2.gz JHWDZZOLSMGVNU-UHFFFAOYSA-N 1 1 363.889 3.396 20 30 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Cc1cc(=NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[nH]n1CCC#N ZINC000540816693 562593753 /nfs/dbraw/zinc/59/37/53/562593753.db2.gz XXHPWRIUCMEJQL-SJLPKXTDSA-N 1 1 366.469 3.062 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736197904 599309241 /nfs/dbraw/zinc/30/92/41/599309241.db2.gz DEUWJFGVNRJPNA-MRXNPFEDSA-N 1 1 373.464 3.012 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000823909766 607488065 /nfs/dbraw/zinc/48/80/65/607488065.db2.gz QCWAXIZKWSZKKO-UHFFFAOYSA-N 1 1 365.437 3.072 20 30 FGEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428747 607519048 /nfs/dbraw/zinc/51/90/48/607519048.db2.gz SQAARWHPNXXLSM-AWEZNQCLSA-N 1 1 362.437 3.330 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822802352 606452001 /nfs/dbraw/zinc/45/20/01/606452001.db2.gz ZNHFHEGQKRTIRZ-UXHICEINSA-N 1 1 374.448 3.017 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822802352 606452003 /nfs/dbraw/zinc/45/20/03/606452003.db2.gz ZNHFHEGQKRTIRZ-UXHICEINSA-N 1 1 374.448 3.017 20 30 FGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000826384638 608462890 /nfs/dbraw/zinc/46/28/90/608462890.db2.gz CWSSMHZOLFCWTQ-UHFFFAOYSA-N 1 1 360.396 3.167 20 30 FGEDMO CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000825435452 608647516 /nfs/dbraw/zinc/64/75/16/608647516.db2.gz YRGMDADFDQBZMS-CYBMUJFWSA-N 1 1 350.401 3.461 20 30 FGEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000823931879 609333885 /nfs/dbraw/zinc/33/38/85/609333885.db2.gz IRMGYFKEKDRAQW-ZDUSSCGKSA-N 1 1 353.401 3.421 20 30 FGEDMO C[C@@H]1C[N@@H+](C(C)(C)C/N=C/c2cc(Br)ccc2O)C[C@H](C)O1 ZINC000011115248 695596912 /nfs/dbraw/zinc/59/69/12/695596912.db2.gz TZAFELDLNWKNBZ-KWAVKNKRSA-N 1 1 369.303 3.461 20 30 FGEDMO C=CCn1c(C)nn(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1=S ZINC000184954662 712679688 /nfs/dbraw/zinc/67/96/88/712679688.db2.gz GLIGDKSNNOBHOT-CQSZACIVSA-N 1 1 363.556 3.306 20 30 FGEDMO CSCC[C@@H]([NH2+]Cc1ccc(C#N)cc1C)c1nnc2ccccn21 ZINC000188273769 712766297 /nfs/dbraw/zinc/76/62/97/712766297.db2.gz IQZJBRHLKZXSCY-QGZVFWFLSA-N 1 1 351.479 3.493 20 30 FGEDMO C=CCn1c(C)nn(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1=S ZINC000247171232 713636712 /nfs/dbraw/zinc/63/67/12/713636712.db2.gz UCXOPZPGLASKPR-SJLPKXTDSA-N 1 1 363.575 3.452 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000248857551 713659766 /nfs/dbraw/zinc/65/97/66/713659766.db2.gz QCAZOUUGZQAFIS-HXUWFJFHSA-N 1 1 355.869 3.457 20 30 FGEDMO CN1CC[C@@H](CNC(=[NH2+])NC2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262049706 713717749 /nfs/dbraw/zinc/71/77/49/713717749.db2.gz VOAMXVHIJMLHNZ-GUYCJALGSA-N 1 1 352.885 3.319 20 30 FGEDMO COc1ccc(NC(=[NH2+])NCc2ccc(F)c(CN(C)C)c2)cc1Cl ZINC000304760827 713791816 /nfs/dbraw/zinc/79/18/16/713791816.db2.gz SXFYCGOOJMANTO-UHFFFAOYSA-N 1 1 364.852 3.476 20 30 FGEDMO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)o1 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3.198 20 30 FGEDMO C=CC[N@@H+](Cc1ccn(C)c(=O)c1)Cc1cc(Br)ccc1F ZINC000623728138 715392395 /nfs/dbraw/zinc/39/23/95/715392395.db2.gz AJIYAXBBSCNGEU-UHFFFAOYSA-N 1 1 365.246 3.475 20 30 FGEDMO C=CC[N@H+](Cc1ccn(C)c(=O)c1)Cc1cc(Br)ccc1F ZINC000623728138 715392400 /nfs/dbraw/zinc/39/24/00/715392400.db2.gz AJIYAXBBSCNGEU-UHFFFAOYSA-N 1 1 365.246 3.475 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(C(=O)NCCCC)CC1 ZINC000779154043 724395812 /nfs/dbraw/zinc/39/58/12/724395812.db2.gz OHVNMWYWFDNVET-UHFFFAOYSA-N 1 1 362.901 3.480 20 30 FGEDMO O=C(NCc1ccccc1)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000646057003 718260238 /nfs/dbraw/zinc/26/02/38/718260238.db2.gz QUJMNIAASKVQKD-IBGZPJMESA-N 1 1 352.865 3.330 20 30 FGEDMO O=C(NCc1ccccc1)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000646057003 718260241 /nfs/dbraw/zinc/26/02/41/718260241.db2.gz QUJMNIAASKVQKD-IBGZPJMESA-N 1 1 352.865 3.330 20 30 FGEDMO C=C(C)Cn1c(CC(F)(F)F)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000647408839 718355574 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C=CC[C@@]1(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000662668418 720451447 /nfs/dbraw/zinc/45/14/47/720451447.db2.gz FKLVMINBTSGOGH-FQEVSTJZSA-N 1 1 361.917 3.119 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH]ccc3ncc(C#N)c1-3)[C@H]2C ZINC001164857183 720990874 /nfs/dbraw/zinc/99/08/74/720990874.db2.gz CUFDKPKHXARVHG-AWEZNQCLSA-N 1 1 363.469 3.052 20 30 FGEDMO N#CC1(c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2)CCC1 ZINC001164783414 721410194 /nfs/dbraw/zinc/41/01/94/721410194.db2.gz IGOIRNLBPYJTGE-HOTGVXAUSA-N 1 1 365.506 3.052 20 30 FGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164791339 721492723 /nfs/dbraw/zinc/49/27/23/721492723.db2.gz ATFLPKCFHQNTGW-UHFFFAOYSA-N 1 1 372.476 3.101 20 30 FGEDMO Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1ccc(Br)cn1 ZINC000783840206 724795375 /nfs/dbraw/zinc/79/53/75/724795375.db2.gz XAIOOAKBOSYVTE-UHFFFAOYSA-N 1 1 357.215 3.179 20 30 FGEDMO Cc1cc(C#N)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024507 721828366 /nfs/dbraw/zinc/82/83/66/721828366.db2.gz KJBUZBMKGYPASX-SESVDKBCSA-N 1 1 361.493 3.394 20 30 FGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677479936 721897352 /nfs/dbraw/zinc/89/73/52/721897352.db2.gz RSZCRGUYUWXGIA-KGLIPLIRSA-N 1 1 364.287 3.297 20 30 FGEDMO Cc1nc(N2CC[NH+](CCOc3ccccc3)CC2)c(C#N)c(C)c1Cl ZINC001165042961 721952998 /nfs/dbraw/zinc/95/29/98/721952998.db2.gz UVPXLZBNFRYOKJ-UHFFFAOYSA-N 1 1 370.884 3.425 20 30 FGEDMO Cc1cc(C#N)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1C ZINC001164952602 722016363 /nfs/dbraw/zinc/01/63/63/722016363.db2.gz OFJNLXZEMWFULT-UHFFFAOYSA-N 1 1 361.493 3.458 20 30 FGEDMO N#Cc1c(F)ccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995143 722202894 /nfs/dbraw/zinc/20/28/94/722202894.db2.gz LGTYBQLOWDTLAN-HXUWFJFHSA-N 1 1 354.404 3.476 20 30 FGEDMO Cc1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(C#N)n1 ZINC001164997276 722206515 /nfs/dbraw/zinc/20/65/15/722206515.db2.gz YEPNHNYRIXTRBI-HXUWFJFHSA-N 1 1 351.429 3.041 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1Cl ZINC000685442389 722385236 /nfs/dbraw/zinc/38/52/36/722385236.db2.gz AMLLLXKCQMUXGN-NVXWUHKLSA-N 1 1 350.890 3.200 20 30 FGEDMO C#CCOc1ccc(Br)cc1CNCC[N@H+](CC)C(C)C ZINC000726607548 722436388 /nfs/dbraw/zinc/43/63/88/722436388.db2.gz QBQIUGCOWBRZTE-UHFFFAOYSA-N 1 1 353.304 3.281 20 30 FGEDMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000727647289 722445991 /nfs/dbraw/zinc/44/59/91/722445991.db2.gz YCMNJXVDXYGSQB-HNNXBMFYSA-N 1 1 361.243 3.115 20 30 FGEDMO C#Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000728803450 722454570 /nfs/dbraw/zinc/45/45/70/722454570.db2.gz DHJGWUPJUUWOKU-LJQANCHMSA-N 1 1 353.853 3.283 20 30 FGEDMO C#CC[N@@H+](CCn1cc(C)cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195841 722493746 /nfs/dbraw/zinc/49/37/46/722493746.db2.gz WRWMLWNFRIBUCR-QGZVFWFLSA-N 1 1 374.282 3.413 20 30 FGEDMO C#CC[N@H+](CCn1cc(C)cn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195841 722493747 /nfs/dbraw/zinc/49/37/47/722493747.db2.gz WRWMLWNFRIBUCR-QGZVFWFLSA-N 1 1 374.282 3.413 20 30 FGEDMO C#CCOc1ccccc1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000734159243 722504799 /nfs/dbraw/zinc/50/47/99/722504799.db2.gz JXFHKZOMMADFNH-UHFFFAOYSA-N 1 1 374.234 3.480 20 30 FGEDMO CCOCCC[N@H+]1CCC(=NNC(=S)Nc2ccc(C)cc2)[C@H](C)C1 ZINC000735224436 722513507 /nfs/dbraw/zinc/51/35/07/722513507.db2.gz RIRYPIZAQCUJIQ-MRXNPFEDSA-N 1 1 362.543 3.406 20 30 FGEDMO C=CCn1c(C)nn(C[N@@H+](CCC)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1=S ZINC000740860107 722538516 /nfs/dbraw/zinc/53/85/16/722538516.db2.gz XXIQOFUDTIKBGQ-OAGGEKHMSA-N 1 1 350.532 3.392 20 30 FGEDMO C=CCn1c(C)nn(C[N@H+](CCC)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1=S ZINC000740860107 722538517 /nfs/dbraw/zinc/53/85/17/722538517.db2.gz XXIQOFUDTIKBGQ-OAGGEKHMSA-N 1 1 350.532 3.392 20 30 FGEDMO C#CC[N@H+](CCc1cnn(C)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000740877489 722538929 /nfs/dbraw/zinc/53/89/29/722538929.db2.gz QXXYWWUCEDJMEK-QGZVFWFLSA-N 1 1 374.282 3.184 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000746348193 722599409 /nfs/dbraw/zinc/59/94/09/722599409.db2.gz XQZOKECUPRYXHG-YOEHRIQHSA-N 1 1 352.400 3.413 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000746348193 722599411 /nfs/dbraw/zinc/59/94/11/722599411.db2.gz XQZOKECUPRYXHG-YOEHRIQHSA-N 1 1 352.400 3.413 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000754127469 722929572 /nfs/dbraw/zinc/92/95/72/722929572.db2.gz XTFPDRPIEDLHNC-WMZOPIPTSA-N 1 1 360.885 3.055 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000754127469 722929576 /nfs/dbraw/zinc/92/95/76/722929576.db2.gz XTFPDRPIEDLHNC-WMZOPIPTSA-N 1 1 360.885 3.055 20 30 FGEDMO C[C@H]1C[N@@H+](C2CC2)CC1=NNC(=S)Nc1ccccc1C(F)(F)F ZINC000755881225 722957963 /nfs/dbraw/zinc/95/79/63/722957963.db2.gz WBAKYGCLPCYEOG-JTQLQIEISA-N 1 1 356.417 3.462 20 30 FGEDMO C[C@H]1C[N@H+](C2CC2)CC1=NNC(=S)Nc1ccccc1C(F)(F)F ZINC000755881225 722957964 /nfs/dbraw/zinc/95/79/64/722957964.db2.gz WBAKYGCLPCYEOG-JTQLQIEISA-N 1 1 356.417 3.462 20 30 FGEDMO C#CCNC(=S)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000758233678 722986672 /nfs/dbraw/zinc/98/66/72/722986672.db2.gz KWZRDAPNQZBHIP-GDBMZVCRSA-N 1 1 369.456 3.186 20 30 FGEDMO C=CCC[N@H+](C)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790441546 723140618 /nfs/dbraw/zinc/14/06/18/723140618.db2.gz LFAYYYCEEPOCGD-UHFFFAOYSA-N 1 1 352.232 3.051 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000790697327 723168111 /nfs/dbraw/zinc/16/81/11/723168111.db2.gz IXVXXXMCLOCGIS-INIZCTEOSA-N 1 1 352.400 3.247 20 30 FGEDMO C#CCN(CC)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000763091565 723311411 /nfs/dbraw/zinc/31/14/11/723311411.db2.gz MHPIYESABXCVMA-RHSMWYFYSA-N 1 1 351.853 3.137 20 30 FGEDMO CC[N@@H+](CCc1ccccn1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000764315088 723406465 /nfs/dbraw/zinc/40/64/65/723406465.db2.gz LGCOCVFXHFMDCR-CQSZACIVSA-N 1 1 356.857 3.498 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000766530255 723578920 /nfs/dbraw/zinc/57/89/20/723578920.db2.gz XIGWYNYCSGBOND-VBQJREDUSA-N 1 1 352.400 3.411 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](C)c1ccccc1C(F)(F)F ZINC000766530255 723578923 /nfs/dbraw/zinc/57/89/23/723578923.db2.gz XIGWYNYCSGBOND-VBQJREDUSA-N 1 1 352.400 3.411 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NNC(=S)Nc1ccccn1 ZINC000767806461 723635128 /nfs/dbraw/zinc/63/51/28/723635128.db2.gz ZTQDIMKSDHHCOJ-HNNXBMFYSA-N 1 1 353.495 3.266 20 30 FGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000796612640 723646560 /nfs/dbraw/zinc/64/65/60/723646560.db2.gz IJDKORQCCOJWAN-ROUUACIJSA-N 1 1 351.535 3.358 20 30 FGEDMO CSCCNC(=S)NN=C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000769602296 723690469 /nfs/dbraw/zinc/69/04/69/723690469.db2.gz LTLLFWNWZOQNNC-UHFFFAOYSA-N 1 1 370.975 3.119 20 30 FGEDMO C=CCNC(=S)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000771847260 723743562 /nfs/dbraw/zinc/74/35/62/723743562.db2.gz GJRIYGNXDOKDJW-KRWDZBQOSA-N 1 1 355.511 3.111 20 30 FGEDMO C#CCNC(=O)[C@H](C)[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000799176082 723995023 /nfs/dbraw/zinc/99/50/23/723995023.db2.gz CPOXMUNQSYYQNO-ZDUSSCGKSA-N 1 1 356.363 3.104 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1c(C)c(C)sc1Br ZINC000799609636 724066813 /nfs/dbraw/zinc/06/68/13/724066813.db2.gz RLIXVGFGVPSBEO-LBPRGKRZSA-N 1 1 356.285 3.382 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1c(C)c(C)sc1Br ZINC000799609636 724066818 /nfs/dbraw/zinc/06/68/18/724066818.db2.gz RLIXVGFGVPSBEO-LBPRGKRZSA-N 1 1 356.285 3.382 20 30 FGEDMO C#CCNC(=S)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000776728405 724174844 /nfs/dbraw/zinc/17/48/44/724174844.db2.gz CYBSQXIYERHMCF-CVEARBPZSA-N 1 1 353.894 3.100 20 30 FGEDMO C#CCNC(=S)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000776728405 724174849 /nfs/dbraw/zinc/17/48/49/724174849.db2.gz CYBSQXIYERHMCF-CVEARBPZSA-N 1 1 353.894 3.100 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000801931255 724347136 /nfs/dbraw/zinc/34/71/36/724347136.db2.gz VNJIIRGHDZBATR-ZACQAIPSSA-N 1 1 351.491 3.169 20 30 FGEDMO C#CC[N@@H+](CCOCC(F)F)[C@H]1CCOc2ccc(Br)cc21 ZINC000787250337 725022252 /nfs/dbraw/zinc/02/22/52/725022252.db2.gz UDXYLEMMVDAUIM-AWEZNQCLSA-N 1 1 374.225 3.490 20 30 FGEDMO C#CC[N@H+](CCOCC(F)F)[C@H]1CCOc2ccc(Br)cc21 ZINC000787250337 725022255 /nfs/dbraw/zinc/02/22/55/725022255.db2.gz UDXYLEMMVDAUIM-AWEZNQCLSA-N 1 1 374.225 3.490 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805611097 725082449 /nfs/dbraw/zinc/08/24/49/725082449.db2.gz NCTHVDKJXFKVQV-HNNXBMFYSA-N 1 1 364.511 3.069 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000809967970 725279212 /nfs/dbraw/zinc/27/92/12/725279212.db2.gz XSUMESVRSAWODO-LJQANCHMSA-N 1 1 363.502 3.120 20 30 FGEDMO N#CCOc1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000810143264 725292380 /nfs/dbraw/zinc/29/23/80/725292380.db2.gz DFZYTGLBAJWDCH-UHFFFAOYSA-N 1 1 371.238 3.289 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)C1 ZINC000810555964 725314662 /nfs/dbraw/zinc/31/46/62/725314662.db2.gz VENNPGMBPMKTPL-BEFAXECRSA-N 1 1 350.409 3.264 20 30 FGEDMO C#C[C@H](C)N(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000812184641 725390100 /nfs/dbraw/zinc/39/01/00/725390100.db2.gz RRVQMHAPIDGLNO-DXCKQFNASA-N 1 1 351.853 3.135 20 30 FGEDMO C#CC[N@H+](C[C@H](O)C(C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC000814623970 726987818 /nfs/dbraw/zinc/98/78/18/726987818.db2.gz GWBHZHWFCCIILB-HOTGVXAUSA-N 1 1 352.272 3.225 20 30 FGEDMO C[C@H]1C(=NNC(=S)Nc2cccnc2)CCC[N@H+]1Cc1ccccc1 ZINC000814721068 726995055 /nfs/dbraw/zinc/99/50/55/726995055.db2.gz VTTJMWYGEIVWOJ-HNNXBMFYSA-N 1 1 353.495 3.409 20 30 FGEDMO C[C@H]1C(=NNC(=S)Nc2cccnc2)CCC[N@@H+]1Cc1ccccc1 ZINC000814721068 726995057 /nfs/dbraw/zinc/99/50/57/726995057.db2.gz VTTJMWYGEIVWOJ-HNNXBMFYSA-N 1 1 353.495 3.409 20 30 FGEDMO C[C@@H]1C(=NNC(=S)NCC(F)(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000814822450 727003716 /nfs/dbraw/zinc/00/37/16/727003716.db2.gz NQYMSKIDVZJASG-GFCCVEGCSA-N 1 1 358.433 3.053 20 30 FGEDMO C[C@@H]1C(=NNC(=S)NCC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814822450 727003720 /nfs/dbraw/zinc/00/37/20/727003720.db2.gz NQYMSKIDVZJASG-GFCCVEGCSA-N 1 1 358.433 3.053 20 30 FGEDMO C=CCC(F)(F)C(=O)N(Cc1ccc(O)cc1)C[C@H]1CCC[N@@H+]1CC ZINC000815875343 727103147 /nfs/dbraw/zinc/10/31/47/727103147.db2.gz RTQPOPGBFBEZCE-MRXNPFEDSA-N 1 1 352.425 3.417 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000819256619 727361994 /nfs/dbraw/zinc/36/19/94/727361994.db2.gz PDWLGILETCIASF-ZDUSSCGKSA-N 1 1 373.975 3.297 20 30 FGEDMO C#C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000820564671 729005150 /nfs/dbraw/zinc/00/51/50/729005150.db2.gz DMGFNAFYXZEEIC-APWZRJJASA-N 1 1 359.901 3.388 20 30 FGEDMO COC(=O)C1(C#N)CC[NH+](Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000826065574 729404147 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COC(=O)c1cccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1Cl ZINC000844367855 730708304 /nfs/dbraw/zinc/70/83/04/730708304.db2.gz CCWVYCLSSASUEM-KRWDZBQOSA-N 1 1 358.825 3.164 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844435428 730717799 /nfs/dbraw/zinc/71/77/99/730717799.db2.gz DDQKUBVGMMGKHH-FYRJDAGRSA-N 1 1 353.457 3.427 20 30 FGEDMO C=C(C)CONC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000845602582 730870389 /nfs/dbraw/zinc/87/03/89/730870389.db2.gz AJXASMHPHPHZGR-XJKSGUPXSA-N 1 1 355.841 3.279 20 30 FGEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nc1 ZINC000846103163 730929110 /nfs/dbraw/zinc/92/91/10/730929110.db2.gz YUAJFGDBVXVOPK-KRWDZBQOSA-N 1 1 353.491 3.027 20 30 FGEDMO C=CCCn1cc(C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)nn1 ZINC000846879289 730990432 /nfs/dbraw/zinc/99/04/32/730990432.db2.gz KXLXNFHOVMOLFX-UHFFFAOYSA-N 1 1 361.877 3.194 20 30 FGEDMO C#CC[N@H+](C[C@H](O)P(=O)(OCC)OCC)[C@H]1CCc2ccccc21 ZINC000851735648 731489106 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N#Cc1ccc(N2CC[NH+](Cc3cc4cc(Cl)cnc4o3)CC2)cn1 ZINC000862422944 732830803 /nfs/dbraw/zinc/83/08/03/732830803.db2.gz LRUZLIOEJVAOHF-UHFFFAOYSA-N 1 1 353.813 3.070 20 30 FGEDMO C#CC[C@H](CCOC)[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000862548367 732849676 /nfs/dbraw/zinc/84/96/76/732849676.db2.gz DMQGDJTWJBRWJM-OAHLLOKOSA-N 1 1 360.889 3.110 20 30 FGEDMO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cc(F)c(Br)cc1F ZINC000863104177 732914968 /nfs/dbraw/zinc/91/49/68/732914968.db2.gz WHWOAEBCEIOIHJ-KBPBESRZSA-N 1 1 371.229 3.311 20 30 FGEDMO C=C(Cl)C[C@H]1NC(=O)N(C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1=O ZINC000865301425 733176482 /nfs/dbraw/zinc/17/64/82/733176482.db2.gz LQTGQCHHRBETRX-UKRRQHHQSA-N 1 1 367.902 3.023 20 30 FGEDMO N#Cc1cc(C(F)(F)F)cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000865628775 733241227 /nfs/dbraw/zinc/24/12/27/733241227.db2.gz SVURVPYFMHYJFG-BLLLJJGKSA-N 1 1 350.388 3.425 20 30 FGEDMO C=CCn1c(-c2ccco2)nn(CN2CC[N@H+](C)C(C)(C)CC2)c1=S ZINC000872695575 735662118 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358.511 3.496 20 30 FGEDMO N#CCC1(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC000878921608 736933723 /nfs/dbraw/zinc/93/37/23/736933723.db2.gz VLTWAWUEYXKHME-LSDHHAIUSA-N 1 1 357.420 3.336 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCCCCNC(=O)CC2)c(OC(F)F)c1 ZINC000879254173 736973029 /nfs/dbraw/zinc/97/30/29/736973029.db2.gz ONMMLWHARZTAEP-UHFFFAOYSA-N 1 1 351.397 3.042 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879764979 737042982 /nfs/dbraw/zinc/04/29/82/737042982.db2.gz KYDIJKWIJMKCFY-KRWDZBQOSA-N 1 1 353.388 3.131 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879764979 737042984 /nfs/dbraw/zinc/04/29/84/737042984.db2.gz KYDIJKWIJMKCFY-KRWDZBQOSA-N 1 1 353.388 3.131 20 30 FGEDMO C=CCSCCNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000881132493 737291932 /nfs/dbraw/zinc/29/19/32/737291932.db2.gz NYCNJMALIMMNKU-SFHVURJKSA-N 1 1 360.527 3.012 20 30 FGEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 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N#Cc1ccc([C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CCO2)cc1 ZINC000897595618 742693829 /nfs/dbraw/zinc/69/38/29/742693829.db2.gz DKMHVGYHSFRMMJ-IBGZPJMESA-N 1 1 350.447 3.379 20 30 FGEDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cc(C#N)ccn1 ZINC000902927658 743789539 /nfs/dbraw/zinc/78/95/39/743789539.db2.gz RRPISGWEAIJVCR-BDJLRTHQSA-N 1 1 358.804 3.202 20 30 FGEDMO Cc1ccc(C#N)cc1C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000935794267 761944266 /nfs/dbraw/zinc/94/42/66/761944266.db2.gz OHPHDDDYFSVDCC-UHFFFAOYSA-N 1 1 357.841 3.197 20 30 FGEDMO Cc1ccc(C#N)cc1C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000935794267 761944267 /nfs/dbraw/zinc/94/42/67/761944267.db2.gz OHPHDDDYFSVDCC-UHFFFAOYSA-N 1 1 357.841 3.197 20 30 FGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C(C)(C)C1 ZINC000940753613 762159873 /nfs/dbraw/zinc/15/98/73/762159873.db2.gz NWJVYSZALGBTIP-ULQDDVLXSA-N 1 1 356.938 3.407 20 30 FGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C(C)(C)C1 ZINC000940753613 762159876 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494601944 /nfs/dbraw/zinc/60/19/44/494601944.db2.gz OUJKGTPZFDRCOE-FQEVSTJZSA-N 1 1 363.461 3.351 20 30 FGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000121115454 494601949 /nfs/dbraw/zinc/60/19/49/494601949.db2.gz OUJKGTPZFDRCOE-FQEVSTJZSA-N 1 1 363.461 3.351 20 30 FGEDMO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000121225119 494654586 /nfs/dbraw/zinc/65/45/86/494654586.db2.gz BDSWHILQOCQQHZ-INIZCTEOSA-N 1 1 356.495 3.343 20 30 FGEDMO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000121225119 494654593 /nfs/dbraw/zinc/65/45/93/494654593.db2.gz BDSWHILQOCQQHZ-INIZCTEOSA-N 1 1 356.495 3.343 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3cccs3)n2c1 ZINC000091890995 494713569 /nfs/dbraw/zinc/71/35/69/494713569.db2.gz UNQZSYKXKRSWLX-RDJZCZTQSA-N 1 1 352.463 3.356 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025308630 494719418 /nfs/dbraw/zinc/71/94/18/494719418.db2.gz KESSXGWXMAZEKE-TZIWHRDSSA-N 1 1 354.425 3.469 20 30 FGEDMO CCCC[N@@H+](CC(N)=O)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000091950462 494732350 /nfs/dbraw/zinc/73/23/50/494732350.db2.gz DERLNVJOTNTBNV-UHFFFAOYSA-N 1 1 351.450 3.225 20 30 FGEDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092010917 494753876 /nfs/dbraw/zinc/75/38/76/494753876.db2.gz GNRBMAISTMGSNU-QUCCMNQESA-N 1 1 368.481 3.048 20 30 FGEDMO N#Cc1ccnc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000025941472 494791182 /nfs/dbraw/zinc/79/11/82/494791182.db2.gz SERDWKCYRKKCHZ-UHFFFAOYSA-N 1 1 362.355 3.174 20 30 FGEDMO CC(C)C(=O)NCC[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092104356 494792437 /nfs/dbraw/zinc/79/24/37/494792437.db2.gz JEUDBNVJOAZWTN-UHFFFAOYSA-N 1 1 365.477 3.341 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126727856 494826864 /nfs/dbraw/zinc/82/68/64/494826864.db2.gz VFWRZKWIXLIAEV-UYAOXDASSA-N 1 1 369.509 3.410 20 30 FGEDMO N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000132198489 494837754 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C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OC ZINC000093646886 494908715 /nfs/dbraw/zinc/90/87/15/494908715.db2.gz LCNXJRBFHHPSKP-APWZRJJASA-N 1 1 367.511 3.048 20 30 FGEDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 ZINC000117344268 494912304 /nfs/dbraw/zinc/91/23/04/494912304.db2.gz PBRSHCLAOBYZQG-SFHVURJKSA-N 1 1 374.529 3.464 20 30 FGEDMO CNC(=O)CCC[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000093734094 494914975 /nfs/dbraw/zinc/91/49/75/494914975.db2.gz TXFIWKHLLQWHQW-UHFFFAOYSA-N 1 1 351.450 3.095 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109769653 494916487 /nfs/dbraw/zinc/91/64/87/494916487.db2.gz UQGPNBIWBJWJMH-INIZCTEOSA-N 1 1 367.449 3.168 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](OCCCc4ccccc4)C3)n2c1 ZINC000093842972 494926790 /nfs/dbraw/zinc/92/67/90/494926790.db2.gz HSRNXXQBTGITSU-NRFANRHFSA-N 1 1 360.461 3.430 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@H](OCCCc4ccccc4)C3)n2c1 ZINC000093842972 494926794 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N#Cc1ccc2ncc(CNCc3ccccc3C[NH+]3CCCCC3)n2c1 ZINC000123199860 495095719 /nfs/dbraw/zinc/09/57/19/495095719.db2.gz SOPZXBRDHKIMBT-UHFFFAOYSA-N 1 1 359.477 3.482 20 30 FGEDMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)ccc1C#N ZINC000571569291 505763288 /nfs/dbraw/zinc/76/32/88/505763288.db2.gz YJXWBRZXVUNJIN-PGRDOPGGSA-N 1 1 350.462 3.409 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](CO)C(C)(C)C)ccc1Cl ZINC000134382308 495141801 /nfs/dbraw/zinc/14/18/01/495141801.db2.gz LVELRIPERHZTNJ-QGZVFWFLSA-N 1 1 365.905 3.234 20 30 FGEDMO CC[N@@H+](CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C(C)C ZINC000102571568 495142261 /nfs/dbraw/zinc/14/22/61/495142261.db2.gz MRHIDBSMIXMARN-UHFFFAOYSA-N 1 1 372.391 3.351 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)ccc1OC ZINC000123639017 495165190 /nfs/dbraw/zinc/16/51/90/495165190.db2.gz OJKBXWIMJNNBGP-UHFFFAOYSA-N 1 1 360.498 3.340 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)ccc1OC ZINC000123639017 495165193 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FGEDMO COC(=O)c1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)oc1C ZINC000104715723 495299943 /nfs/dbraw/zinc/29/99/43/495299943.db2.gz MYWGWIZOCLIYAA-UHFFFAOYSA-N 1 1 354.406 3.290 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2OCC#N)[C@@H]1c1cccs1 ZINC000129955332 495319487 /nfs/dbraw/zinc/31/94/87/495319487.db2.gz SNBZPEWVDQWUSW-DNVCBOLYSA-N 1 1 369.490 3.463 20 30 FGEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114642646 495403298 /nfs/dbraw/zinc/40/32/98/495403298.db2.gz ABFOTVXCRQCMHB-XLIONFOSSA-N 1 1 363.461 3.106 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114644402 495403831 /nfs/dbraw/zinc/40/38/31/495403831.db2.gz INIQPSCANLYYIV-FXAWDEMLSA-N 1 1 363.461 3.106 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114689292 495409789 /nfs/dbraw/zinc/40/97/89/495409789.db2.gz HEOALAWHKSRMJK-GOSISDBHSA-N 1 1 363.461 3.209 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000130817373 495450371 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357.498 3.198 20 30 FGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248748308 497097775 /nfs/dbraw/zinc/09/77/75/497097775.db2.gz NXIOEAXUBQKWPV-MOPGFXCFSA-N 1 1 363.465 3.231 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000278399051 497100943 /nfs/dbraw/zinc/10/09/43/497100943.db2.gz FOTMHJKWAPRHIH-VQIMIIECSA-N 1 1 364.436 3.027 20 30 FGEDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000189444167 497119331 /nfs/dbraw/zinc/11/93/31/497119331.db2.gz GMNNMLXEOCTLGB-KRWDZBQOSA-N 1 1 365.525 3.409 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000270432234 497127042 /nfs/dbraw/zinc/12/70/42/497127042.db2.gz IKKJZVPOGPATFE-SFHVURJKSA-N 1 1 373.460 3.401 20 30 FGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278525566 497143279 /nfs/dbraw/zinc/14/32/79/497143279.db2.gz DGEKVDJJWGSXIT-FQEVSTJZSA-N 1 1 365.433 3.019 20 30 FGEDMO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249254248 497183732 /nfs/dbraw/zinc/18/37/32/497183732.db2.gz GATRNSUTLFMTDD-SVMVAKDDSA-N 1 1 374.525 3.141 20 30 FGEDMO C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249254248 497183735 /nfs/dbraw/zinc/18/37/35/497183735.db2.gz GATRNSUTLFMTDD-SVMVAKDDSA-N 1 1 374.525 3.141 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCCOC(C)C ZINC000265876245 497199371 /nfs/dbraw/zinc/19/93/71/497199371.db2.gz NMMKBPBCGGFLJS-QGZVFWFLSA-N 1 1 361.486 3.077 20 30 FGEDMO CC[N@H+]1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000265880513 497200252 /nfs/dbraw/zinc/20/02/52/497200252.db2.gz YKPRBZTWJZJTLO-MRXNPFEDSA-N 1 1 360.527 3.047 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000266049854 497241397 /nfs/dbraw/zinc/24/13/97/497241397.db2.gz YKBJKICQIMRDCL-SFHVURJKSA-N 1 1 355.482 3.214 20 30 FGEDMO Cc1cccc2nc(C3CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC3)oc21 ZINC000189813497 497253391 /nfs/dbraw/zinc/25/33/91/497253391.db2.gz HXKVHJIZXIFWTI-OAQYLSRUSA-N 1 1 368.481 3.370 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1OCCCC#N ZINC000271177768 497282794 /nfs/dbraw/zinc/28/27/94/497282794.db2.gz KVGDCMOZPHIAJM-WMLDXEAASA-N 1 1 372.387 3.265 20 30 FGEDMO CCCN(C(=O)c1ccnc(C#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000193060343 497290575 /nfs/dbraw/zinc/29/05/75/497290575.db2.gz GJLFSODIZKILAF-OAQYLSRUSA-N 1 1 362.477 3.470 20 30 FGEDMO C[C@@H](O)C[C@H]1COCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193122271 497307524 /nfs/dbraw/zinc/30/75/24/497307524.db2.gz FJIJCLZJOMZYGY-KNQAVFIVSA-N 1 1 364.489 3.358 20 30 FGEDMO C[C@@H](O)C[C@H]1COCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193122271 497307531 /nfs/dbraw/zinc/30/75/31/497307531.db2.gz FJIJCLZJOMZYGY-KNQAVFIVSA-N 1 1 364.489 3.358 20 30 FGEDMO C[C@H]1CCN(C(=O)c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000189984667 497315195 /nfs/dbraw/zinc/31/51/95/497315195.db2.gz VVJCWQXTCWQFDZ-INIZCTEOSA-N 1 1 351.425 3.434 20 30 FGEDMO COc1cc2nc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)[nH]c(=O)c2cc1OC ZINC000271652283 497409944 /nfs/dbraw/zinc/40/99/44/497409944.db2.gz JICKYMOWFFWHJN-LBPRGKRZSA-N 1 1 364.405 3.075 20 30 FGEDMO C=CCCCNC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000279415130 497433994 /nfs/dbraw/zinc/43/39/94/497433994.db2.gz XPBZACOVRFQVTI-UHFFFAOYSA-N 1 1 374.529 3.279 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266953110 497454728 /nfs/dbraw/zinc/45/47/28/497454728.db2.gz USJIRAONPUBLLM-JKSUJKDBSA-N 1 1 369.444 3.064 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266953110 497454731 /nfs/dbraw/zinc/45/47/31/497454731.db2.gz USJIRAONPUBLLM-JKSUJKDBSA-N 1 1 369.444 3.064 20 30 FGEDMO COc1cccc2c1CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CC2 ZINC000193728808 497461219 /nfs/dbraw/zinc/46/12/19/497461219.db2.gz VAZDSIASLGRBGB-UHFFFAOYSA-N 1 1 363.461 3.043 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000245619510 497476583 /nfs/dbraw/zinc/47/65/83/497476583.db2.gz NNISSXKCSRVPQD-RTBURBONSA-N 1 1 368.868 3.456 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000245619510 497476584 /nfs/dbraw/zinc/47/65/84/497476584.db2.gz NNISSXKCSRVPQD-RTBURBONSA-N 1 1 368.868 3.456 20 30 FGEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975758 497501241 /nfs/dbraw/zinc/50/12/41/497501241.db2.gz VMUXVZVULJTQSO-AQKFKSFVSA-N 1 1 367.468 3.231 20 30 FGEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975758 497501247 /nfs/dbraw/zinc/50/12/47/497501247.db2.gz VMUXVZVULJTQSO-AQKFKSFVSA-N 1 1 367.468 3.231 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]2(C)CCCO)c1C ZINC000272045521 497521023 /nfs/dbraw/zinc/52/10/23/497521023.db2.gz SDIUHXCBCZSZJN-NRFANRHFSA-N 1 1 357.498 3.177 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267406046 497543975 /nfs/dbraw/zinc/54/39/75/497543975.db2.gz GWZDOYHEOIBCOF-JKSUJKDBSA-N 1 1 358.511 3.254 20 30 FGEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](O)c2ccccc2C(F)(F)F)n1 ZINC000279826922 497554881 /nfs/dbraw/zinc/55/48/81/497554881.db2.gz ZFOPGBICGRISNK-QGZVFWFLSA-N 1 1 351.372 3.091 20 30 FGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)c2ccccc2C(F)(F)F)n1 ZINC000279826922 497554884 /nfs/dbraw/zinc/55/48/84/497554884.db2.gz ZFOPGBICGRISNK-QGZVFWFLSA-N 1 1 351.372 3.091 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)N2CCC(C)(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272425135 497625114 /nfs/dbraw/zinc/62/51/14/497625114.db2.gz DTQWFXFZQRYNHG-HKUYNNGSSA-N 1 1 354.498 3.375 20 30 FGEDMO C=CCN(CCOC)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000190900149 497637979 /nfs/dbraw/zinc/63/79/79/497637979.db2.gz UOLRVRPRAHXQIN-SFHVURJKSA-N 1 1 359.514 3.263 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@H]3CCCO3)sc2C1 ZINC000246189587 497654044 /nfs/dbraw/zinc/65/40/44/497654044.db2.gz WFZMOCPXVXXMAZ-UONOGXRCSA-N 1 1 361.511 3.184 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000246207867 497660093 /nfs/dbraw/zinc/66/00/93/497660093.db2.gz NKVZDPDHAKLKKL-CABCVRRESA-N 1 1 374.554 3.099 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194426561 497662401 /nfs/dbraw/zinc/66/24/01/497662401.db2.gz CGGRVYBZUKGSCR-OAQYLSRUSA-N 1 1 362.477 3.222 20 30 FGEDMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000277048141 497725940 /nfs/dbraw/zinc/72/59/40/497725940.db2.gz CFQUEMYBPQWUNA-UHFFFAOYSA-N 1 1 367.497 3.104 20 30 FGEDMO Cc1sc(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C#N)c1C ZINC000246420454 497728159 /nfs/dbraw/zinc/72/81/59/497728159.db2.gz CACNCTZWUOCMHE-YJBOKZPZSA-N 1 1 372.538 3.124 20 30 FGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246521277 497761149 /nfs/dbraw/zinc/76/11/49/497761149.db2.gz PHIGJAMUXWJLKM-KDOFPFPSSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000246521277 497761152 /nfs/dbraw/zinc/76/11/52/497761152.db2.gz PHIGJAMUXWJLKM-KDOFPFPSSA-N 1 1 355.463 3.410 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000273086259 497797142 /nfs/dbraw/zinc/79/71/42/497797142.db2.gz IMHMQFQXJMYSPU-HXUWFJFHSA-N 1 1 369.440 3.012 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1C ZINC000246829045 497814569 /nfs/dbraw/zinc/81/45/69/497814569.db2.gz SLEPCHQUFJCARA-ICSRJNTNSA-N 1 1 355.482 3.051 20 30 FGEDMO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1OCCCC#N ZINC000280601473 497822144 /nfs/dbraw/zinc/82/21/44/497822144.db2.gz YFJVXKSRBZWWDH-FIKGOQFSSA-N 1 1 374.481 3.146 20 30 FGEDMO COc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1OCCCC#N ZINC000280601473 497822147 /nfs/dbraw/zinc/82/21/47/497822147.db2.gz YFJVXKSRBZWWDH-FIKGOQFSSA-N 1 1 374.481 3.146 20 30 FGEDMO CC(C)(C)[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000280615349 497826797 /nfs/dbraw/zinc/82/67/97/497826797.db2.gz ZHYNGOKWCZVAEO-SFHVURJKSA-N 1 1 353.470 3.106 20 30 FGEDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCO1 ZINC000280615349 497826799 /nfs/dbraw/zinc/82/67/99/497826799.db2.gz ZHYNGOKWCZVAEO-SFHVURJKSA-N 1 1 353.470 3.106 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000329565727 497831734 /nfs/dbraw/zinc/83/17/34/497831734.db2.gz SPQGMOJDXPDKFZ-RCLSDMTESA-N 1 1 365.562 3.426 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](c4ccncc4)C3)C2=O)cc1 ZINC000329593741 497839692 /nfs/dbraw/zinc/83/96/92/497839692.db2.gz OMDIRPJZHIEIHW-PZJWPPBQSA-N 1 1 360.461 3.328 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)C1 ZINC000329616063 497846286 /nfs/dbraw/zinc/84/62/86/497846286.db2.gz PSQWMLQTJFSYCH-ZBFHGGJFSA-N 1 1 367.925 3.208 20 30 FGEDMO C[C@@H]1CCC[N@@H+](C(C)(C)C[NH+]=C([O-])N2CC[C@H](n3cc(Cl)cn3)C2)C1 ZINC000329616063 497846290 /nfs/dbraw/zinc/84/62/90/497846290.db2.gz PSQWMLQTJFSYCH-ZBFHGGJFSA-N 1 1 367.925 3.208 20 30 FGEDMO 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Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CSc3ccccc32)CC1 ZINC000329659681 497860347 /nfs/dbraw/zinc/86/03/47/497860347.db2.gz OEBWVNKITIKAFY-INIZCTEOSA-N 1 1 356.495 3.436 20 30 FGEDMO CCn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C1CCOCC1 ZINC000284668447 497861203 /nfs/dbraw/zinc/86/12/03/497861203.db2.gz HKOLSLDKPVQUIW-LJQANCHMSA-N 1 1 354.454 3.041 20 30 FGEDMO C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000329668341 497863053 /nfs/dbraw/zinc/86/30/53/497863053.db2.gz LTHBYCSPYJKMJM-BRWVUGGUSA-N 1 1 374.481 3.062 20 30 FGEDMO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCCc2occc2C1 ZINC000329671305 497863341 /nfs/dbraw/zinc/86/33/41/497863341.db2.gz UBGYDDPRLICXRO-ZBFHGGJFSA-N 1 1 356.422 3.213 20 30 FGEDMO C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCCc2occc2C1 ZINC000329671305 497863351 /nfs/dbraw/zinc/86/33/51/497863351.db2.gz UBGYDDPRLICXRO-ZBFHGGJFSA-N 1 1 356.422 3.213 20 30 FGEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)sc2C1 ZINC000329680041 497867936 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/nfs/dbraw/zinc/27/84/74/498278474.db2.gz YYHTVJWZMOHXKQ-CTNGQTDRSA-N 1 1 362.477 3.492 20 30 FGEDMO CCc1cc(C)cc(CC)c1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000331241633 498282146 /nfs/dbraw/zinc/28/21/46/498282146.db2.gz MZZSDQGDMDOXDT-INIZCTEOSA-N 1 1 361.530 3.442 20 30 FGEDMO Cc1cc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(C#N)cc1N(C)C ZINC000331243565 498284194 /nfs/dbraw/zinc/28/41/94/498284194.db2.gz PKGGIUDIMYRKAN-QGZVFWFLSA-N 1 1 357.502 3.271 20 30 FGEDMO CN1Cc2ccccc2[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000360790553 498308063 /nfs/dbraw/zinc/30/80/63/498308063.db2.gz BGQGSNFVZBNGIB-QHCPKHFHSA-N 1 1 360.505 3.299 20 30 FGEDMO Cc1ccn(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000365124634 498309242 /nfs/dbraw/zinc/30/92/42/498309242.db2.gz KQPKKOCBBISUFT-CQSZACIVSA-N 1 1 371.872 3.381 20 30 FGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1cccc(OC)c1 ZINC000281987482 498345764 /nfs/dbraw/zinc/34/57/64/498345764.db2.gz MMZASOKCYGSCND-UHFFFAOYSA-N 1 1 359.470 3.056 20 30 FGEDMO C=CCN1CCC([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000282002795 498352982 /nfs/dbraw/zinc/35/29/82/498352982.db2.gz MFPOBQHJCJNFPK-UHFFFAOYSA-N 1 1 352.504 3.230 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@@]3(CCC[C@H]3NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000365234610 498365339 /nfs/dbraw/zinc/36/53/39/498365339.db2.gz OPWXPEQSJSPXGA-XLIONFOSSA-N 1 1 358.486 3.166 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)cn2C)[C@H]1c1ccc(F)c(F)c1 ZINC000331548691 498368539 /nfs/dbraw/zinc/36/85/39/498368539.db2.gz NXTHAKRKDCGGJZ-IEBWSBKVSA-N 1 1 372.419 3.129 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cn2C)[C@H]1c1ccc(F)c(F)c1 ZINC000331548691 498368546 /nfs/dbraw/zinc/36/85/46/498368546.db2.gz NXTHAKRKDCGGJZ-IEBWSBKVSA-N 1 1 372.419 3.129 20 30 FGEDMO CCc1ccc(C(=O)N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000282101197 498384688 /nfs/dbraw/zinc/38/46/88/498384688.db2.gz WAFYJDKAIDQHCZ-UHFFFAOYSA-N 1 1 369.509 3.107 20 30 FGEDMO CCc1cc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)nc(C)[nH+]1 ZINC000302049404 498385985 /nfs/dbraw/zinc/38/59/85/498385985.db2.gz MYRQKNRITVXEIF-UHFFFAOYSA-N 1 1 358.449 3.094 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)[N@H+](C)[C@@H](C)C3)sc2C1 ZINC000293454389 498390394 /nfs/dbraw/zinc/39/03/94/498390394.db2.gz PQIRFFUXPZLBRJ-KFWWJZLASA-N 1 1 374.554 3.098 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H](C)N(C)[C@@H](C)C3)sc2C1 ZINC000293454389 498390396 /nfs/dbraw/zinc/39/03/96/498390396.db2.gz PQIRFFUXPZLBRJ-KFWWJZLASA-N 1 1 374.554 3.098 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)N(C)[C@@H](C)C3)sc2C1 ZINC000293454389 498390399 /nfs/dbraw/zinc/39/03/99/498390399.db2.gz PQIRFFUXPZLBRJ-KFWWJZLASA-N 1 1 374.554 3.098 20 30 FGEDMO Cc1nc(C[NH+]2CCC(CNc3nc4ccccn4c3C#N)CC2)cs1 ZINC000302079287 498396932 /nfs/dbraw/zinc/39/69/32/498396932.db2.gz ILZYMVVYOWDGFA-UHFFFAOYSA-N 1 1 366.494 3.295 20 30 FGEDMO C=CCN(C(=O)c1ccnc(F)c1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365314490 498401906 /nfs/dbraw/zinc/40/19/06/498401906.db2.gz GAXSMPQBCONPSH-INIZCTEOSA-N 1 1 357.404 3.263 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331657465 498411067 /nfs/dbraw/zinc/41/10/67/498411067.db2.gz XSEDXSJWONUPDJ-XEGUMIITSA-N 1 1 355.482 3.147 20 30 FGEDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000361666836 498417672 /nfs/dbraw/zinc/41/76/72/498417672.db2.gz KVUBKGHTNIFCKK-WMZOPIPTSA-N 1 1 365.481 3.370 20 30 FGEDMO N#Cc1cc(Br)cnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000297415478 498440790 /nfs/dbraw/zinc/44/07/90/498440790.db2.gz GTYRVRUXZKCASA-BLLLJJGKSA-N 1 1 361.287 3.169 20 30 FGEDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2cc(C#N)ccc2n1 ZINC000302440515 498485833 /nfs/dbraw/zinc/48/58/33/498485833.db2.gz MWNDNGUNMZFDRM-HSZRJFAPSA-N 1 1 372.472 3.180 20 30 FGEDMO Cc1[nH+]c(CNC(=O)N[C@H](CCC#N)c2ccccc2)c2n1CCCC2 ZINC000362274882 498486282 /nfs/dbraw/zinc/48/62/82/498486282.db2.gz ZIHRQRPCLVEYNE-QGZVFWFLSA-N 1 1 351.454 3.372 20 30 FGEDMO C[C@@]1(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000581709478 506049669 /nfs/dbraw/zinc/04/96/69/506049669.db2.gz STEMOTIBQSNKPA-CUWPLCDZSA-N 1 1 354.498 3.423 20 30 FGEDMO CC(C)c1nccc(C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000362725056 498543878 /nfs/dbraw/zinc/54/38/78/498543878.db2.gz MDQKGRHDSXLNOG-UHFFFAOYSA-N 1 1 363.465 3.290 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)Nc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000569973670 506059628 /nfs/dbraw/zinc/05/96/28/506059628.db2.gz LGASGIUXENCTNS-LIRRHRJNSA-N 1 1 352.413 3.482 20 30 FGEDMO C=CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc1 ZINC000302839913 498596826 /nfs/dbraw/zinc/59/68/26/498596826.db2.gz ZRYABJDHNFSBQC-IEBWSBKVSA-N 1 1 372.419 3.133 20 30 FGEDMO C=CCNC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)nc1 ZINC000302839913 498596834 /nfs/dbraw/zinc/59/68/34/498596834.db2.gz ZRYABJDHNFSBQC-IEBWSBKVSA-N 1 1 372.419 3.133 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)ccc1OC ZINC000290599391 498614448 /nfs/dbraw/zinc/61/44/48/498614448.db2.gz VVSJZTKYERAUMO-SFHVURJKSA-N 1 1 358.482 3.094 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1C ZINC000365730995 498616601 /nfs/dbraw/zinc/61/66/01/498616601.db2.gz JREWZDFMDHOZFI-DUXKGJEZSA-N 1 1 369.509 3.295 20 30 FGEDMO N#Cc1ccc(CCC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000365743696 498621468 /nfs/dbraw/zinc/62/14/68/498621468.db2.gz LGGXFWPUOPHOMY-GOTSBHOMSA-N 1 1 373.500 3.471 20 30 FGEDMO C[N@H+](CCc1ccc(Br)cc1)CC(=O)Nc1cccc(C#N)c1 ZINC000303356156 498667821 /nfs/dbraw/zinc/66/78/21/498667821.db2.gz ZNSZWFBRFGJVTI-UHFFFAOYSA-N 1 1 372.266 3.434 20 30 FGEDMO C[N@@H+](CCc1ccc(Br)cc1)CC(=O)Nc1cccc(C#N)c1 ZINC000303356156 498667828 /nfs/dbraw/zinc/66/78/28/498667828.db2.gz ZNSZWFBRFGJVTI-UHFFFAOYSA-N 1 1 372.266 3.434 20 30 FGEDMO Cc1ccc(C[C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000303649952 498701689 /nfs/dbraw/zinc/70/16/89/498701689.db2.gz UDIBWDHQRFNTFW-NHCUHLMSSA-N 1 1 350.462 3.314 20 30 FGEDMO N#Cc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)cc1 ZINC000363208051 498704631 /nfs/dbraw/zinc/70/46/31/498704631.db2.gz PIOQRPHZXSULMT-UHFFFAOYSA-N 1 1 365.452 3.364 20 30 FGEDMO N#Cc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)cc1 ZINC000363208051 498704636 /nfs/dbraw/zinc/70/46/36/498704636.db2.gz PIOQRPHZXSULMT-UHFFFAOYSA-N 1 1 365.452 3.364 20 30 FGEDMO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000365932841 498705800 /nfs/dbraw/zinc/70/58/00/498705800.db2.gz XYTWHLCDPNHDND-MRXNPFEDSA-N 1 1 367.428 3.126 20 30 FGEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000570047935 506078316 /nfs/dbraw/zinc/07/83/16/506078316.db2.gz ABFGNSMHFJZBON-UHFFFAOYSA-N 1 1 362.389 3.382 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)Nc3cccc(C#N)c3)[C@H](C)C2)s1 ZINC000363249141 498726134 /nfs/dbraw/zinc/72/61/34/498726134.db2.gz SPLFJYFWYKBMLJ-FZKQIMNGSA-N 1 1 369.494 3.355 20 30 FGEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(F)(c4ccccn4)CC3)C2=O)cc1 ZINC000298443574 498773240 /nfs/dbraw/zinc/77/32/40/498773240.db2.gz GZKVDQOOJUXOED-GOSISDBHSA-N 1 1 364.424 3.019 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccc(Cl)c1 ZINC000363360020 498779488 /nfs/dbraw/zinc/77/94/88/498779488.db2.gz BJDHWFCZDFWCIH-YJBOKZPZSA-N 1 1 356.857 3.353 20 30 FGEDMO C=CCc1cc(C[N@H+](CCNC(C)=O)Cc2ccsc2)cc(OC)c1O ZINC000283128942 498790191 /nfs/dbraw/zinc/79/01/91/498790191.db2.gz VWWZAZUHJZEAJA-UHFFFAOYSA-N 1 1 374.506 3.329 20 30 FGEDMO C=CCc1cc(C[N@@H+](CCNC(C)=O)Cc2ccsc2)cc(OC)c1O ZINC000283128942 498790194 /nfs/dbraw/zinc/79/01/94/498790194.db2.gz VWWZAZUHJZEAJA-UHFFFAOYSA-N 1 1 374.506 3.329 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2scc(C)c2C#N)[C@@H](C)C1 ZINC000570104755 506092180 /nfs/dbraw/zinc/09/21/80/506092180.db2.gz OSKJSHRJLLIOCN-BBRMVZONSA-N 1 1 364.515 3.187 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(C(F)F)CCCC3)CC2)cc1 ZINC000570108661 506092215 /nfs/dbraw/zinc/09/22/15/506092215.db2.gz VRWYZRDEBOAGMH-UHFFFAOYSA-N 1 1 361.436 3.418 20 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CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000451563709 501325423 /nfs/dbraw/zinc/32/54/23/501325423.db2.gz KCUDSHRMBJDGBN-CMKODMSKSA-N 1 1 357.498 3.295 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000451655636 501345105 /nfs/dbraw/zinc/34/51/05/501345105.db2.gz YSAFGGNXTIFUHF-KURKYZTESA-N 1 1 350.890 3.430 20 30 FGEDMO Cc1ccc(N2CCC(NC(=O)Nc3cnc(C#N)c(Cl)c3)CC2)[nH+]c1 ZINC000455792326 501386931 /nfs/dbraw/zinc/38/69/31/501386931.db2.gz RBFLJSHBHVZIJJ-UHFFFAOYSA-N 1 1 370.844 3.101 20 30 FGEDMO CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000455790406 501386985 /nfs/dbraw/zinc/38/69/85/501386985.db2.gz HYOVQZFHRVPMFL-SJORKVTESA-N 1 1 356.470 3.484 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451894212 501394467 /nfs/dbraw/zinc/39/44/67/501394467.db2.gz CRAONULHFDKYIG-OXJNMPFZSA-N 1 1 373.522 3.379 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451894212 501394469 /nfs/dbraw/zinc/39/44/69/501394469.db2.gz CRAONULHFDKYIG-OXJNMPFZSA-N 1 1 373.522 3.379 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@]4(CCSC4)C3)C2=O)cc1 ZINC000451977319 501412224 /nfs/dbraw/zinc/41/22/24/501412224.db2.gz NGEWUVDPQDICDR-QUCCMNQESA-N 1 1 355.507 3.273 20 30 FGEDMO N#CCc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000455916512 501414859 /nfs/dbraw/zinc/41/48/59/501414859.db2.gz INXHYUWPJYTWHR-HXUWFJFHSA-N 1 1 362.477 3.439 20 30 FGEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)C[C@H](O)COc3ccc(C#N)cc3)C2)c1 ZINC000452016999 501419454 /nfs/dbraw/zinc/41/94/54/501419454.db2.gz MQJXPFRXGZWUBB-UFYCRDLUSA-N 1 1 366.461 3.185 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000452113957 501438032 /nfs/dbraw/zinc/43/80/32/501438032.db2.gz JBEHZISZBJEPCM-QGZVFWFLSA-N 1 1 352.482 3.152 20 30 FGEDMO C=CCC[C@@H](NC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1)c1ccccc1 ZINC000458563504 501475307 /nfs/dbraw/zinc/47/53/07/501475307.db2.gz DSQXJSXROCVCBZ-HXUWFJFHSA-N 1 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FGEDMO CC(C)[C@H](C#N)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000464313896 501951680 /nfs/dbraw/zinc/95/16/80/501951680.db2.gz UVQWMVXZIMJUNA-DOTOQJQBSA-N 1 1 353.388 3.105 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000464347503 501962155 /nfs/dbraw/zinc/96/21/55/501962155.db2.gz ZNKCNQSYMOYZCE-FPOVZHCZSA-N 1 1 369.509 3.342 20 30 FGEDMO C[N@H+]1C[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@H](c2ccccc2)C1 ZINC000592879742 506288270 /nfs/dbraw/zinc/28/82/70/506288270.db2.gz BZTXYHCADBJSAT-AEFFLSMTSA-N 1 1 353.853 3.287 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000475058590 502040346 /nfs/dbraw/zinc/04/03/46/502040346.db2.gz ZQIHQGRYFUPIKI-UTKZUKDTSA-N 1 1 362.477 3.268 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000464763337 502085048 /nfs/dbraw/zinc/08/50/48/502085048.db2.gz BBNGNPMOPRGWGX-LJQANCHMSA-N 1 1 365.502 3.289 20 30 FGEDMO C=C(C)CN(CC)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000486320159 502121798 /nfs/dbraw/zinc/12/17/98/502121798.db2.gz UAWNGOVGBXSHPL-UHFFFAOYSA-N 1 1 364.921 3.070 20 30 FGEDMO N#C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000479317693 502223585 /nfs/dbraw/zinc/22/35/85/502223585.db2.gz RZIOHKYHZZRETF-ICSRJNTNSA-N 1 1 351.425 3.419 20 30 FGEDMO C[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000461903554 502230291 /nfs/dbraw/zinc/23/02/91/502230291.db2.gz VAGYDVUXXVGZNF-HUUCEWRRSA-N 1 1 353.491 3.286 20 30 FGEDMO C[C@H](CNC(=O)[C@H](C)c1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000461903554 502230292 /nfs/dbraw/zinc/23/02/92/502230292.db2.gz VAGYDVUXXVGZNF-HUUCEWRRSA-N 1 1 353.491 3.286 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@](C)(O)C2)ccc1OCc1cccc(C#N)c1 ZINC000483056387 502258869 /nfs/dbraw/zinc/25/88/69/502258869.db2.gz KONRTEFGUZDOQZ-NRFANRHFSA-N 1 1 352.434 3.103 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000475728532 502268619 /nfs/dbraw/zinc/26/86/19/502268619.db2.gz UCBJMZMQPRXZEW-HXUWFJFHSA-N 1 1 351.450 3.076 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465539199 502298783 /nfs/dbraw/zinc/29/87/83/502298783.db2.gz JBTCHRBCEVQPFU-HOJAQTOUSA-N 1 1 354.498 3.200 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCOc1ccccc1C(C)(C)C ZINC000483318730 502350083 /nfs/dbraw/zinc/35/00/83/502350083.db2.gz ZESTWIFYIBKGDC-MRXNPFEDSA-N 1 1 357.498 3.246 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCOc1ccccc1C(C)(C)C ZINC000483318730 502350091 /nfs/dbraw/zinc/35/00/91/502350091.db2.gz ZESTWIFYIBKGDC-MRXNPFEDSA-N 1 1 357.498 3.246 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000462269935 502374931 /nfs/dbraw/zinc/37/49/31/502374931.db2.gz MYCGSEAMFADVTC-KUHUBIRLSA-N 1 1 352.413 3.339 20 30 FGEDMO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000472581167 502391107 /nfs/dbraw/zinc/39/11/07/502391107.db2.gz NWQRVGFGLSBNHX-OAQYLSRUSA-N 1 1 361.489 3.343 20 30 FGEDMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000472581167 502391114 /nfs/dbraw/zinc/39/11/14/502391114.db2.gz NWQRVGFGLSBNHX-OAQYLSRUSA-N 1 1 361.489 3.343 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(C(F)F)CC1 ZINC000483517651 502418478 /nfs/dbraw/zinc/41/84/78/502418478.db2.gz UKVSCUFVZNCWRR-CQSZACIVSA-N 1 1 365.424 3.307 20 30 FGEDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469458476 502425177 /nfs/dbraw/zinc/42/51/77/502425177.db2.gz FZZXTOMHZXLLDT-APWZRJJASA-N 1 1 352.482 3.357 20 30 FGEDMO COc1cccc(OCC[NH+]2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000483543205 502426034 /nfs/dbraw/zinc/42/60/34/502426034.db2.gz LAEYFSPATLKJDH-SFHVURJKSA-N 1 1 365.477 3.324 20 30 FGEDMO COc1cccc(OCCN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000483543205 502426039 /nfs/dbraw/zinc/42/60/39/502426039.db2.gz LAEYFSPATLKJDH-SFHVURJKSA-N 1 1 365.477 3.324 20 30 FGEDMO C[C@@H](CCC#N)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000472772286 502437184 /nfs/dbraw/zinc/43/71/84/502437184.db2.gz UMDTXQWGHXLNDN-AWEZNQCLSA-N 1 1 359.861 3.200 20 30 FGEDMO COc1cccc(C2=CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000476296621 502447071 /nfs/dbraw/zinc/44/70/71/502447071.db2.gz WSCPSBJSHZAUJS-IIBYNOLFSA-N 1 1 355.482 3.227 20 30 FGEDMO COc1cccc(C2=CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000476296621 502447076 /nfs/dbraw/zinc/44/70/76/502447076.db2.gz WSCPSBJSHZAUJS-IIBYNOLFSA-N 1 1 355.482 3.227 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 ZINC000462480048 502456611 /nfs/dbraw/zinc/45/66/11/502456611.db2.gz OYFQKVXCIHVGGF-UHFFFAOYSA-N 1 1 372.513 3.220 20 30 FGEDMO CCOc1ccccc1C[N@@H+]1CCN(c2ccc(C#N)c(C)n2)[C@@H](C)C1 ZINC000487742553 502519832 /nfs/dbraw/zinc/51/98/32/502519832.db2.gz UXOFQRMRDHQZCM-INIZCTEOSA-N 1 1 350.466 3.371 20 30 FGEDMO CCOc1ccccc1C[N@H+]1CCN(c2ccc(C#N)c(C)n2)[C@@H](C)C1 ZINC000487742553 502519838 /nfs/dbraw/zinc/51/98/38/502519838.db2.gz UXOFQRMRDHQZCM-INIZCTEOSA-N 1 1 350.466 3.371 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)CC[N@@H+](C)C2CC2)c1C#N ZINC000473111349 502520769 /nfs/dbraw/zinc/52/07/69/502520769.db2.gz KCQQNTKSOODVOU-UHFFFAOYSA-N 1 1 371.529 3.056 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCC#Cc1ccccc1)C1CC1 ZINC000476723180 502572606 /nfs/dbraw/zinc/57/26/06/502572606.db2.gz VMTZIWSZFWVYGP-JOCHJYFZSA-N 1 1 361.489 3.248 20 30 FGEDMO COC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n(C)c1C ZINC000462903949 502620574 /nfs/dbraw/zinc/62/05/74/502620574.db2.gz UFZIFRIJVUGYSP-UHFFFAOYSA-N 1 1 367.449 3.035 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477050292 502661325 /nfs/dbraw/zinc/66/13/25/502661325.db2.gz LZQWUZIUZOZCCV-AUUYWEPGSA-N 1 1 361.873 3.431 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000466778878 502674921 /nfs/dbraw/zinc/67/49/21/502674921.db2.gz QZGSIQWTUOSWQH-JXFKEZNVSA-N 1 1 354.498 3.209 20 30 FGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)CC(=O)NCc1ccc(F)cc1 ZINC000477138942 502687847 /nfs/dbraw/zinc/68/78/47/502687847.db2.gz PNOHOBOHKCDUOT-UHFFFAOYSA-N 1 1 369.440 3.105 20 30 FGEDMO N#Cc1cnc2c(Cl)cccc2c1N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000596248022 506328509 /nfs/dbraw/zinc/32/85/09/506328509.db2.gz VMDHCPUVTBOFPQ-HNNXBMFYSA-N 1 1 356.857 3.061 20 30 FGEDMO C=CC[N@@H+](CCOC)CCc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3 ZINC000484677708 502704761 /nfs/dbraw/zinc/70/47/61/502704761.db2.gz JBXIDTOHYRBDKM-CYBMUJFWSA-N 1 1 360.527 3.075 20 30 FGEDMO CCC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC(C)(C)O ZINC000470364222 502751076 /nfs/dbraw/zinc/75/10/76/502751076.db2.gz SGGRKRLZDJMHHV-UHFFFAOYSA-N 1 1 365.905 3.378 20 30 FGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000484939095 502783840 /nfs/dbraw/zinc/78/38/40/502783840.db2.gz RKVGWUKFLXKVFE-IXDOHACOSA-N 1 1 354.498 3.213 20 30 FGEDMO C=C(C)CS(=O)(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000477514256 502794216 /nfs/dbraw/zinc/79/42/16/502794216.db2.gz DSTNGRHGXGROBC-CALCHBBNSA-N 1 1 350.528 3.160 20 30 FGEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)C1 ZINC000488750256 502802746 /nfs/dbraw/zinc/80/27/46/502802746.db2.gz KLUGGWCVVPARHF-NJSLBKSFSA-N 1 1 365.437 3.181 20 30 FGEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463437314 502803862 /nfs/dbraw/zinc/80/38/62/502803862.db2.gz PDYQTXYEACMZHA-JOCHJYFZSA-N 1 1 350.462 3.254 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000495440515 502838853 /nfs/dbraw/zinc/83/88/53/502838853.db2.gz UCASQTSYEMOYSL-GOSISDBHSA-N 1 1 364.449 3.353 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000489019606 502861531 /nfs/dbraw/zinc/86/15/31/502861531.db2.gz IGFWTBMBFJNYGH-IBGZPJMESA-N 1 1 366.527 3.108 20 30 FGEDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000513178204 502869946 /nfs/dbraw/zinc/86/99/46/502869946.db2.gz MDYBPGOQSMOLOD-QGZVFWFLSA-N 1 1 352.400 3.438 20 30 FGEDMO CC[C@@H](CNC(=O)Cc1c(F)cccc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000505349400 502892908 /nfs/dbraw/zinc/89/29/08/502892908.db2.gz KRHUGVVRXRCKAS-IBGZPJMESA-N 1 1 365.452 3.193 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500994573 502908371 /nfs/dbraw/zinc/90/83/71/502908371.db2.gz FRONCCSLPAOCBA-BBWFWOEESA-N 1 1 357.498 3.198 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2cccc(C#N)c2[N+](=O)[O-])cc1 ZINC000599140429 506341647 /nfs/dbraw/zinc/34/16/47/506341647.db2.gz SFTLEZWXEHIMHH-INIZCTEOSA-N 1 1 352.394 3.161 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2cccc(C#N)c2[N+](=O)[O-])cc1 ZINC000599140429 506341656 /nfs/dbraw/zinc/34/16/56/506341656.db2.gz SFTLEZWXEHIMHH-INIZCTEOSA-N 1 1 352.394 3.161 20 30 FGEDMO CCOc1cc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)ccc1OC ZINC000509523379 502925205 /nfs/dbraw/zinc/92/52/05/502925205.db2.gz FTZOKRIXWODGLI-UHFFFAOYSA-N 1 1 369.440 3.427 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC#Cc1ccccc1 ZINC000489401388 502948553 /nfs/dbraw/zinc/94/85/53/502948553.db2.gz WRRAABMFVUHOOG-KNQAVFIVSA-N 1 1 361.489 3.248 20 30 FGEDMO N#Cc1ccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000501200786 502958249 /nfs/dbraw/zinc/95/82/49/502958249.db2.gz QGWGWPGIGGWJMC-UHFFFAOYSA-N 1 1 354.841 3.391 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602904172 506344477 /nfs/dbraw/zinc/34/44/77/506344477.db2.gz MWGBQPNQDVQLKA-HNNXBMFYSA-N 1 1 358.461 3.131 20 30 FGEDMO C=CCOc1ccc(C(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)cc1 ZINC000497665643 503010327 /nfs/dbraw/zinc/01/03/27/503010327.db2.gz HPPBZHNOWZPTJN-HXUWFJFHSA-N 1 1 360.498 3.118 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3cnc4ccc(Cl)cn34)CC2)cc1 ZINC000506085604 503044654 /nfs/dbraw/zinc/04/46/54/503044654.db2.gz MFMCKXUNJQRREM-UHFFFAOYSA-N 1 1 365.868 3.177 20 30 FGEDMO CCN(CC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000599154844 506350090 /nfs/dbraw/zinc/35/00/90/506350090.db2.gz MXVJNISBFSHQDR-QZTJIDSGSA-N 1 1 353.491 3.336 20 30 FGEDMO CCCCOc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1 ZINC000506246498 503077343 /nfs/dbraw/zinc/07/73/43/503077343.db2.gz GGYUYLRDFHHOAE-UHFFFAOYSA-N 1 1 350.466 3.454 20 30 FGEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000502470695 503204935 /nfs/dbraw/zinc/20/49/35/503204935.db2.gz UNEDIEZXRSJGER-QGZVFWFLSA-N 1 1 368.477 3.397 20 30 FGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000502470695 503204938 /nfs/dbraw/zinc/20/49/38/503204938.db2.gz UNEDIEZXRSJGER-QGZVFWFLSA-N 1 1 368.477 3.397 20 30 FGEDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H]1C ZINC000498548559 503206101 /nfs/dbraw/zinc/20/61/01/503206101.db2.gz AUIRFXWAALHAOY-HOTGVXAUSA-N 1 1 367.449 3.285 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H]1C ZINC000498548559 503206104 /nfs/dbraw/zinc/20/61/04/503206104.db2.gz AUIRFXWAALHAOY-HOTGVXAUSA-N 1 1 367.449 3.285 20 30 FGEDMO CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000490672420 503212082 /nfs/dbraw/zinc/21/20/82/503212082.db2.gz NTVIXNKJTXSADF-UHFFFAOYSA-N 1 1 373.497 3.214 20 30 FGEDMO C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502530285 503218570 /nfs/dbraw/zinc/21/85/70/503218570.db2.gz JXFCLMQRORBHPA-SFHVURJKSA-N 1 1 359.473 3.395 20 30 FGEDMO C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502530285 503218575 /nfs/dbraw/zinc/21/85/75/503218575.db2.gz JXFCLMQRORBHPA-SFHVURJKSA-N 1 1 359.473 3.395 20 30 FGEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000593050134 506359418 /nfs/dbraw/zinc/35/94/18/506359418.db2.gz XPGUONTZIPNVMG-RHSMWYFYSA-N 1 1 357.454 3.081 20 30 FGEDMO C[C@@H]([NH2+]Cc1cc(S(C)(=O)=O)ccc1F)c1ccc(C#N)c(F)c1 ZINC000502590341 503233473 /nfs/dbraw/zinc/23/34/73/503233473.db2.gz CWNXKMVHPXNZGI-LLVKDONJSA-N 1 1 350.390 3.091 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)CCc1ccccc1[N+](=O)[O-] ZINC000511064083 503244987 /nfs/dbraw/zinc/24/49/87/503244987.db2.gz JDPZAZGJSZFAIK-UHFFFAOYSA-N 1 1 358.423 3.031 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)CNC1CC[NH+](C2CCCC2)CC1 ZINC000515165835 503282967 /nfs/dbraw/zinc/28/29/67/503282967.db2.gz KKSATTXFTKQSBE-NRFANRHFSA-N 1 1 358.526 3.151 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)c1C#N ZINC000511606312 503353092 /nfs/dbraw/zinc/35/30/92/503353092.db2.gz UHAPDONIUJCEGV-RTBURBONSA-N 1 1 372.513 3.266 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000499253439 503365627 /nfs/dbraw/zinc/36/56/27/503365627.db2.gz HYYHNVCNDXKPEK-RBUKOAKNSA-N 1 1 352.482 3.188 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Cc2nccs2)CC1 ZINC000602958060 506367665 /nfs/dbraw/zinc/36/76/65/506367665.db2.gz XVQPEPUBDWDBCP-HNNXBMFYSA-N 1 1 360.527 3.129 20 30 FGEDMO N#Cc1cccc(NC(=O)C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000611938758 506367955 /nfs/dbraw/zinc/36/79/55/506367955.db2.gz WHAGMTCGSZUXMY-NRFANRHFSA-N 1 1 362.477 3.314 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)c3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000508080104 503425752 /nfs/dbraw/zinc/42/57/52/503425752.db2.gz SOJUNLGNRFAAGY-IAGOWNOFSA-N 1 1 363.461 3.444 20 30 FGEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000508238810 503461065 /nfs/dbraw/zinc/46/10/65/503461065.db2.gz XETAGYKSYOIAQO-HXUWFJFHSA-N 1 1 366.465 3.389 20 30 FGEDMO C=C(C)C[N@@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccc(CO)o1 ZINC000512166142 503474243 /nfs/dbraw/zinc/47/42/43/503474243.db2.gz MUBUVKLIEVLQCD-UHFFFAOYSA-N 1 1 359.422 3.348 20 30 FGEDMO C=C(C)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(CO)o1 ZINC000512168879 503475535 /nfs/dbraw/zinc/47/55/35/503475535.db2.gz WAQSTCKQKIWDGC-UHFFFAOYSA-N 1 1 373.409 3.087 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(C(=O)NCC#Cc3cccc(F)c3)CC2)c1 ZINC000512189079 503481444 /nfs/dbraw/zinc/48/14/44/503481444.db2.gz HJLUJHXYJVLYIK-UHFFFAOYSA-N 1 1 365.452 3.013 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](O)COc1c(C)cccc1C ZINC000512228258 503492275 /nfs/dbraw/zinc/49/22/75/503492275.db2.gz PDZGHUQDPHDPPG-SFHVURJKSA-N 1 1 359.466 3.207 20 30 FGEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)NCCc2cccc(C#N)c2)[C@H](C(F)(F)F)C1 ZINC000512328322 503520409 /nfs/dbraw/zinc/52/04/09/503520409.db2.gz MIQFGDLWBZASSK-HZPDHXFCSA-N 1 1 367.415 3.126 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000499984971 503527318 /nfs/dbraw/zinc/52/73/18/503527318.db2.gz ATJAXZQETQNDOE-HNNXBMFYSA-N 1 1 370.280 3.041 20 30 FGEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000500166733 503569792 /nfs/dbraw/zinc/56/97/92/503569792.db2.gz IYCXKELIIBEUPP-GOSISDBHSA-N 1 1 363.864 3.409 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000494684111 503591565 /nfs/dbraw/zinc/59/15/65/503591565.db2.gz HTQGZRLTFZSPOO-LEWJYISDSA-N 1 1 370.541 3.115 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000494684111 503591567 /nfs/dbraw/zinc/59/15/67/503591567.db2.gz HTQGZRLTFZSPOO-LEWJYISDSA-N 1 1 370.541 3.115 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000494684111 503591569 /nfs/dbraw/zinc/59/15/69/503591569.db2.gz HTQGZRLTFZSPOO-LEWJYISDSA-N 1 1 370.541 3.115 20 30 FGEDMO C[N@H+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1(C)C ZINC000603013509 506382035 /nfs/dbraw/zinc/38/20/35/506382035.db2.gz ISIKAPNKYICCLQ-UHFFFAOYSA-N 1 1 365.437 3.303 20 30 FGEDMO C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000509068239 503634668 /nfs/dbraw/zinc/63/46/68/503634668.db2.gz IABLSMXGBTYGRN-KRWDZBQOSA-N 1 1 363.461 3.453 20 30 FGEDMO CC(C)(C#N)CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000512895306 503651132 /nfs/dbraw/zinc/65/11/32/503651132.db2.gz JUSFMWFHRFVQSG-MOPGFXCFSA-N 1 1 354.498 3.232 20 30 FGEDMO CCN(C(=O)c1ncc(C#N)cc1Cl)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546209140 503671037 /nfs/dbraw/zinc/67/10/37/503671037.db2.gz YFNOJLPHVAAEDG-KRWDZBQOSA-N 1 1 368.868 3.343 20 30 FGEDMO N#Cc1cc(F)cc(C2(C(=O)NC[C@@H]3CC[N@H+]3C3CCCCC3)CC2)c1 ZINC000529715174 503673295 /nfs/dbraw/zinc/67/32/95/503673295.db2.gz CJJOQWSSTFUCSW-IBGZPJMESA-N 1 1 355.457 3.252 20 30 FGEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000540348202 503745928 /nfs/dbraw/zinc/74/59/28/503745928.db2.gz SQSWYVQNHQAITB-UHFFFAOYSA-N 1 1 362.408 3.420 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000540393829 503757251 /nfs/dbraw/zinc/75/72/51/503757251.db2.gz SNGDJSYCHCKDLW-KBPBESRZSA-N 1 1 350.434 3.083 20 30 FGEDMO Cc1cccc2nc(C3CC[NH+]([C@H](C)C(=O)NC4(C#N)CCC4)CC3)oc21 ZINC000527302630 503757800 /nfs/dbraw/zinc/75/78/00/503757800.db2.gz ZAOIONPHIKSJPG-OAHLLOKOSA-N 1 1 366.465 3.267 20 30 FGEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)nc1 ZINC000517568715 503773751 /nfs/dbraw/zinc/77/37/51/503773751.db2.gz MSCPORIGHWKOHS-SFHVURJKSA-N 1 1 368.868 3.391 20 30 FGEDMO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)nc1 ZINC000517568715 503773755 /nfs/dbraw/zinc/77/37/55/503773755.db2.gz MSCPORIGHWKOHS-SFHVURJKSA-N 1 1 368.868 3.391 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cc(OC)ccc1OC ZINC000533247854 503775382 /nfs/dbraw/zinc/77/53/82/503775382.db2.gz ORQLUQOPOBCQLQ-UHFFFAOYSA-N 1 1 354.450 3.373 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cc(OC)ccc1OC ZINC000533247854 503775385 /nfs/dbraw/zinc/77/53/85/503775385.db2.gz ORQLUQOPOBCQLQ-UHFFFAOYSA-N 1 1 354.450 3.373 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000533422588 503838864 /nfs/dbraw/zinc/83/88/64/503838864.db2.gz VNPZDPZKKXFITK-JOCHJYFZSA-N 1 1 374.488 3.266 20 30 FGEDMO COCc1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C#N ZINC000530121056 503844116 /nfs/dbraw/zinc/84/41/16/503844116.db2.gz GCDCXSHIXQYVJN-UHFFFAOYSA-N 1 1 351.450 3.149 20 30 FGEDMO CC[C@@H]1CN(C(=O)NCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000546761567 503869334 /nfs/dbraw/zinc/86/93/34/503869334.db2.gz PPGILUUEQBQAOG-OAQYLSRUSA-N 1 1 362.477 3.364 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000533539664 503882422 /nfs/dbraw/zinc/88/24/22/503882422.db2.gz AVHNPRBAVXBMFR-KURKYZTESA-N 1 1 373.472 3.209 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000533545935 503882961 /nfs/dbraw/zinc/88/29/61/503882961.db2.gz LSLAZABCMWVECC-XUVXKRRUSA-N 1 1 369.509 3.297 20 30 FGEDMO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3cccc(C#N)n3)CC2)c1C ZINC000546916264 503925773 /nfs/dbraw/zinc/92/57/73/503925773.db2.gz DSRRBPYKRKNUNI-UHFFFAOYSA-N 1 1 362.477 3.403 20 30 FGEDMO COc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1OCCCC#N ZINC000527804924 503952511 /nfs/dbraw/zinc/95/25/11/503952511.db2.gz CWSITJJAFNURKO-IBGZPJMESA-N 1 1 357.498 3.484 20 30 FGEDMO COc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1OCCCC#N ZINC000527804924 503952515 /nfs/dbraw/zinc/95/25/15/503952515.db2.gz CWSITJJAFNURKO-IBGZPJMESA-N 1 1 357.498 3.484 20 30 FGEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000533832875 503964188 /nfs/dbraw/zinc/96/41/88/503964188.db2.gz OIAKBMSWEYVISA-LJQANCHMSA-N 1 1 351.475 3.094 20 30 FGEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000533832875 503964194 /nfs/dbraw/zinc/96/41/94/503964194.db2.gz OIAKBMSWEYVISA-LJQANCHMSA-N 1 1 351.475 3.094 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1cnc2ccc(C#N)cn12 ZINC000537615180 503975523 /nfs/dbraw/zinc/97/55/23/503975523.db2.gz WERVLJSZYPFQIS-QZTJIDSGSA-N 1 1 359.477 3.301 20 30 FGEDMO N#CCC1CC[NH+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 ZINC000541021434 503977015 /nfs/dbraw/zinc/97/70/15/503977015.db2.gz PHUWJVAPLJZNEF-UHFFFAOYSA-N 1 1 353.388 3.203 20 30 FGEDMO N#CCC1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000541041055 503984143 /nfs/dbraw/zinc/98/41/43/503984143.db2.gz GWEKWHPYUJPAGV-UHFFFAOYSA-N 1 1 358.511 3.393 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](Nc2ncc(Cl)c(C)c2C#N)[C@@H](C)C1 ZINC000544150592 504028346 /nfs/dbraw/zinc/02/83/46/504028346.db2.gz QXPDLPSPYTZXGM-SUMWQHHRSA-N 1 1 350.894 3.464 20 30 FGEDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(CC#N)cc3)[C@@H](C)C2)cc1 ZINC000541272235 504068561 /nfs/dbraw/zinc/06/85/61/504068561.db2.gz PXNADDLJEKQULU-KRWDZBQOSA-N 1 1 363.461 3.250 20 30 FGEDMO CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000518898076 504087600 /nfs/dbraw/zinc/08/76/00/504087600.db2.gz NGSAMEDFBSHJNF-KRWDZBQOSA-N 1 1 365.433 3.039 20 30 FGEDMO C=C(CC)C[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000537993015 504104754 /nfs/dbraw/zinc/10/47/54/504104754.db2.gz IWNRPMZXRFNNNU-UHFFFAOYSA-N 1 1 355.404 3.228 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C4CC4)cn3)CC2)cc1 ZINC000531026421 504166140 /nfs/dbraw/zinc/16/61/40/504166140.db2.gz UGKYHFVWJOMOCE-UHFFFAOYSA-N 1 1 360.461 3.179 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C4CC4)cn3)CC2)cc1 ZINC000531026421 504166146 /nfs/dbraw/zinc/16/61/46/504166146.db2.gz UGKYHFVWJOMOCE-UHFFFAOYSA-N 1 1 360.461 3.179 20 30 FGEDMO N#Cc1cccc(CC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000531149147 504207030 /nfs/dbraw/zinc/20/70/30/504207030.db2.gz DANVQVOCAVROCX-UHFFFAOYSA-N 1 1 367.880 3.489 20 30 FGEDMO N#Cc1cccc(CC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000531149147 504207033 /nfs/dbraw/zinc/20/70/33/504207033.db2.gz DANVQVOCAVROCX-UHFFFAOYSA-N 1 1 367.880 3.489 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531197212 504223213 /nfs/dbraw/zinc/22/32/13/504223213.db2.gz UTJOOPUZBRTVQC-GOSISDBHSA-N 1 1 356.857 3.117 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000531354631 504276139 /nfs/dbraw/zinc/27/61/39/504276139.db2.gz JRQZYQWKMOGINS-ZOWXZIJZSA-N 1 1 355.360 3.139 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CC#N)CC2)[C@@H]1c1cccs1 ZINC000541969041 504318710 /nfs/dbraw/zinc/31/87/10/504318710.db2.gz YEXJZMSRPHIQAG-FUHWJXTLSA-N 1 1 360.527 3.466 20 30 FGEDMO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c(OC)c1 ZINC000528673401 504324471 /nfs/dbraw/zinc/32/44/71/504324471.db2.gz RCLQTZJZUSQPNX-QWHCGFSZSA-N 1 1 371.437 3.463 20 30 FGEDMO C=CCn1c(C)nnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000519756046 504328813 /nfs/dbraw/zinc/32/88/13/504328813.db2.gz QRQBOXAFMMPESV-NRFANRHFSA-N 1 1 351.498 3.265 20 30 FGEDMO C=CCc1ccc(OCC(=O)NCC[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000519998672 504397060 /nfs/dbraw/zinc/39/70/60/504397060.db2.gz AUOBIORJQNCEPD-UHFFFAOYSA-N 1 1 360.498 3.183 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000531842009 504442430 /nfs/dbraw/zinc/44/24/30/504442430.db2.gz WXEYZCIDVVBBER-OAHLLOKOSA-N 1 1 351.878 3.049 20 30 FGEDMO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528962702 504471598 /nfs/dbraw/zinc/47/15/98/504471598.db2.gz ICEGDROPYNNCGK-CQSZACIVSA-N 1 1 364.396 3.298 20 30 FGEDMO CCN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000545518845 504513790 /nfs/dbraw/zinc/51/37/90/504513790.db2.gz AEDJUJOJPOWHOU-NRFANRHFSA-N 1 1 362.477 3.093 20 30 FGEDMO C=CCC[C@H](O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000542611134 504552224 /nfs/dbraw/zinc/55/22/24/504552224.db2.gz HSUKNRUHWQLVDG-RISCZKNCSA-N 1 1 366.259 3.477 20 30 FGEDMO COCc1ccc(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1C#N ZINC000529208672 504584607 /nfs/dbraw/zinc/58/46/07/504584607.db2.gz RJDFCTSDGUIZMV-FQEVSTJZSA-N 1 1 364.449 3.101 20 30 FGEDMO COCc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000529211931 504586279 /nfs/dbraw/zinc/58/62/79/504586279.db2.gz QAIWCTKILNFUHF-OAHLLOKOSA-N 1 1 358.486 3.337 20 30 FGEDMO C=C1CCN(c2nc(C[NH+](C)C)nc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000520827528 504591772 /nfs/dbraw/zinc/59/17/72/504591772.db2.gz JOQDTVCQAXSECL-UHFFFAOYSA-N 1 1 374.510 3.394 20 30 FGEDMO CC(C)COc1ccccc1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000548908188 504614879 /nfs/dbraw/zinc/61/48/79/504614879.db2.gz GBVQVWDSKMKRJV-UHFFFAOYSA-N 1 1 372.490 3.157 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000532352743 504620713 /nfs/dbraw/zinc/62/07/13/504620713.db2.gz HSBXUTKTVZDCRY-IBGZPJMESA-N 1 1 370.453 3.222 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](Cc2ccc(OC)cc2OC)[C@@H](C)C2CC2)C1=O ZINC000548944583 504630928 /nfs/dbraw/zinc/63/09/28/504630928.db2.gz BURPXUBAYPIXJV-HNAYVOBHSA-N 1 1 358.482 3.091 20 30 FGEDMO N#CCC1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000542879190 504645126 /nfs/dbraw/zinc/64/51/26/504645126.db2.gz OWAJDPHGDADTTD-UHFFFAOYSA-N 1 1 351.244 3.346 20 30 FGEDMO N#CCC1CC[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1 ZINC000542882074 504645675 /nfs/dbraw/zinc/64/56/75/504645675.db2.gz XXQNAJLGEBLVGX-UHFFFAOYSA-N 1 1 351.450 3.434 20 30 FGEDMO C[C@H](C#N)CNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000542881219 504646198 /nfs/dbraw/zinc/64/61/98/504646198.db2.gz OSVPLHRJKDEMDD-CYBMUJFWSA-N 1 1 368.403 3.129 20 30 FGEDMO CC(=O)NCC[N@@H+](CC#Cc1cccc(Cl)c1)C1CCSCC1 ZINC000549078641 504676828 /nfs/dbraw/zinc/67/68/28/504676828.db2.gz CDNKWMMYFUWLNX-UHFFFAOYSA-N 1 1 350.915 3.025 20 30 FGEDMO CC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCSCC1 ZINC000549078065 504676858 /nfs/dbraw/zinc/67/68/58/504676858.db2.gz LKQQHTJCZIZAIR-UHFFFAOYSA-N 1 1 351.903 3.045 20 30 FGEDMO C[C@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1C ZINC000532571845 504695620 /nfs/dbraw/zinc/69/56/20/504695620.db2.gz HTKPZXLRVFLDGP-GJZGRUSLSA-N 1 1 352.400 3.294 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000521263944 504696967 /nfs/dbraw/zinc/69/69/67/504696967.db2.gz RFHGUOKEEGJNBP-ZMMAXQRCSA-N 1 1 355.482 3.189 20 30 FGEDMO N#Cc1ccc(OC2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)cc1 ZINC000521287205 504701327 /nfs/dbraw/zinc/70/13/27/504701327.db2.gz NOPNAUMIZIONNG-RUZDIDTESA-N 1 1 354.475 3.209 20 30 FGEDMO C=CCN(CCOC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549201358 504722753 /nfs/dbraw/zinc/72/27/53/504722753.db2.gz IXMNNYLXWXYSAE-IBGZPJMESA-N 1 1 359.514 3.131 20 30 FGEDMO N#Cc1c(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)sc2c1CCCCC2 ZINC000532647441 504723412 /nfs/dbraw/zinc/72/34/12/504723412.db2.gz AIJNNBPVVMPCCB-WMLDXEAASA-N 1 1 373.522 3.328 20 30 FGEDMO N#Cc1c(NC(=O)C[N@H+]2CCC[C@H]3COCC[C@H]32)sc2c1CCCCC2 ZINC000532647441 504723416 /nfs/dbraw/zinc/72/34/16/504723416.db2.gz AIJNNBPVVMPCCB-WMLDXEAASA-N 1 1 373.522 3.328 20 30 FGEDMO CCc1oc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1C(=O)OC ZINC000559073299 504774954 /nfs/dbraw/zinc/77/49/54/504774954.db2.gz LOEWKXFXRCYFNK-UHFFFAOYSA-N 1 1 353.422 3.081 20 30 FGEDMO Cc1nsc(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1C#N ZINC000552974226 504796849 /nfs/dbraw/zinc/79/68/49/504796849.db2.gz VEDYGVJANKPWAW-GOSISDBHSA-N 1 1 355.511 3.114 20 30 FGEDMO Cc1nsc(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1C#N ZINC000552974226 504796857 /nfs/dbraw/zinc/79/68/57/504796857.db2.gz VEDYGVJANKPWAW-GOSISDBHSA-N 1 1 355.511 3.114 20 30 FGEDMO Cc1nsc(NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1C#N ZINC000552974226 504796861 /nfs/dbraw/zinc/79/68/61/504796861.db2.gz VEDYGVJANKPWAW-GOSISDBHSA-N 1 1 355.511 3.114 20 30 FGEDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000562374275 504798522 /nfs/dbraw/zinc/79/85/22/504798522.db2.gz SMVOYLUJFNUBBJ-GOSISDBHSA-N 1 1 365.481 3.066 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000549366935 504801745 /nfs/dbraw/zinc/80/17/45/504801745.db2.gz ZKDBRRIJABAGJI-MRXNPFEDSA-N 1 1 362.477 3.424 20 30 FGEDMO C=C(C)CN1CCC([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000559269040 504814203 /nfs/dbraw/zinc/81/42/03/504814203.db2.gz UIHZZIVKLJJXPA-UHFFFAOYSA-N 1 1 363.933 3.307 20 30 FGEDMO N#Cc1ccc(OCC[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)cc1 ZINC000565173325 504816438 /nfs/dbraw/zinc/81/64/38/504816438.db2.gz SYGDSNPFYRZQKB-MXVIHJGJSA-N 1 1 366.461 3.448 20 30 FGEDMO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000549669474 504870673 /nfs/dbraw/zinc/87/06/73/504870673.db2.gz ISEPAUINZJNPGY-GOSISDBHSA-N 1 1 369.513 3.306 20 30 FGEDMO CC(C)(O)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000553284459 504872964 /nfs/dbraw/zinc/87/29/64/504872964.db2.gz VQHQRXCABYVCCO-UHFFFAOYSA-N 1 1 351.450 3.160 20 30 FGEDMO COC(=O)c1ccc(COc2ccc(C[NH2+]CC3(C#N)CC3)cc2OC)o1 ZINC000565517655 504910153 /nfs/dbraw/zinc/91/01/53/504910153.db2.gz KTIGKNNJLAVGLF-UHFFFAOYSA-N 1 1 370.405 3.047 20 30 FGEDMO N#Cc1cccc(CNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000553449835 504918706 /nfs/dbraw/zinc/91/87/06/504918706.db2.gz AGWBPTXUJSQPIK-QHCPKHFHSA-N 1 1 374.488 3.366 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000562741268 504929604 /nfs/dbraw/zinc/92/96/04/504929604.db2.gz MXLQCQAOXRHIPG-MSOLQXFVSA-N 1 1 356.466 3.227 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000550032556 504954289 /nfs/dbraw/zinc/95/42/89/504954289.db2.gz QNDVLMUESWMBMI-WMZOPIPTSA-N 1 1 355.482 3.452 20 30 FGEDMO Cc1cc([C@H]2CCCN2CC#CC[N@@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157525 505006196 /nfs/dbraw/zinc/00/61/96/505006196.db2.gz XLKGESBXTLCUGL-HDICACEKSA-N 1 1 354.454 3.257 20 30 FGEDMO Cc1cc([C@H]2CCCN2CC#CC[N@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157525 505006199 /nfs/dbraw/zinc/00/61/99/505006199.db2.gz XLKGESBXTLCUGL-HDICACEKSA-N 1 1 354.454 3.257 20 30 FGEDMO Cc1cc([C@H]2CCC[N@H+]2CC#CCN2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157525 505006202 /nfs/dbraw/zinc/00/62/02/505006202.db2.gz XLKGESBXTLCUGL-HDICACEKSA-N 1 1 354.454 3.257 20 30 FGEDMO Cc1cc([C@H]2CCC[N@@H+]2CC#CCN2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157525 505006204 /nfs/dbraw/zinc/00/62/04/505006204.db2.gz XLKGESBXTLCUGL-HDICACEKSA-N 1 1 354.454 3.257 20 30 FGEDMO N#Cc1cscc1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000556932282 505021510 /nfs/dbraw/zinc/02/15/10/505021510.db2.gz UYLJDAYRMPPKKM-QGZVFWFLSA-N 1 1 351.431 3.474 20 30 FGEDMO N#Cc1cncnc1NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000563037480 505029416 /nfs/dbraw/zinc/02/94/16/505029416.db2.gz DAOGGYNZDAMWLC-SFHVURJKSA-N 1 1 361.474 3.043 20 30 FGEDMO N#Cc1cncnc1NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000563037480 505029422 /nfs/dbraw/zinc/02/94/22/505029422.db2.gz DAOGGYNZDAMWLC-SFHVURJKSA-N 1 1 361.474 3.043 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550393918 505033045 /nfs/dbraw/zinc/03/30/45/505033045.db2.gz PZGWTGKOQQGNGY-DKSSEZFCSA-N 1 1 363.889 3.236 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550393918 505033047 /nfs/dbraw/zinc/03/30/47/505033047.db2.gz PZGWTGKOQQGNGY-DKSSEZFCSA-N 1 1 363.889 3.236 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccc(C#N)n1 ZINC000563098628 505047386 /nfs/dbraw/zinc/04/73/86/505047386.db2.gz KWFMVVIFUXRAJR-GOSISDBHSA-N 1 1 351.454 3.231 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000563109364 505050211 /nfs/dbraw/zinc/05/02/11/505050211.db2.gz ZBEUCBARWLPNIY-FUHWJXTLSA-N 1 1 361.873 3.023 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000563109364 505050216 /nfs/dbraw/zinc/05/02/16/505050216.db2.gz ZBEUCBARWLPNIY-FUHWJXTLSA-N 1 1 361.873 3.023 20 30 FGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000566018405 505057063 /nfs/dbraw/zinc/05/70/63/505057063.db2.gz COJDGNYFGQCHAR-HNNXBMFYSA-N 1 1 350.422 3.333 20 30 FGEDMO Cc1ccc(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1C ZINC000566032948 505059969 /nfs/dbraw/zinc/05/99/69/505059969.db2.gz AKMZYQUSYAMNHJ-UHFFFAOYSA-N 1 1 351.450 3.262 20 30 FGEDMO Cc1ccc(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1C ZINC000566032948 505059972 /nfs/dbraw/zinc/05/99/72/505059972.db2.gz AKMZYQUSYAMNHJ-UHFFFAOYSA-N 1 1 351.450 3.262 20 30 FGEDMO CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)cc2)CC1 ZINC000563183860 505069013 /nfs/dbraw/zinc/06/90/13/505069013.db2.gz YFJCAPGHHPMAIW-FCHUYYIVSA-N 1 1 374.488 3.048 20 30 FGEDMO N#Cc1c2c(cnc1NC[C@H]1CCC[N@@H+](Cc3cccs3)C1)CCC2 ZINC000566135960 505093124 /nfs/dbraw/zinc/09/31/24/505093124.db2.gz VNPKZYHFRPPIRO-OAHLLOKOSA-N 1 1 352.507 3.249 20 30 FGEDMO N#CCCC1CCN(CC2(C[NH+]3CCC(CCC#N)CC3)COC2)CC1 ZINC000566174011 505104408 /nfs/dbraw/zinc/10/44/08/505104408.db2.gz OWZCZWQBCMRSCW-UHFFFAOYSA-N 1 1 358.530 3.035 20 30 FGEDMO CC(C)(CCC#N)CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000554145991 505105124 /nfs/dbraw/zinc/10/51/24/505105124.db2.gz KFDJBZJJCJEARI-UHFFFAOYSA-N 1 1 358.486 3.013 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000566176945 505105320 /nfs/dbraw/zinc/10/53/20/505105320.db2.gz KZPOROMRPYLFHQ-DDUYZKFLSA-N 1 1 354.498 3.190 20 30 FGEDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000566214170 505113574 /nfs/dbraw/zinc/11/35/74/505113574.db2.gz WVLMDBKJSHLOKH-CYBMUJFWSA-N 1 1 372.284 3.498 20 30 FGEDMO CC[N@H+](CCOC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000560531883 505116265 /nfs/dbraw/zinc/11/62/65/505116265.db2.gz GYTXGAGWQBZZJR-UHFFFAOYSA-N 1 1 360.502 3.389 20 30 FGEDMO CC[N@@H+](CCOC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000560531883 505116271 /nfs/dbraw/zinc/11/62/71/505116271.db2.gz GYTXGAGWQBZZJR-UHFFFAOYSA-N 1 1 360.502 3.389 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)Cc2c(F)cccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000560555798 505125350 /nfs/dbraw/zinc/12/53/50/505125350.db2.gz DXDIEEPAYCJIFD-MAUKXSAKSA-N 1 1 351.425 3.019 20 30 FGEDMO N#Cc1ccnc(C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)c1 ZINC000557483805 505147286 /nfs/dbraw/zinc/14/72/86/505147286.db2.gz UINCPAICYRWACE-UHFFFAOYSA-N 1 1 355.401 3.163 20 30 FGEDMO CCN(C(=O)Cc1c(F)cccc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560639131 505151788 /nfs/dbraw/zinc/15/17/88/505151788.db2.gz ASDLXTPGXRYUIG-IBGZPJMESA-N 1 1 365.452 3.363 20 30 FGEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000557590763 505176609 /nfs/dbraw/zinc/17/66/09/505176609.db2.gz MUSPZCOXEGWAPW-ZDUSSCGKSA-N 1 1 369.278 3.443 20 30 FGEDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000566538965 505198717 /nfs/dbraw/zinc/19/87/17/505198717.db2.gz LCSFDAJXWYXVEZ-QFBILLFUSA-N 1 1 364.449 3.050 20 30 FGEDMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000566538965 505198720 /nfs/dbraw/zinc/19/87/20/505198720.db2.gz LCSFDAJXWYXVEZ-QFBILLFUSA-N 1 1 364.449 3.050 20 30 FGEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1nc2cc(Cl)ccn2c1C#N ZINC000557752440 505221057 /nfs/dbraw/zinc/22/10/57/505221057.db2.gz UMABNRZDFAUZHW-UHFFFAOYSA-N 1 1 357.845 3.411 20 30 FGEDMO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1C#N ZINC000554873233 505286400 /nfs/dbraw/zinc/28/64/00/505286400.db2.gz IZKXIXXMNJMVIE-HXUWFJFHSA-N 1 1 364.493 3.000 20 30 FGEDMO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)cc1C#N ZINC000554873233 505286403 /nfs/dbraw/zinc/28/64/03/505286403.db2.gz IZKXIXXMNJMVIE-HXUWFJFHSA-N 1 1 364.493 3.000 20 30 FGEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000554947145 505306613 /nfs/dbraw/zinc/30/66/13/505306613.db2.gz WLKUMVNWXVMTDN-LBPRGKRZSA-N 1 1 355.251 3.439 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC#Cc1cccc(F)c1 ZINC000555214073 505381043 /nfs/dbraw/zinc/38/10/43/505381043.db2.gz JJXSRVBZHVGRMK-UHFFFAOYSA-N 1 1 367.468 3.387 20 30 FGEDMO C[C@H]1C[C@@H](N(C)Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1Cc1ccccc1 ZINC000567271642 505414828 /nfs/dbraw/zinc/41/48/28/505414828.db2.gz CJNGLELIEAQPAB-UWJYYQICSA-N 1 1 374.492 3.086 20 30 FGEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000561810291 505441957 /nfs/dbraw/zinc/44/19/57/505441957.db2.gz HGEREHHTEBGZOV-NRFANRHFSA-N 1 1 363.461 3.192 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cscc3C#N)c2)C[C@H](C)O1 ZINC000567493304 505479722 /nfs/dbraw/zinc/47/97/22/505479722.db2.gz SZHGCFMPJLACHE-OKILXGFUSA-N 1 1 355.463 3.481 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cscc3C#N)c2)C[C@H](C)O1 ZINC000567493304 505479726 /nfs/dbraw/zinc/47/97/26/505479726.db2.gz SZHGCFMPJLACHE-OKILXGFUSA-N 1 1 355.463 3.481 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000555658943 505488054 /nfs/dbraw/zinc/48/80/54/505488054.db2.gz QKBKEXNHPIWQAH-HSZRJFAPSA-N 1 1 372.472 3.290 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000555658943 505488057 /nfs/dbraw/zinc/48/80/57/505488057.db2.gz QKBKEXNHPIWQAH-HSZRJFAPSA-N 1 1 372.472 3.290 20 30 FGEDMO Cc1ccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)cc1C#N ZINC000599255583 506386922 /nfs/dbraw/zinc/38/69/22/506386922.db2.gz AQVFIVGJSYRWKA-UHFFFAOYSA-N 1 1 371.282 3.346 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccs2)CCOCC1 ZINC000599253384 506386992 /nfs/dbraw/zinc/38/69/92/506386992.db2.gz JTYXOUGSJSERMC-MRXNPFEDSA-N 1 1 360.479 3.415 20 30 FGEDMO CC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000599270152 506391372 /nfs/dbraw/zinc/39/13/72/506391372.db2.gz AURVVSWILKQGLR-LPHOPBHVSA-N 1 1 354.450 3.390 20 30 FGEDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000588980083 506402849 /nfs/dbraw/zinc/40/28/49/506402849.db2.gz QGNBSYRFLKYZER-UHFFFAOYSA-N 1 1 355.394 3.124 20 30 FGEDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000588980083 506402853 /nfs/dbraw/zinc/40/28/53/506402853.db2.gz QGNBSYRFLKYZER-UHFFFAOYSA-N 1 1 355.394 3.124 20 30 FGEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000599303195 506404097 /nfs/dbraw/zinc/40/40/97/506404097.db2.gz LXZAJRNZWRAFGX-IEBWSBKVSA-N 1 1 368.502 3.412 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000596462749 506418637 /nfs/dbraw/zinc/41/86/37/506418637.db2.gz RDFOGYSENXTCTK-IBGZPJMESA-N 1 1 350.422 3.220 20 30 FGEDMO C[C@H](C#N)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000599428302 506453189 /nfs/dbraw/zinc/45/31/89/506453189.db2.gz LKPLBVWPWQJROR-KBAYOESNSA-N 1 1 353.491 3.240 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159637 506465590 /nfs/dbraw/zinc/46/55/90/506465590.db2.gz XCDXDJPCAYCBLK-NRFANRHFSA-N 1 1 365.481 3.443 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159637 506465593 /nfs/dbraw/zinc/46/55/93/506465593.db2.gz XCDXDJPCAYCBLK-NRFANRHFSA-N 1 1 365.481 3.443 20 30 FGEDMO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000612164599 506468654 /nfs/dbraw/zinc/46/86/54/506468654.db2.gz HCNQHBGJQXPQEK-INIZCTEOSA-N 1 1 350.260 3.403 20 30 FGEDMO C[C@@]1(C#N)CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000612164599 506468649 /nfs/dbraw/zinc/46/86/49/506468649.db2.gz HCNQHBGJQXPQEK-INIZCTEOSA-N 1 1 350.260 3.403 20 30 FGEDMO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000599496133 506474319 /nfs/dbraw/zinc/47/43/19/506474319.db2.gz UEDMAQFEBJKWGX-FQEVSTJZSA-N 1 1 357.454 3.083 20 30 FGEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCN(Cc3ccccc3)CC1)CC2 ZINC000582908160 506482837 /nfs/dbraw/zinc/48/28/37/506482837.db2.gz NXCZTDXPXAYYLV-DEOSSOPVSA-N 1 1 374.532 3.343 20 30 FGEDMO C[C@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)C(=O)N(C)CCC#N ZINC000599541367 506491385 /nfs/dbraw/zinc/49/13/85/506491385.db2.gz IRCNKCIJXCZFAA-UWVGGRQHSA-N 1 1 374.229 3.138 20 30 FGEDMO N#Cc1ccc(N2CCC(N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC2)cc1 ZINC000596650382 506510215 /nfs/dbraw/zinc/51/02/15/506510215.db2.gz PRSKCMOBTCDRTI-DHIUTWEWSA-N 1 1 360.505 3.262 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H]4CCC[C@@H]43)sc2C1 ZINC000599595735 506522130 /nfs/dbraw/zinc/52/21/30/506522130.db2.gz JPQOYEGAMIKXEW-RRQGHBQHSA-N 1 1 373.522 3.326 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H]4CCC[C@@H]43)sc2C1 ZINC000599595735 506522136 /nfs/dbraw/zinc/52/21/36/506522136.db2.gz JPQOYEGAMIKXEW-RRQGHBQHSA-N 1 1 373.522 3.326 20 30 FGEDMO N#Cc1ccc(C2([NH2+]Cc3c(F)cccc3[N+](=O)[O-])CCOCC2)cc1 ZINC000599629951 506539676 /nfs/dbraw/zinc/53/96/76/506539676.db2.gz CCARJRLQLRJABO-UHFFFAOYSA-N 1 1 355.369 3.401 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599639456 506544989 /nfs/dbraw/zinc/54/49/89/506544989.db2.gz DOOCVINVODJOFR-XQBPLPMBSA-N 1 1 369.509 3.033 20 30 FGEDMO C[C@@]1(NC(=O)NCc2ccc(C#N)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000593338586 506553438 /nfs/dbraw/zinc/55/34/38/506553438.db2.gz JGXVZEORZJUEEN-OAQYLSRUSA-N 1 1 366.440 3.161 20 30 FGEDMO N#C[C@H](NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000596710600 506553886 /nfs/dbraw/zinc/55/38/86/506553886.db2.gz NKWSTXYDMXIEAS-FPOVZHCZSA-N 1 1 365.452 3.461 20 30 FGEDMO N#CCc1cccc2c1CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000599679650 506574113 /nfs/dbraw/zinc/57/41/13/506574113.db2.gz WLOQRCUXJSFFPV-UHFFFAOYSA-N 1 1 351.406 3.488 20 30 FGEDMO COc1ccc([C@@H]2CC[N@H+](CC(=O)Nc3ccc(C#N)cc3)C2)cc1F ZINC000599678262 506575193 /nfs/dbraw/zinc/57/51/93/506575193.db2.gz KHXBDTBXGBTEHF-MRXNPFEDSA-N 1 1 353.397 3.134 20 30 FGEDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)cc1F ZINC000599678262 506575199 /nfs/dbraw/zinc/57/51/99/506575199.db2.gz KHXBDTBXGBTEHF-MRXNPFEDSA-N 1 1 353.397 3.134 20 30 FGEDMO CSc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599677629 506575214 /nfs/dbraw/zinc/57/52/14/506575214.db2.gz ILRZCRDDRAYTJN-SFHVURJKSA-N 1 1 368.502 3.273 20 30 FGEDMO C[C@@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599686731 506580961 /nfs/dbraw/zinc/58/09/61/506580961.db2.gz WYKDXORZNCPZLF-ZWKOTPCHSA-N 1 1 361.489 3.419 20 30 FGEDMO C[C@@H](CNC(=O)[C@@H](C)[N@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC000599686731 506580967 /nfs/dbraw/zinc/58/09/67/506580967.db2.gz WYKDXORZNCPZLF-ZWKOTPCHSA-N 1 1 361.489 3.419 20 30 FGEDMO C[C@@H](CC#N)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000596840475 506629715 /nfs/dbraw/zinc/62/97/15/506629715.db2.gz IIFFDGCSHYBWJL-KBPBESRZSA-N 1 1 360.433 3.127 20 30 FGEDMO C[C@@H](CC#N)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000596840475 506629717 /nfs/dbraw/zinc/62/97/17/506629717.db2.gz IIFFDGCSHYBWJL-KBPBESRZSA-N 1 1 360.433 3.127 20 30 FGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)C1 ZINC000589743985 506640842 /nfs/dbraw/zinc/64/08/42/506640842.db2.gz VNUBOACKZGQFIU-XLNTUCKNSA-N 1 1 355.482 3.148 20 30 FGEDMO COc1cc(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c(F)cc1C#N ZINC000599811199 506650635 /nfs/dbraw/zinc/65/06/35/506650635.db2.gz RLVCJZLXOKMZEU-INIZCTEOSA-N 1 1 368.412 3.102 20 30 FGEDMO COc1cc(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c(F)cc1C#N ZINC000599818689 506654791 /nfs/dbraw/zinc/65/47/91/506654791.db2.gz YSKPMEBLKSQRRA-AWEZNQCLSA-N 1 1 362.449 3.340 20 30 FGEDMO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000583272954 506689261 /nfs/dbraw/zinc/68/92/61/506689261.db2.gz AJYYCXXZJWNWRZ-KGLIPLIRSA-N 1 1 353.388 3.288 20 30 FGEDMO CC1(C)C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)c2cc(F)ccc2O1 ZINC000593674519 506724322 /nfs/dbraw/zinc/72/43/22/506724322.db2.gz XAEQMURKHIVVAV-MRXNPFEDSA-N 1 1 351.385 3.132 20 30 FGEDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000604176238 506737860 /nfs/dbraw/zinc/73/78/60/506737860.db2.gz MMBJPNIJPMNLHF-UHFFFAOYSA-N 1 1 374.444 3.462 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@@H](O)CC1 ZINC000590209419 506764233 /nfs/dbraw/zinc/76/42/33/506764233.db2.gz UEIJOLCBXSOVCT-ZIAGYGMSSA-N 1 1 361.511 3.062 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@@H](O)CC1 ZINC000590209419 506764239 /nfs/dbraw/zinc/76/42/39/506764239.db2.gz UEIJOLCBXSOVCT-ZIAGYGMSSA-N 1 1 361.511 3.062 20 30 FGEDMO CCN1C[C@H](C[N@@H+](C)CCOc2ccccc2C#N)Oc2ccccc21 ZINC000604271937 506771341 /nfs/dbraw/zinc/77/13/41/506771341.db2.gz GKSZNYVRTRSCGW-SFHVURJKSA-N 1 1 351.450 3.156 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1CO ZINC000594016665 506885616 /nfs/dbraw/zinc/88/56/16/506885616.db2.gz COGKQVRQWAMGEK-HOTGVXAUSA-N 1 1 361.511 3.114 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1CO ZINC000594016665 506885625 /nfs/dbraw/zinc/88/56/25/506885625.db2.gz COGKQVRQWAMGEK-HOTGVXAUSA-N 1 1 361.511 3.114 20 30 FGEDMO N#Cc1ccc(NCC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000609448570 506885997 /nfs/dbraw/zinc/88/59/97/506885997.db2.gz UKISGUYPDAWPLG-HXUWFJFHSA-N 1 1 354.498 3.131 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597388659 506925969 /nfs/dbraw/zinc/92/59/69/506925969.db2.gz TVQOROAYPFHFEE-SFHVURJKSA-N 1 1 361.530 3.200 20 30 FGEDMO N#CCCn1cc(C[NH2+]Cc2cn3ccsc3n2)c(-c2ccccc2)n1 ZINC000609598725 506938567 /nfs/dbraw/zinc/93/85/67/506938567.db2.gz CCXIYJPUCYKDDV-UHFFFAOYSA-N 1 1 362.462 3.463 20 30 FGEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)CC#N ZINC000597416567 506941480 /nfs/dbraw/zinc/94/14/80/506941480.db2.gz SLNQYWIJUSHRLX-YJBOKZPZSA-N 1 1 351.454 3.127 20 30 FGEDMO N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000597445101 506956660 /nfs/dbraw/zinc/95/66/60/506956660.db2.gz QZPUBPDKKCOEGZ-NRFANRHFSA-N 1 1 359.473 3.402 20 30 FGEDMO C[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000597483030 506973775 /nfs/dbraw/zinc/97/37/75/506973775.db2.gz IOHJXOADOJLLLH-ZBFHGGJFSA-N 1 1 369.415 3.477 20 30 FGEDMO N#Cc1ccc(C2(NC(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CCC2)cc1 ZINC000594242188 507036705 /nfs/dbraw/zinc/03/67/05/507036705.db2.gz MLDBHUZZMZBPCB-LJQANCHMSA-N 1 1 352.482 3.254 20 30 FGEDMO C[C@H]1[C@H](NC(=O)c2cc(F)c(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000597655089 507047917 /nfs/dbraw/zinc/04/79/17/507047917.db2.gz ZJXACBQLPZTIBF-ORAYPTAESA-N 1 1 355.388 3.229 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000594302114 507070503 /nfs/dbraw/zinc/07/05/03/507070503.db2.gz CWBCWZCIQOSKGA-XMSQKQJNSA-N 1 1 361.489 3.470 20 30 FGEDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@H](O)COc1ccccc1C#N ZINC000600739916 507093578 /nfs/dbraw/zinc/09/35/78/507093578.db2.gz UJTOWRGMDRLXBD-IBGZPJMESA-N 1 1 351.450 3.319 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062228 507095908 /nfs/dbraw/zinc/09/59/08/507095908.db2.gz YGUZLAVDTWWMFD-SJLPKXTDSA-N 1 1 355.482 3.452 20 30 FGEDMO N#Cc1ccncc1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000584009871 507100732 /nfs/dbraw/zinc/10/07/32/507100732.db2.gz MBHHHAPVPCLRQC-UHFFFAOYSA-N 1 1 362.355 3.174 20 30 FGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccc(OC)cc1OC ZINC000610132620 507109845 /nfs/dbraw/zinc/10/98/45/507109845.db2.gz NNVYAZOAHBLNGX-UHFFFAOYSA-N 1 1 370.449 3.485 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000610134167 507111290 /nfs/dbraw/zinc/11/12/90/507111290.db2.gz RQXVYLXIEZUZLT-RTBURBONSA-N 1 1 357.498 3.090 20 30 FGEDMO CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000594440445 507132444 /nfs/dbraw/zinc/13/24/44/507132444.db2.gz CKFDBQXIBXNWHT-NHCUHLMSSA-N 1 1 370.541 3.301 20 30 FGEDMO C[C@@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)c1cccc(C#N)c1 ZINC000610357237 507211912 /nfs/dbraw/zinc/21/19/12/507211912.db2.gz JGSAQMMOMOJAAF-MRXNPFEDSA-N 1 1 368.506 3.251 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)cc1 ZINC000610458437 507248730 /nfs/dbraw/zinc/24/87/30/507248730.db2.gz RZCJLXUINPUKMR-GOSISDBHSA-N 1 1 362.477 3.364 20 30 FGEDMO Cc1cc(N2CCC(Nc3cc(C#N)c4ccccc4n3)CC2)nc(C)[nH+]1 ZINC000610541837 507283330 /nfs/dbraw/zinc/28/33/30/507283330.db2.gz AXWRWPFWXWICLA-UHFFFAOYSA-N 1 1 358.449 3.016 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(F)c(F)c3F)C2=O)cc1 ZINC000594943796 507324241 /nfs/dbraw/zinc/32/42/41/507324241.db2.gz QAVBOSIERIMDKM-INIZCTEOSA-N 1 1 359.351 3.261 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000594957915 507331788 /nfs/dbraw/zinc/33/17/88/507331788.db2.gz WYBSKONKPYXOMQ-IBGZPJMESA-N 1 1 351.498 3.426 20 30 FGEDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000594957915 507331795 /nfs/dbraw/zinc/33/17/95/507331795.db2.gz WYBSKONKPYXOMQ-IBGZPJMESA-N 1 1 351.498 3.426 20 30 FGEDMO COc1cccc(OC)c1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594968585 507336704 /nfs/dbraw/zinc/33/67/04/507336704.db2.gz STSLOQRNHVGARX-UHFFFAOYSA-N 1 1 365.477 3.330 20 30 FGEDMO Cc1ccccc1-n1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)nn1 ZINC000594981977 507341593 /nfs/dbraw/zinc/34/15/93/507341593.db2.gz WSYPEJXDJCTRAH-UHFFFAOYSA-N 1 1 373.460 3.243 20 30 FGEDMO C[C@H](NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073195 507379436 /nfs/dbraw/zinc/37/94/36/507379436.db2.gz SYGVWVVBMGFWIZ-HNAYVOBHSA-N 1 1 353.441 3.115 20 30 FGEDMO C[C@H](NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073195 507379443 /nfs/dbraw/zinc/37/94/43/507379443.db2.gz SYGVWVVBMGFWIZ-HNAYVOBHSA-N 1 1 353.441 3.115 20 30 FGEDMO CC1CC[NH+](CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000610770644 507384452 /nfs/dbraw/zinc/38/44/52/507384452.db2.gz VQHRGZLZYUUMLL-UHFFFAOYSA-N 1 1 350.422 3.416 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)cc2)C[C@H](C)O1 ZINC000601817856 507470063 /nfs/dbraw/zinc/47/00/63/507470063.db2.gz GTXBNETZSPWFRI-ACZWYYKOSA-N 1 1 355.482 3.060 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)cc2)C[C@H](C)O1 ZINC000601817856 507470066 /nfs/dbraw/zinc/47/00/66/507470066.db2.gz GTXBNETZSPWFRI-ACZWYYKOSA-N 1 1 355.482 3.060 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C ZINC000610998313 507476255 /nfs/dbraw/zinc/47/62/55/507476255.db2.gz OFHHEEGNICXVMR-UXHICEINSA-N 1 1 369.509 3.299 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598560860 507487295 /nfs/dbraw/zinc/48/72/95/507487295.db2.gz ODALHECFBRVIQN-RXVVDRJESA-N 1 1 369.509 3.200 20 30 FGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC000595431557 507493203 /nfs/dbraw/zinc/49/32/03/507493203.db2.gz RCWNAUYFOMJYHP-HXUWFJFHSA-N 1 1 369.490 3.007 20 30 FGEDMO COc1ccccc1C1([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000592142769 507505786 /nfs/dbraw/zinc/50/57/86/507505786.db2.gz CYSCELLXKZAMJO-UHFFFAOYSA-N 1 1 355.463 3.463 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183034 507528332 /nfs/dbraw/zinc/52/83/32/507528332.db2.gz HTXYVFLTROMIRU-ZIAGYGMSSA-N 1 1 361.873 3.430 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000611162122 507541127 /nfs/dbraw/zinc/54/11/27/507541127.db2.gz WMVXQFDSMDYAKB-FDFHNCONSA-N 1 1 374.488 3.089 20 30 FGEDMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000611205327 507561620 /nfs/dbraw/zinc/56/16/20/507561620.db2.gz VAIORIVFXRKFPB-OALUTQOASA-N 1 1 357.498 3.297 20 30 FGEDMO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H]1C ZINC000595560238 507562435 /nfs/dbraw/zinc/56/24/35/507562435.db2.gz SZZPIJKURKRICR-GZBFAFLISA-N 1 1 363.483 3.000 20 30 FGEDMO C[C@@]1(C#N)CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000595603063 507585212 /nfs/dbraw/zinc/58/52/12/507585212.db2.gz XIBQYXOZSKKLHG-NQIIRXRSSA-N 1 1 354.498 3.232 20 30 FGEDMO N#Cc1sccc1N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000595629555 507601627 /nfs/dbraw/zinc/60/16/27/507601627.db2.gz GLKOAMQFQHZVGK-SFHVURJKSA-N 1 1 352.507 3.016 20 30 FGEDMO N#Cc1sccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000595629553 507602021 /nfs/dbraw/zinc/60/20/21/507602021.db2.gz GLKOAMQFQHZVGK-GOSISDBHSA-N 1 1 352.507 3.016 20 30 FGEDMO C[C@@H]1[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000595636761 507606998 /nfs/dbraw/zinc/60/69/98/507606998.db2.gz ISZFUBHDTNOTPF-UTKZUKDTSA-N 1 1 362.477 3.063 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCc3ccc(O)cc3CC2)c1C#N ZINC000611347862 507631638 /nfs/dbraw/zinc/63/16/38/507631638.db2.gz QPOLZKXQOLJCIC-UHFFFAOYSA-N 1 1 358.445 3.359 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCc3ccc(O)cc3CC2)c1C#N ZINC000611347862 507631642 /nfs/dbraw/zinc/63/16/42/507631642.db2.gz QPOLZKXQOLJCIC-UHFFFAOYSA-N 1 1 358.445 3.359 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1C#N ZINC000611348700 507634758 /nfs/dbraw/zinc/63/47/58/507634758.db2.gz FZVMMTYDRIZIJJ-SFHVURJKSA-N 1 1 350.466 3.301 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595746552 507661008 /nfs/dbraw/zinc/66/10/08/507661008.db2.gz CCPCICWEQBCTCK-ZWKOTPCHSA-N 1 1 369.490 3.046 20 30 FGEDMO C[C@@]12COC[C@H]1C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000595756230 507669574 /nfs/dbraw/zinc/66/95/74/507669574.db2.gz FOWKBDFZGPKYPR-JLTOFOAXSA-N 1 1 373.522 3.186 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000614843043 507672392 /nfs/dbraw/zinc/67/23/92/507672392.db2.gz IIAKSOGSSPMNES-NRFANRHFSA-N 1 1 359.473 3.323 20 30 FGEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)cnc12 ZINC000592496690 507680114 /nfs/dbraw/zinc/68/01/14/507680114.db2.gz DOKDNVYCPNJDME-HNNXBMFYSA-N 1 1 358.405 3.122 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000595781007 507682162 /nfs/dbraw/zinc/68/21/62/507682162.db2.gz OSOZWNVIORAWEM-CVEARBPZSA-N 1 1 363.889 3.394 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000595781007 507682169 /nfs/dbraw/zinc/68/21/69/507682169.db2.gz OSOZWNVIORAWEM-CVEARBPZSA-N 1 1 363.889 3.394 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000607360455 507702092 /nfs/dbraw/zinc/70/20/92/507702092.db2.gz GKOMEEPBZJXPSN-GJZGRUSLSA-N 1 1 350.890 3.294 20 30 FGEDMO COc1ccc(CCC(=O)N2CCC[N@@H+](C[C@H](C)CCC#N)CC2)cc1 ZINC000602453182 507714752 /nfs/dbraw/zinc/71/47/52/507714752.db2.gz GLJAMTRWHLPSMW-GOSISDBHSA-N 1 1 357.498 3.102 20 30 FGEDMO N#Cc1ccc(NCC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000587991890 507726531 /nfs/dbraw/zinc/72/65/31/507726531.db2.gz HPFFZZYBTBFZKM-QHCPKHFHSA-N 1 1 374.488 3.095 20 30 FGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@](C)(C(F)F)O1 ZINC000595914328 507740555 /nfs/dbraw/zinc/74/05/55/507740555.db2.gz GWRBGFMMGQRZRX-DIFFPNOSSA-N 1 1 371.815 3.285 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@](C)(C(F)F)O1 ZINC000595914328 507740564 /nfs/dbraw/zinc/74/05/64/507740564.db2.gz GWRBGFMMGQRZRX-DIFFPNOSSA-N 1 1 371.815 3.285 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)s1 ZINC000595921076 507746853 /nfs/dbraw/zinc/74/68/53/507746853.db2.gz SPMYDPYGRBSPAF-OAHLLOKOSA-N 1 1 358.438 3.300 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)s1 ZINC000595921076 507746859 /nfs/dbraw/zinc/74/68/59/507746859.db2.gz SPMYDPYGRBSPAF-OAHLLOKOSA-N 1 1 358.438 3.300 20 30 FGEDMO C=CC[C@@H]1N(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2CC)CCCC1(C)C ZINC000669134174 568132012 /nfs/dbraw/zinc/13/20/12/568132012.db2.gz NGHMSDQZODGPAI-SQNIBIBYSA-N 1 1 373.545 3.405 20 30 FGEDMO C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827951304 601305014 /nfs/dbraw/zinc/30/50/14/601305014.db2.gz XBNZUHDXTNMKEO-HRAATJIYSA-N 1 1 363.461 3.499 20 30 FGEDMO C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722684 601321884 /nfs/dbraw/zinc/32/18/84/601321884.db2.gz HOGUENOZTQDXRD-TZIWHRDSSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722684 601321886 /nfs/dbraw/zinc/32/18/86/601321886.db2.gz HOGUENOZTQDXRD-TZIWHRDSSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722684 601321888 /nfs/dbraw/zinc/32/18/88/601321888.db2.gz HOGUENOZTQDXRD-TZIWHRDSSA-N 1 1 363.461 3.138 20 30 FGEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825428749 607518875 /nfs/dbraw/zinc/51/88/75/607518875.db2.gz SQAARWHPNXXLSM-CQSZACIVSA-N 1 1 362.437 3.330 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000822801386 606452012 /nfs/dbraw/zinc/45/20/12/606452012.db2.gz IICKGLIRQGOVFI-WOJBJXKFSA-N 1 1 374.448 3.017 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000822801386 606452013 /nfs/dbraw/zinc/45/20/13/606452013.db2.gz IICKGLIRQGOVFI-WOJBJXKFSA-N 1 1 374.448 3.017 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826186966 608465962 /nfs/dbraw/zinc/46/59/62/608465962.db2.gz SCQGQVUBDPSUMP-UHFFFAOYSA-N 1 1 372.432 3.036 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826186966 608465964 /nfs/dbraw/zinc/46/59/64/608465964.db2.gz SCQGQVUBDPSUMP-UHFFFAOYSA-N 1 1 372.432 3.036 20 30 FGEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000073871557 695974501 /nfs/dbraw/zinc/97/45/01/695974501.db2.gz FDVFKNJEABZHOM-LJQANCHMSA-N 1 1 359.832 3.206 20 30 FGEDMO Cc1nc(CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C)sc1C ZINC000088520566 700379597 /nfs/dbraw/zinc/37/95/97/700379597.db2.gz SHCCDQSEVAIUPZ-SNVBAGLBSA-N 1 1 356.492 3.052 20 30 FGEDMO C=C(Br)CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000118029478 700607128 /nfs/dbraw/zinc/60/71/28/700607128.db2.gz SJLVITXXEJMFNU-CYBMUJFWSA-N 1 1 368.275 3.110 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000127522169 700762658 /nfs/dbraw/zinc/76/26/58/700762658.db2.gz WSGGINYJSFJKQW-GOSISDBHSA-N 1 1 357.251 3.412 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000127522169 700762659 /nfs/dbraw/zinc/76/26/59/700762659.db2.gz WSGGINYJSFJKQW-GOSISDBHSA-N 1 1 357.251 3.412 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1=S ZINC000165147056 705336858 /nfs/dbraw/zinc/33/68/58/705336858.db2.gz WGAUIYOVSHIVJF-MRXNPFEDSA-N 1 1 358.511 3.116 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)c1=S ZINC000165147056 705336871 /nfs/dbraw/zinc/33/68/71/705336871.db2.gz WGAUIYOVSHIVJF-MRXNPFEDSA-N 1 1 358.511 3.116 20 30 FGEDMO Cc1nc(C(F)(F)F)c(CON=C(N)C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000184200886 705923189 /nfs/dbraw/zinc/92/31/89/705923189.db2.gz SCYRUKUJFUOWQC-VIFPVBQESA-N 1 1 350.410 3.134 20 30 FGEDMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2nc(C)cc(C)c2C#N)C1 ZINC000192790641 712873411 /nfs/dbraw/zinc/87/34/11/712873411.db2.gz IXRZZFOQDCJMMF-MRXNPFEDSA-N 1 1 355.511 3.293 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000522096395 714169738 /nfs/dbraw/zinc/16/97/38/714169738.db2.gz ASVGNBZOKCODTH-MJGOQNOKSA-N 1 1 356.853 3.441 20 30 FGEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000523008229 714216346 /nfs/dbraw/zinc/21/63/46/714216346.db2.gz LFFUCXAFPNFOLN-HNNXBMFYSA-N 1 1 355.869 3.391 20 30 FGEDMO C[C@H](Nc1ncc(C#N)cc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000525462013 714355125 /nfs/dbraw/zinc/35/51/25/714355125.db2.gz VCQJZDIEXQMFHQ-KSSFIOAISA-N 1 1 356.857 3.308 20 30 FGEDMO C[C@H](Nc1ncc(C#N)cc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000525462013 714355130 /nfs/dbraw/zinc/35/51/30/714355130.db2.gz VCQJZDIEXQMFHQ-KSSFIOAISA-N 1 1 356.857 3.308 20 30 FGEDMO C=CCOc1c(Br)cc(CN[C@@H](C)C[NH+](C)C)cc1OCC ZINC000579757821 714497188 /nfs/dbraw/zinc/49/71/88/714497188.db2.gz IPEVWEJSTXPDTE-ZDUSSCGKSA-N 1 1 371.319 3.452 20 30 FGEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@](F)(C#N)C3)c2c1C ZINC000615532154 714533026 /nfs/dbraw/zinc/53/30/26/714533026.db2.gz VSCVLLVLXPINQS-SFHVURJKSA-N 1 1 359.474 3.346 20 30 FGEDMO CC[N@@H+](CCNC(=O)N[C@H](C)c1cccc(C#N)c1)CCC(F)(F)F ZINC000617299090 714644002 /nfs/dbraw/zinc/64/40/02/714644002.db2.gz YCYZXOSHLGMACB-CYBMUJFWSA-N 1 1 356.392 3.193 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC(F)(F)CC2)c(OC)c1 ZINC000625767229 715786456 /nfs/dbraw/zinc/78/64/56/715786456.db2.gz OTJMULMWWVOPNC-INIZCTEOSA-N 1 1 355.425 3.285 20 30 FGEDMO C=C(C)CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000626383623 715897341 /nfs/dbraw/zinc/89/73/41/715897341.db2.gz WEUGHKTVCJPFJY-QZTJIDSGSA-N 1 1 355.507 3.393 20 30 FGEDMO CC#CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000626388285 715898200 /nfs/dbraw/zinc/89/82/00/715898200.db2.gz JTIJPTNNVFBCMM-RTBURBONSA-N 1 1 352.503 3.493 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)cc1OC ZINC000628117478 716111283 /nfs/dbraw/zinc/11/12/83/716111283.db2.gz KFMCQJSIVSPVLO-OAHLLOKOSA-N 1 1 366.889 3.262 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CC2(C)COC2)cc1OC ZINC000628423558 716154193 /nfs/dbraw/zinc/15/41/93/716154193.db2.gz ZTKURBHWECGDBI-UHFFFAOYSA-N 1 1 370.287 3.491 20 30 FGEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000648073084 718397702 /nfs/dbraw/zinc/39/77/02/718397702.db2.gz AXJCDTVNPWBRNE-ZDUSSCGKSA-N 1 1 372.284 3.345 20 30 FGEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000648073084 718397703 /nfs/dbraw/zinc/39/77/03/718397703.db2.gz AXJCDTVNPWBRNE-ZDUSSCGKSA-N 1 1 372.284 3.345 20 30 FGEDMO N#Cc1cc2c(nc1N1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCOC2 ZINC001164629961 719105929 /nfs/dbraw/zinc/10/59/29/719105929.db2.gz UVSNFFUDOAJLPX-AVRDEDQJSA-N 1 1 374.488 3.127 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660657630 720092129 /nfs/dbraw/zinc/09/21/29/720092129.db2.gz YWKIDIWWRMGNDT-HXUWFJFHSA-N 1 1 359.539 3.321 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)Cc1ccc(OC(F)F)cc1 ZINC000662082134 720373530 /nfs/dbraw/zinc/37/35/30/720373530.db2.gz YFVCYJJBLIFFJJ-IYBDPMFKSA-N 1 1 350.409 3.429 20 30 FGEDMO C=CCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H](C)COC ZINC000663455363 720517270 /nfs/dbraw/zinc/51/72/70/720517270.db2.gz JSKBHIQTORXGPE-WMLDXEAASA-N 1 1 353.894 3.175 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cc3cc(Br)ccc3o2)C1=O ZINC000668100234 721239802 /nfs/dbraw/zinc/23/98/02/721239802.db2.gz GRFFNOHFRLPITG-OAHLLOKOSA-N 1 1 363.255 3.414 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc3cc(Br)ccc3o2)C1=O ZINC000668100234 721239807 /nfs/dbraw/zinc/23/98/07/721239807.db2.gz GRFFNOHFRLPITG-OAHLLOKOSA-N 1 1 363.255 3.414 20 30 FGEDMO C=CCCOCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677821307 721918052 /nfs/dbraw/zinc/91/80/52/721918052.db2.gz XAIXHRQNHDGAFD-KSSFIOAISA-N 1 1 354.853 3.181 20 30 FGEDMO N#Cc1cnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C#N)c1 ZINC001164993290 722196744 /nfs/dbraw/zinc/19/67/44/722196744.db2.gz FGTDELNNDBJCEQ-OAQYLSRUSA-N 1 1 361.424 3.209 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000729811976 722462747 /nfs/dbraw/zinc/46/27/47/722462747.db2.gz ICMLAMHHYFTGNJ-QGZVFWFLSA-N 1 1 357.841 3.089 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000729811976 722462748 /nfs/dbraw/zinc/46/27/48/722462748.db2.gz ICMLAMHHYFTGNJ-QGZVFWFLSA-N 1 1 357.841 3.089 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000730542925 722469063 /nfs/dbraw/zinc/46/90/63/722469063.db2.gz AAHATVWQYHWZTN-HOTGVXAUSA-N 1 1 351.277 3.264 20 30 FGEDMO C#CC[N@@H+](CCn1cccn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195469 722493692 /nfs/dbraw/zinc/49/36/92/722493692.db2.gz OHMORLLSUDCWTM-INIZCTEOSA-N 1 1 360.255 3.105 20 30 FGEDMO C#CC[N@H+](CCn1cccn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195469 722493693 /nfs/dbraw/zinc/49/36/93/722493693.db2.gz OHMORLLSUDCWTM-INIZCTEOSA-N 1 1 360.255 3.105 20 30 FGEDMO C=CCCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000736589715 722523672 /nfs/dbraw/zinc/52/36/72/722523672.db2.gz LOYUWPTVWHIEHZ-KRWDZBQOSA-N 1 1 353.825 3.102 20 30 FGEDMO C=CCCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O ZINC000736589715 722523673 /nfs/dbraw/zinc/52/36/73/722523673.db2.gz LOYUWPTVWHIEHZ-KRWDZBQOSA-N 1 1 353.825 3.102 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000743871031 722572124 /nfs/dbraw/zinc/57/21/24/722572124.db2.gz NAXSPGLMRJOXAG-UHFFFAOYSA-N 1 1 369.303 3.401 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000744370971 722576293 /nfs/dbraw/zinc/57/62/93/722576293.db2.gz HNBRKUSXIKZEOR-UHFFFAOYSA-N 1 1 350.915 3.380 20 30 FGEDMO CC[N@H+](CCc1ccccn1)CC(=O)Nc1ccccc1SCC#N ZINC000744390115 722576591 /nfs/dbraw/zinc/57/65/91/722576591.db2.gz RPUJVKAQIANTIY-UHFFFAOYSA-N 1 1 354.479 3.200 20 30 FGEDMO CC[N@@H+](CCc1ccccn1)CC(=O)Nc1ccccc1SCC#N ZINC000744390115 722576592 /nfs/dbraw/zinc/57/65/92/722576592.db2.gz RPUJVKAQIANTIY-UHFFFAOYSA-N 1 1 354.479 3.200 20 30 FGEDMO COc1ccc(C[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)cc1C#N ZINC000746740734 722616900 /nfs/dbraw/zinc/61/69/00/722616900.db2.gz HKCSVBBCACAYGA-UHFFFAOYSA-N 1 1 355.829 3.100 20 30 FGEDMO C=C(C)CNC(=S)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000747721026 722658318 /nfs/dbraw/zinc/65/83/18/722658318.db2.gz JZTFDXWBHYQVCV-APWZRJJASA-N 1 1 360.571 3.373 20 30 FGEDMO C=C(C)CNC(=S)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000747721026 722658320 /nfs/dbraw/zinc/65/83/20/722658320.db2.gz JZTFDXWBHYQVCV-APWZRJJASA-N 1 1 360.571 3.373 20 30 FGEDMO C=C(Br)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000749561768 722733085 /nfs/dbraw/zinc/73/30/85/722733085.db2.gz IIFPSOBPKGJGDN-BBRMVZONSA-N 1 1 366.303 3.105 20 30 FGEDMO C[C@H](C(=O)OCc1ccc(C#N)cc1OC(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000752555544 722862195 /nfs/dbraw/zinc/86/21/95/722862195.db2.gz RNALGEWPOJGRPT-FRRDWIJNSA-N 1 1 352.381 3.464 20 30 FGEDMO Clc1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c(Br)c1 ZINC000753939829 722919245 /nfs/dbraw/zinc/91/92/45/722919245.db2.gz RBVHGFCWBXLIEN-STQMWFEESA-N 1 1 355.667 3.296 20 30 FGEDMO CCCOc1c(Cl)cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1OC ZINC000753938820 722919282 /nfs/dbraw/zinc/91/92/82/722919282.db2.gz MQXGKAYIZQRCQX-GASCZTMLSA-N 1 1 364.877 3.331 20 30 FGEDMO C[C@@H](C#N)C[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000753978083 722921381 /nfs/dbraw/zinc/92/13/81/722921381.db2.gz VADULBJQTMQXRO-LBPRGKRZSA-N 1 1 360.255 3.346 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000754701766 722944691 /nfs/dbraw/zinc/94/46/91/722944691.db2.gz MIFPUWVDVLSIDS-CYBMUJFWSA-N 1 1 350.447 3.135 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000790661673 723165415 /nfs/dbraw/zinc/16/54/15/723165415.db2.gz KOLOGKKTZKMXQN-YOEHRIQHSA-N 1 1 352.400 3.246 20 30 FGEDMO C#C[C@@H](CCC)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000791744960 723276952 /nfs/dbraw/zinc/27/69/52/723276952.db2.gz FBZIMSBSJBBYRK-FUHWJXTLSA-N 1 1 352.400 3.359 20 30 FGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000773704514 723815369 /nfs/dbraw/zinc/81/53/69/723815369.db2.gz XJSYOYBGZPTJLW-GJZGRUSLSA-N 1 1 354.479 3.297 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)C1=O ZINC000799128240 723990044 /nfs/dbraw/zinc/99/00/44/723990044.db2.gz NOZZJWILWAXRPP-ROUUACIJSA-N 1 1 356.491 3.071 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190043 723996985 /nfs/dbraw/zinc/99/69/85/723996985.db2.gz JDJMAEKYKDSDQG-ZFWWWQNUSA-N 1 1 354.841 3.423 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190043 723996987 /nfs/dbraw/zinc/99/69/87/723996987.db2.gz JDJMAEKYKDSDQG-ZFWWWQNUSA-N 1 1 354.841 3.423 20 30 FGEDMO C[C@H]1CCOCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000775569064 724001284 /nfs/dbraw/zinc/00/12/84/724001284.db2.gz LLKIHGBUDKADGQ-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO CC(=NNCCC[NH+]1CCOCC1)c1csc(-c2csc(C)n2)c1 ZINC000799489884 724034374 /nfs/dbraw/zinc/03/43/74/724034374.db2.gz GNURHKAXBAYMNM-UHFFFAOYSA-N 1 1 364.540 3.216 20 30 FGEDMO C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2Br)C[N@H+]1C1CC1 ZINC000777451472 724227625 /nfs/dbraw/zinc/22/76/25/724227625.db2.gz MUDRXTKARXIVTP-SECBINFHSA-N 1 1 353.220 3.382 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000778166131 724305570 /nfs/dbraw/zinc/30/55/70/724305570.db2.gz ZBDDGYCZKQBLGO-UHFFFAOYSA-N 1 1 352.825 3.223 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000778168672 724305794 /nfs/dbraw/zinc/30/57/94/724305794.db2.gz FVTMNKUDADIVKQ-INIZCTEOSA-N 1 1 351.780 3.453 20 30 FGEDMO C[C@H](C#N)OCC[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000801923436 724346537 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C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000809663086 725257444 /nfs/dbraw/zinc/25/74/44/725257444.db2.gz KKKGOUXUCLISSU-CQSZACIVSA-N 1 1 356.857 3.104 20 30 FGEDMO CON=CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000809757711 725265618 /nfs/dbraw/zinc/26/56/18/725265618.db2.gz RMDAZWPLBKVBNY-GDBMZVCRSA-N 1 1 355.841 3.141 20 30 FGEDMO CON=CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000809757711 725265621 /nfs/dbraw/zinc/26/56/21/725265621.db2.gz RMDAZWPLBKVBNY-GDBMZVCRSA-N 1 1 355.841 3.141 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1 ZINC000811515335 725372132 /nfs/dbraw/zinc/37/21/32/725372132.db2.gz YKAWQJTVYDAXOE-HNNXBMFYSA-N 1 1 356.388 3.142 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)c1cccc(Br)c1 ZINC000813067653 726835260 /nfs/dbraw/zinc/83/52/60/726835260.db2.gz QOQSXJQJUVEBMG-CZUORRHYSA-N 1 1 350.256 3.193 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000813250905 726855304 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351.853 3.279 20 30 FGEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2cc(Br)ccc2F)no1 ZINC000822925952 729233196 /nfs/dbraw/zinc/23/31/96/729233196.db2.gz OILGIQDRAFMBQO-GFCCVEGCSA-N 1 1 353.195 3.256 20 30 FGEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2c(F)ccc(Br)c2F)no1 ZINC000823184800 729260511 /nfs/dbraw/zinc/26/05/11/729260511.db2.gz JFWWPHUZTMFPGF-LLVKDONJSA-N 1 1 371.185 3.395 20 30 FGEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000823423660 729279166 /nfs/dbraw/zinc/27/91/66/729279166.db2.gz MYERILJOWMADFA-INIZCTEOSA-N 1 1 359.466 3.468 20 30 FGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000823423660 729279168 /nfs/dbraw/zinc/27/91/68/729279168.db2.gz MYERILJOWMADFA-INIZCTEOSA-N 1 1 359.466 3.468 20 30 FGEDMO CCCCCCCS(=O)(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000828121671 729440264 /nfs/dbraw/zinc/44/02/64/729440264.db2.gz HGFAGHZOXDSDIJ-MOPGFXCFSA-N 1 1 352.544 3.222 20 30 FGEDMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000831107267 729618729 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FGEDMO C#CC[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1CCc2ccccc21 ZINC000844281991 730697990 /nfs/dbraw/zinc/69/79/90/730697990.db2.gz QXCWLDJPGPQIQE-LJQANCHMSA-N 1 1 374.893 3.110 20 30 FGEDMO C#CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1CCc2ccccc21 ZINC000844281991 730697994 /nfs/dbraw/zinc/69/79/94/730697994.db2.gz QXCWLDJPGPQIQE-LJQANCHMSA-N 1 1 374.893 3.110 20 30 FGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462103 730722149 /nfs/dbraw/zinc/72/21/49/730722149.db2.gz VXEIDEMYHYHEJL-KSZLIROESA-N 1 1 350.503 3.327 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C#Cc3cccs3)C2)s1 ZINC000846099899 730928817 /nfs/dbraw/zinc/92/88/17/730928817.db2.gz AIYRXFHSVBXNMO-INIZCTEOSA-N 1 1 358.532 3.450 20 30 FGEDMO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nc1 ZINC000846103164 730929120 /nfs/dbraw/zinc/92/91/20/730929120.db2.gz YUAJFGDBVXVOPK-QGZVFWFLSA-N 1 1 353.491 3.027 20 30 FGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000847026646 731008478 /nfs/dbraw/zinc/00/84/78/731008478.db2.gz QJBYBTHAIUEDQE-UONOGXRCSA-N 1 1 354.372 3.108 20 30 FGEDMO N#CCCCC[C@H]([NH3+])c1nc(Cc2cc(Cl)c3c(c2)OCCO3)no1 ZINC000848624296 731188850 /nfs/dbraw/zinc/18/88/50/731188850.db2.gz LLAXRRQNFCVYRV-ZDUSSCGKSA-N 1 1 362.817 3.169 20 30 FGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2cccc(OCC(F)(F)F)n2)no1 ZINC000848626359 731189512 /nfs/dbraw/zinc/18/95/12/731189512.db2.gz QUJLKXLOWNBHHS-JTQLQIEISA-N 1 1 355.320 3.156 20 30 FGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2nc(Br)ccc2F)no1 ZINC000848633099 731190242 /nfs/dbraw/zinc/19/02/42/731190242.db2.gz ZQKAANAHYRGDGA-SECBINFHSA-N 1 1 354.183 3.117 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(CNC(C)=O)cc1 ZINC000850342470 731344473 /nfs/dbraw/zinc/34/44/73/731344473.db2.gz KBIOGGZDDRYJJC-UHFFFAOYSA-N 1 1 356.853 3.278 20 30 FGEDMO C[C@@H]1CO[C@@H](COC(=O)c2cc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000851413705 731457136 /nfs/dbraw/zinc/45/71/36/731457136.db2.gz UXEJIRIZANFWNB-RHSMWYFYSA-N 1 1 356.447 3.066 20 30 FGEDMO C[C@@H]1CO[C@@H](COC(=O)c2cc(C#N)cs2)C[N@H+]1Cc1ccccc1 ZINC000851413705 731457138 /nfs/dbraw/zinc/45/71/38/731457138.db2.gz UXEJIRIZANFWNB-RHSMWYFYSA-N 1 1 356.447 3.066 20 30 FGEDMO C[N@H+](Cc1cccc(F)c1OC(F)F)C[C@@H](O)c1cccc(C#N)c1 ZINC000852211057 731556340 /nfs/dbraw/zinc/55/63/40/731556340.db2.gz NSTHTELQIAJYPR-MRXNPFEDSA-N 1 1 350.340 3.464 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC000852597654 731607306 /nfs/dbraw/zinc/60/73/06/731607306.db2.gz HPDDIAJEXKKRLC-IXDOHACOSA-N 1 1 353.507 3.320 20 30 FGEDMO C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000854818643 731863990 /nfs/dbraw/zinc/86/39/90/731863990.db2.gz OBAWGUJOICYGJN-ZDUSSCGKSA-N 1 1 358.873 3.081 20 30 FGEDMO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856778404 732059001 /nfs/dbraw/zinc/05/90/01/732059001.db2.gz LCKXDUFCTJWINY-SNVBAGLBSA-N 1 1 362.783 3.167 20 30 FGEDMO c1cnc2sc(N=NCC3(C[NH+]4CCOCC4)CCCCC3)nc2c1 ZINC000857218325 732112868 /nfs/dbraw/zinc/11/28/68/732112868.db2.gz JDNDQJKHSXLRDT-UHFFFAOYSA-N 1 1 359.499 3.372 20 30 FGEDMO C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1 ZINC000860037509 732438343 /nfs/dbraw/zinc/43/83/43/732438343.db2.gz VZBQWFOEAJJHNU-AJNGGQMLSA-N 1 1 371.319 3.472 20 30 FGEDMO C=CCOc1c(Cl)cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1OC ZINC000863104281 732915147 /nfs/dbraw/zinc/91/51/47/732915147.db2.gz ZTBYEQBAXDIVNI-HUUCEWRRSA-N 1 1 362.861 3.107 20 30 FGEDMO CCOC(=O)c1sc(C2CC[NH+](Cc3ccc(C#N)o3)CC2)nc1C ZINC000877761180 736715743 /nfs/dbraw/zinc/71/57/43/736715743.db2.gz CYCYGVMYUOCZML-UHFFFAOYSA-N 1 1 359.451 3.473 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCSC[C@@H]2c2ccccc2)CCOCC1 ZINC000880388711 737168734 /nfs/dbraw/zinc/16/87/34/737168734.db2.gz NGVQDLZMSPQTJG-RTBURBONSA-N 1 1 360.523 3.238 20 30 FGEDMO CSc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1C#N ZINC000884215820 737644028 /nfs/dbraw/zinc/64/40/28/737644028.db2.gz BLLUTUHSLCZLLD-MRXNPFEDSA-N 1 1 360.527 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/nfs/dbraw/zinc/74/05/02/742740502.db2.gz DGDIGLLERAPIKE-SECBINFHSA-N 1 1 365.197 3.420 20 30 FGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000899975556 743036432 /nfs/dbraw/zinc/03/64/32/743036432.db2.gz LWXYNCIRFLTACX-UHFFFAOYSA-N 1 1 369.962 3.332 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1cc(C#N)ccn1 ZINC000902817975 743777764 /nfs/dbraw/zinc/77/77/64/743777764.db2.gz HKLLFFXZMUXNBX-BBRMVZONSA-N 1 1 354.841 3.453 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2cccs2)CC1(C)C ZINC000941047199 762171824 /nfs/dbraw/zinc/17/18/24/762171824.db2.gz YTYNQWCCHQWREN-FGTMMUONSA-N 1 1 362.539 3.098 20 30 FGEDMO Cc1ccc(NC(=S)N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000915923586 758004171 /nfs/dbraw/zinc/00/41/71/758004171.db2.gz UERQDEQLGCUEJX-UHFFFAOYSA-N 1 1 354.479 3.152 20 30 FGEDMO CC[NH+]1CCN(C(=O)c2ccc(NCc3csc(C#N)c3)cc2)CC1 ZINC000922329085 758894099 /nfs/dbraw/zinc/89/40/99/758894099.db2.gz QNMIQLYJKZVBNN-UHFFFAOYSA-N 1 1 354.479 3.010 20 30 FGEDMO CC[C@@H]([NH2+]Cc1ccc(Cl)c(C(=O)OC)n1)c1cccc(C#N)c1O ZINC000926694484 759804797 /nfs/dbraw/zinc/80/47/97/759804797.db2.gz XJCJNFLZJVRCDJ-OAHLLOKOSA-N 1 1 359.813 3.340 20 30 FGEDMO N#Cc1cncc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000930303251 760573815 /nfs/dbraw/zinc/57/38/15/760573815.db2.gz WFESWXXZMQJVQE-HNNXBMFYSA-N 1 1 355.747 3.449 20 30 FGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000930519401 760632083 /nfs/dbraw/zinc/63/20/83/760632083.db2.gz IXLHGRDCLCUVQB-CQSZACIVSA-N 1 1 353.388 3.066 20 30 FGEDMO N#Cc1ccsc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000931846258 760982144 /nfs/dbraw/zinc/98/21/44/760982144.db2.gz SJSAZERQWDABOW-UHFFFAOYSA-N 1 1 358.442 3.499 20 30 FGEDMO N#Cc1ccsc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000931846258 760982149 /nfs/dbraw/zinc/98/21/49/760982149.db2.gz SJSAZERQWDABOW-UHFFFAOYSA-N 1 1 358.442 3.499 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932203553 761084881 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C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001048567417 766721161 /nfs/dbraw/zinc/72/11/61/766721161.db2.gz HTVDWGRTGDSOIY-YCVVXREPSA-N 1 1 359.901 3.297 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001048573950 766721717 /nfs/dbraw/zinc/72/17/17/766721717.db2.gz KOHLUDYLXYACKV-QKDSSNGWSA-N 1 1 352.494 3.075 20 30 FGEDMO C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001049529382 766791691 /nfs/dbraw/zinc/79/16/91/766791691.db2.gz LPUSIRPIVPILRT-VQHPVUNQSA-N 1 1 356.432 3.444 20 30 FGEDMO C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001049529383 766792293 /nfs/dbraw/zinc/79/22/93/766792293.db2.gz LPUSIRPIVPILRT-WCXIOVBPSA-N 1 1 356.432 3.444 20 30 FGEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC001049551478 766793094 /nfs/dbraw/zinc/79/30/94/766793094.db2.gz GPSNKXBLUMCMAL-TWMKSMIVSA-N 1 1 356.432 3.444 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc2c1CC[N@@H+](C/C=C\Cl)C2 ZINC001051301009 766883307 /nfs/dbraw/zinc/88/33/07/766883307.db2.gz URYUBVGHYOJRDM-ANDKOVADSA-N 1 1 360.885 3.005 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NCc1cccc2c1CC[N@H+](C/C=C\Cl)C2 ZINC001051301009 766883356 /nfs/dbraw/zinc/88/33/56/766883356.db2.gz URYUBVGHYOJRDM-ANDKOVADSA-N 1 1 360.885 3.005 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001052785624 766927296 /nfs/dbraw/zinc/92/72/96/766927296.db2.gz JLSAPRXITKPHIS-WDSOQIARSA-N 1 1 362.539 3.243 20 30 FGEDMO C[C@H]1[C@H](NC(=O)NCc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000579587008 505581599 /nfs/dbraw/zinc/58/15/99/505581599.db2.gz QOIZGJSRXWBDLV-LAUBAEHRSA-N 1 1 362.477 3.215 20 30 FGEDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(C3(c4cc(F)cc(C#N)c4)CC3)n1)OC2 ZINC000568327392 505666535 /nfs/dbraw/zinc/66/65/35/505666535.db2.gz YIDJHDZTVPYMFV-VQIMIIECSA-N 1 1 368.412 3.086 20 30 FGEDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(C3(c4cc(F)cc(C#N)c4)CC3)n1)OC2 ZINC000568327392 505666536 /nfs/dbraw/zinc/66/65/36/505666536.db2.gz YIDJHDZTVPYMFV-VQIMIIECSA-N 1 1 368.412 3.086 20 30 FGEDMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000568339690 505669379 /nfs/dbraw/zinc/66/93/79/505669379.db2.gz CKFQQEKSEHDFPP-LJQANCHMSA-N 1 1 363.461 3.460 20 30 FGEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000568340924 505670042 /nfs/dbraw/zinc/67/00/42/505670042.db2.gz UCUDASRXZVRMKI-SJLPKXTDSA-N 1 1 354.502 3.083 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)CN(C)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000075860279 493787473 /nfs/dbraw/zinc/78/74/73/493787473.db2.gz UCZYAWDWSUFRAW-FQEVSTJZSA-N 1 1 370.541 3.356 20 30 FGEDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000080916118 493790854 /nfs/dbraw/zinc/79/08/54/493790854.db2.gz LUJPPQOLMLLGGT-MRXNPFEDSA-N 1 1 350.466 3.326 20 30 FGEDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000080916118 493790855 /nfs/dbraw/zinc/79/08/55/493790855.db2.gz LUJPPQOLMLLGGT-MRXNPFEDSA-N 1 1 350.466 3.326 20 30 FGEDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000080916115 493791077 /nfs/dbraw/zinc/79/10/77/493791077.db2.gz LUJPPQOLMLLGGT-INIZCTEOSA-N 1 1 350.466 3.326 20 30 FGEDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000080916115 493791079 /nfs/dbraw/zinc/79/10/79/493791079.db2.gz LUJPPQOLMLLGGT-INIZCTEOSA-N 1 1 350.466 3.326 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000028620772 493794733 /nfs/dbraw/zinc/79/47/33/493794733.db2.gz GAQFWRUYKZSWAY-UHFFFAOYSA-N 1 1 366.421 3.187 20 30 FGEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1OC ZINC000081293697 493862283 /nfs/dbraw/zinc/86/22/83/493862283.db2.gz FHHDDONGBMMNLZ-GOSISDBHSA-N 1 1 358.482 3.254 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000030200821 493879997 /nfs/dbraw/zinc/87/99/97/493879997.db2.gz OTOHUNUKKUTQAQ-UHFFFAOYSA-N 1 1 357.255 3.038 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Br)o1 ZINC000030215415 493880435 /nfs/dbraw/zinc/88/04/35/493880435.db2.gz IPAPNEWLROYIRI-UHFFFAOYSA-N 1 1 368.256 3.436 20 30 FGEDMO C[N@@H+](CCCOc1ccc(F)cc1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000030268797 493883504 /nfs/dbraw/zinc/88/35/04/493883504.db2.gz HTFCYFWJSZLPNY-UHFFFAOYSA-N 1 1 355.413 3.427 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081533029 493911511 /nfs/dbraw/zinc/91/15/11/493911511.db2.gz WIKBXDSFMQDIRZ-UTKZUKDTSA-N 1 1 362.477 3.092 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000081570762 493918733 /nfs/dbraw/zinc/91/87/33/493918733.db2.gz MALCHGMWIMYMHK-HNNXBMFYSA-N 1 1 374.554 3.101 20 30 FGEDMO CCc1nc(C)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000050555900 493920980 /nfs/dbraw/zinc/92/09/80/493920980.db2.gz PQBYXJHCZWVLHD-UHFFFAOYSA-N 1 1 368.506 3.234 20 30 FGEDMO CCc1nc(C)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000050555900 493920983 /nfs/dbraw/zinc/92/09/83/493920983.db2.gz PQBYXJHCZWVLHD-UHFFFAOYSA-N 1 1 368.506 3.234 20 30 FGEDMO CCN(C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1)CC(F)(F)F ZINC000081582332 493922977 /nfs/dbraw/zinc/92/29/77/493922977.db2.gz QPJNUANQYLNJSF-INIZCTEOSA-N 1 1 355.404 3.143 20 30 FGEDMO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000081952911 493971402 /nfs/dbraw/zinc/97/14/02/493971402.db2.gz QSPSOCYDENXZJX-IBGZPJMESA-N 1 1 355.388 3.117 20 30 FGEDMO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000081952911 493971405 /nfs/dbraw/zinc/97/14/05/493971405.db2.gz QSPSOCYDENXZJX-IBGZPJMESA-N 1 1 355.388 3.117 20 30 FGEDMO N#Cc1ccc(F)c(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000081952908 493971674 /nfs/dbraw/zinc/97/16/74/493971674.db2.gz QSPSOCYDENXZJX-LJQANCHMSA-N 1 1 355.388 3.117 20 30 FGEDMO N#Cc1ccc(F)c(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000081952908 493971678 /nfs/dbraw/zinc/97/16/78/493971678.db2.gz QSPSOCYDENXZJX-LJQANCHMSA-N 1 1 355.388 3.117 20 30 FGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000076812274 493974846 /nfs/dbraw/zinc/97/48/46/493974846.db2.gz JUQZWXDCXIHTNF-BPAFIMBUSA-N 1 1 354.425 3.315 20 30 FGEDMO COc1ccccc1COC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000069520444 493978571 /nfs/dbraw/zinc/97/85/71/493978571.db2.gz AIWCFOUNYIYVKX-OAQYLSRUSA-N 1 1 368.477 3.355 20 30 FGEDMO CCC(CC)[C@H](CNC(=O)Nc1cc(C#N)ccc1C)[NH+]1CCOCC1 ZINC000069607133 493986125 /nfs/dbraw/zinc/98/61/25/493986125.db2.gz HNROVNZELNREKO-IBGZPJMESA-N 1 1 358.486 3.125 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3sccc3C#N)cc2)CC1 ZINC000052035047 494001622 /nfs/dbraw/zinc/00/16/22/494001622.db2.gz FQROTPFZABZANM-UHFFFAOYSA-N 1 1 354.479 3.010 20 30 FGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccc2c(c1)OCO2 ZINC000077248371 494041910 /nfs/dbraw/zinc/04/19/10/494041910.db2.gz HOVUSHXVYPAKTJ-UHFFFAOYSA-N 1 1 354.406 3.196 20 30 FGEDMO CCCOCc1ccccc1CNC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000052580505 494042667 /nfs/dbraw/zinc/04/26/67/494042667.db2.gz FDPXOOCXWUQVHA-UHFFFAOYSA-N 1 1 365.477 3.233 20 30 FGEDMO CCCOCc1ccccc1CNC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000052580505 494042670 /nfs/dbraw/zinc/04/26/70/494042670.db2.gz FDPXOOCXWUQVHA-UHFFFAOYSA-N 1 1 365.477 3.233 20 30 FGEDMO CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000052705870 494054453 /nfs/dbraw/zinc/05/44/53/494054453.db2.gz MUDZQYMBQBLPAH-QFBILLFUSA-N 1 1 354.450 3.390 20 30 FGEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCOCC1 ZINC000077323566 494057975 /nfs/dbraw/zinc/05/79/75/494057975.db2.gz PPSVCMRZGYFRRE-UHFFFAOYSA-N 1 1 361.511 3.326 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052801477 494062185 /nfs/dbraw/zinc/06/21/85/494062185.db2.gz NKWXNBZTAJSSGJ-UHFFFAOYSA-N 1 1 350.422 3.221 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)CCC2 ZINC000580187444 505699226 /nfs/dbraw/zinc/69/92/26/505699226.db2.gz YCIJTUJZJSLQOK-PBHICJAKSA-N 1 1 373.522 3.328 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC#Cc1ccccc1 ZINC000077530084 494106268 /nfs/dbraw/zinc/10/62/68/494106268.db2.gz IDZSMFXGVIXZRI-HXUWFJFHSA-N 1 1 361.489 3.344 20 30 FGEDMO Cc1ccc(C)c(OC2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000064631966 494139620 /nfs/dbraw/zinc/13/96/20/494139620.db2.gz NHVBXOHZDBHTEC-UHFFFAOYSA-N 1 1 369.509 3.489 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](CCO)C(C)C)c1C#N ZINC000085862393 494139896 /nfs/dbraw/zinc/13/98/96/494139896.db2.gz QTTRVGCNXARNDL-UHFFFAOYSA-N 1 1 360.502 3.123 20 30 FGEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571329860 505707449 /nfs/dbraw/zinc/70/74/49/505707449.db2.gz BPLWJPSDJSYTDJ-OAHLLOKOSA-N 1 1 367.405 3.278 20 30 FGEDMO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000072803091 494254352 /nfs/dbraw/zinc/25/43/52/494254352.db2.gz GZVQNNNIDUBZKZ-HXUWFJFHSA-N 1 1 351.454 3.195 20 30 FGEDMO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000072803091 494254356 /nfs/dbraw/zinc/25/43/56/494254356.db2.gz GZVQNNNIDUBZKZ-HXUWFJFHSA-N 1 1 351.454 3.195 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@H](Nc3nc(C)cc(C)c3C#N)C2)cc(OC)c1 ZINC000088751703 494258616 /nfs/dbraw/zinc/25/86/16/494258616.db2.gz NHPMXOPBBLKMJI-QGZVFWFLSA-N 1 1 366.465 3.274 20 30 FGEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1snc(Cl)c1C#N ZINC000078307356 494275448 /nfs/dbraw/zinc/27/54/48/494275448.db2.gz SYXXBPGXJURCTG-CYBMUJFWSA-N 1 1 361.902 3.291 20 30 FGEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1snc(Cl)c1C#N ZINC000078307355 494275633 /nfs/dbraw/zinc/27/56/33/494275633.db2.gz SYXXBPGXJURCTG-ZDUSSCGKSA-N 1 1 361.902 3.291 20 30 FGEDMO CCOC[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000072975263 494295767 /nfs/dbraw/zinc/29/57/67/494295767.db2.gz BUVHNCAMPGLYEN-QGZVFWFLSA-N 1 1 353.466 3.486 20 30 FGEDMO CCOC[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000072975263 494295771 /nfs/dbraw/zinc/29/57/71/494295771.db2.gz BUVHNCAMPGLYEN-QGZVFWFLSA-N 1 1 353.466 3.486 20 30 FGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000078455358 494298577 /nfs/dbraw/zinc/29/85/77/494298577.db2.gz BMAFORHHADQIHV-HNNXBMFYSA-N 1 1 353.426 3.325 20 30 FGEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000066541167 494352566 /nfs/dbraw/zinc/35/25/66/494352566.db2.gz AMRSELOGQRDARP-REWPJTCUSA-N 1 1 373.456 3.414 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073615871 494399933 /nfs/dbraw/zinc/39/99/33/494399933.db2.gz QLTIXYVJUFPVNF-BQIYRTECSA-N 1 1 352.482 3.309 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073615871 494399934 /nfs/dbraw/zinc/39/99/34/494399934.db2.gz QLTIXYVJUFPVNF-BQIYRTECSA-N 1 1 352.482 3.309 20 30 FGEDMO CC[NH+](CC)Cc1cccc(CN[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000079307440 494434508 /nfs/dbraw/zinc/43/45/08/494434508.db2.gz JHLITYJAZSCOFR-SFHVURJKSA-N 1 1 370.541 3.349 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079504173 494468411 /nfs/dbraw/zinc/46/84/11/494468411.db2.gz NRZINJNVRYODKP-NRFANRHFSA-N 1 1 362.477 3.364 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000074312044 494514988 /nfs/dbraw/zinc/51/49/88/494514988.db2.gz CSWCYFBXTKFZTH-NRFANRHFSA-N 1 1 363.461 3.259 20 30 FGEDMO C=CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1)Cc1ccc(OC)cc1 ZINC000056495314 494515937 /nfs/dbraw/zinc/51/59/37/494515937.db2.gz KQSWMQFFTIOGBS-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO C=CC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1)Cc1ccc(OC)cc1 ZINC000056495314 494515940 /nfs/dbraw/zinc/51/59/40/494515940.db2.gz KQSWMQFFTIOGBS-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO C=CCOCCCC(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000079776202 494523146 /nfs/dbraw/zinc/52/31/46/494523146.db2.gz SCUYTNKUDZMGOG-UHFFFAOYSA-N 1 1 373.497 3.341 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCc3sccc3C2)c(OC)c1 ZINC000022549893 494526413 /nfs/dbraw/zinc/52/64/13/494526413.db2.gz BIHRTFSLYZZXLX-QGZVFWFLSA-N 1 1 359.491 3.283 20 30 FGEDMO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518572 494535302 /nfs/dbraw/zinc/53/53/02/494535302.db2.gz KVZXMWACMBPUMG-JKSUJKDBSA-N 1 1 351.450 3.265 20 30 FGEDMO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518572 494535310 /nfs/dbraw/zinc/53/53/10/494535310.db2.gz KVZXMWACMBPUMG-JKSUJKDBSA-N 1 1 351.450 3.265 20 30 FGEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000023674163 494574907 /nfs/dbraw/zinc/57/49/07/494574907.db2.gz FFEIKMSHXSFUTM-RHSMWYFYSA-N 1 1 360.404 3.464 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccc(C#N)cc2)cc1F ZINC000067646531 494593257 /nfs/dbraw/zinc/59/32/57/494593257.db2.gz BCWPVRJENVZCFM-UHFFFAOYSA-N 1 1 363.396 3.191 20 30 FGEDMO C[C@@H]1C[N@H+](C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)CCO1 ZINC000091453581 494600333 /nfs/dbraw/zinc/60/03/33/494600333.db2.gz QWIGTIMIMJONPX-CQSZACIVSA-N 1 1 370.884 3.449 20 30 FGEDMO Cc1cc(C)c2ncc(C#N)c(N3CCC([N@@H+]4CCO[C@H](C)C4)CC3)c2c1 ZINC000091453829 494603505 /nfs/dbraw/zinc/60/35/05/494603505.db2.gz OCSOHKWWNYAZOY-QGZVFWFLSA-N 1 1 364.493 3.413 20 30 FGEDMO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000121192704 494640555 /nfs/dbraw/zinc/64/05/55/494640555.db2.gz RIVQSOMOCXEPHV-HNNXBMFYSA-N 1 1 374.485 3.482 20 30 FGEDMO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000121192704 494640564 /nfs/dbraw/zinc/64/05/64/494640564.db2.gz RIVQSOMOCXEPHV-HNNXBMFYSA-N 1 1 374.485 3.482 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)COc2ccccc2C#N)cc1 ZINC000080255595 494654459 /nfs/dbraw/zinc/65/44/59/494654459.db2.gz OAXBUJYIYOFCPO-HNNXBMFYSA-N 1 1 360.417 3.309 20 30 FGEDMO COc1cc(C)c(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000024805165 494665161 /nfs/dbraw/zinc/66/51/61/494665161.db2.gz WHRACAWMLVZNOC-UHFFFAOYSA-N 1 1 367.449 3.345 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000108339715 494684194 /nfs/dbraw/zinc/68/41/94/494684194.db2.gz GNYKAEMVGPJSGA-QGZVFWFLSA-N 1 1 363.461 3.209 20 30 FGEDMO Cc1cc(N2CCC(N(C)c3snc(Cl)c3C#N)CC2)nc(C)[nH+]1 ZINC000092641172 494691338 /nfs/dbraw/zinc/69/13/38/494691338.db2.gz FPVSNRYFDMQEOM-UHFFFAOYSA-N 1 1 362.890 3.180 20 30 FGEDMO CCn1nc(C)c(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c1C ZINC000092704443 494715679 /nfs/dbraw/zinc/71/56/79/494715679.db2.gz LUPZXNZGLXOTLK-UHFFFAOYSA-N 1 1 374.492 3.262 20 30 FGEDMO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000121365387 494720802 /nfs/dbraw/zinc/72/08/02/494720802.db2.gz BMELFQDXPNPCAA-GOSISDBHSA-N 1 1 368.412 3.102 20 30 FGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000121365387 494720809 /nfs/dbraw/zinc/72/08/09/494720809.db2.gz BMELFQDXPNPCAA-GOSISDBHSA-N 1 1 368.412 3.102 20 30 FGEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000057371709 494723511 /nfs/dbraw/zinc/72/35/11/494723511.db2.gz WGPQEQCTEINEOP-KRWDZBQOSA-N 1 1 364.367 3.449 20 30 FGEDMO CCC[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccc(C#N)cc1 ZINC000047740112 494767592 /nfs/dbraw/zinc/76/75/92/494767592.db2.gz VJMHXUPYSGNRDK-UHFFFAOYSA-N 1 1 353.491 3.417 20 30 FGEDMO Cc1ccccc1CN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000026249707 494812964 /nfs/dbraw/zinc/81/29/64/494812964.db2.gz ZBYZXLJFCXQLQS-UHFFFAOYSA-N 1 1 362.477 3.013 20 30 FGEDMO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1Cc1ccccc1 ZINC000577521116 505743928 /nfs/dbraw/zinc/74/39/28/505743928.db2.gz OCXVBKGZJIAUPU-GOSISDBHSA-N 1 1 353.853 3.211 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1Cc1ccccc1 ZINC000577521116 505743932 /nfs/dbraw/zinc/74/39/32/505743932.db2.gz OCXVBKGZJIAUPU-GOSISDBHSA-N 1 1 353.853 3.211 20 30 FGEDMO C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000132143533 494828314 /nfs/dbraw/zinc/82/83/14/494828314.db2.gz ALKIBXJYVYLKPE-MRXNPFEDSA-N 1 1 370.497 3.150 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000027207933 494856533 /nfs/dbraw/zinc/85/65/33/494856533.db2.gz ZUPKVGNQCQYOEU-FQEVSTJZSA-N 1 1 366.461 3.167 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000126935027 494865220 /nfs/dbraw/zinc/86/52/20/494865220.db2.gz NHYMLAZXEQCKDK-MGPUTAFESA-N 1 1 367.424 3.488 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000126935027 494865223 /nfs/dbraw/zinc/86/52/23/494865223.db2.gz NHYMLAZXEQCKDK-MGPUTAFESA-N 1 1 367.424 3.488 20 30 FGEDMO CN(Cc1cnc2ccc(C#N)cn12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336831 494873100 /nfs/dbraw/zinc/87/31/00/494873100.db2.gz ZGUIZUGSGFHEOD-HXUWFJFHSA-N 1 1 359.477 3.160 20 30 FGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CC[C@@H]21 ZINC000121909314 494887906 /nfs/dbraw/zinc/88/79/06/494887906.db2.gz NANNIEKMDLMSPY-HIFRSBDPSA-N 1 1 364.396 3.108 20 30 FGEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(CO)CC2)cc1OC ZINC000127071678 494889880 /nfs/dbraw/zinc/88/98/80/494889880.db2.gz IVYRSSRUWBCXMX-UHFFFAOYSA-N 1 1 370.287 3.227 20 30 FGEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)s1 ZINC000122123345 494927542 /nfs/dbraw/zinc/92/75/42/494927542.db2.gz HUBWTDOTZJONEA-HOCLYGCPSA-N 1 1 359.495 3.318 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000110650174 494998579 /nfs/dbraw/zinc/99/85/79/494998579.db2.gz FONUNWSLQKCINS-AWEZNQCLSA-N 1 1 353.397 3.171 20 30 FGEDMO C[C@H]1SCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H]1C ZINC000118533596 495007116 /nfs/dbraw/zinc/00/71/16/495007116.db2.gz BBMVFUKXCZHGQB-UONOGXRCSA-N 1 1 351.903 3.412 20 30 FGEDMO C[C@H]1SCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H]1C ZINC000118533596 495007117 /nfs/dbraw/zinc/00/71/17/495007117.db2.gz BBMVFUKXCZHGQB-UONOGXRCSA-N 1 1 351.903 3.412 20 30 FGEDMO C=CC1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000111464629 495077895 /nfs/dbraw/zinc/07/78/95/495077895.db2.gz RUDONFQHQWGLEP-HDICACEKSA-N 1 1 371.525 3.403 20 30 FGEDMO C[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000111504908 495083610 /nfs/dbraw/zinc/08/36/10/495083610.db2.gz IMPYTKTXZACSOS-KRWDZBQOSA-N 1 1 350.466 3.220 20 30 FGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000134129375 495110102 /nfs/dbraw/zinc/11/01/02/495110102.db2.gz QIAKYPLESHIOMH-HXUWFJFHSA-N 1 1 356.514 3.458 20 30 FGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000134227462 495124135 /nfs/dbraw/zinc/12/41/35/495124135.db2.gz KNHKOHKVQADSLP-DYESRHJHSA-N 1 1 363.461 3.257 20 30 FGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000134227462 495124136 /nfs/dbraw/zinc/12/41/36/495124136.db2.gz KNHKOHKVQADSLP-DYESRHJHSA-N 1 1 363.461 3.257 20 30 FGEDMO C[C@@H]1C[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000128678495 495133958 /nfs/dbraw/zinc/13/39/58/495133958.db2.gz WWBQYNROQFWBDP-UTKZUKDTSA-N 1 1 368.502 3.458 20 30 FGEDMO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000128678495 495133960 /nfs/dbraw/zinc/13/39/60/495133960.db2.gz WWBQYNROQFWBDP-UTKZUKDTSA-N 1 1 368.502 3.458 20 30 FGEDMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)ccc1C#N ZINC000571569290 505763204 /nfs/dbraw/zinc/76/32/04/505763204.db2.gz YJXWBRZXVUNJIN-GCJKJVERSA-N 1 1 350.462 3.409 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H](CO)C(C)(C)C ZINC000134421150 495146622 /nfs/dbraw/zinc/14/66/22/495146622.db2.gz CCVGCOFQGUIXGH-MRXNPFEDSA-N 1 1 363.527 3.166 20 30 FGEDMO CCCC[N@@H+](C)CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000112310116 495173339 /nfs/dbraw/zinc/17/33/39/495173339.db2.gz ALKNWRVVDBSUHS-UHFFFAOYSA-N 1 1 355.438 3.192 20 30 FGEDMO CCN(CCC#N)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000123964233 495213847 /nfs/dbraw/zinc/21/38/47/495213847.db2.gz JGULILGSPCSBHX-UHFFFAOYSA-N 1 1 370.497 3.152 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1 ZINC000112645022 495217777 /nfs/dbraw/zinc/21/77/77/495217777.db2.gz AXLJRVMWEFUHOA-JKSUJKDBSA-N 1 1 361.511 3.158 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1 ZINC000112645022 495217782 /nfs/dbraw/zinc/21/77/82/495217782.db2.gz AXLJRVMWEFUHOA-JKSUJKDBSA-N 1 1 361.511 3.158 20 30 FGEDMO N#CC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000134950462 495229746 /nfs/dbraw/zinc/22/97/46/495229746.db2.gz GRXFSRBOSJLQTJ-HNNXBMFYSA-N 1 1 351.372 3.090 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1C#N ZINC000134979065 495233898 /nfs/dbraw/zinc/23/38/98/495233898.db2.gz WHQUUBPNAZMKQK-QGZVFWFLSA-N 1 1 365.481 3.264 20 30 FGEDMO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000571597391 505768919 /nfs/dbraw/zinc/76/89/19/505768919.db2.gz GZZDOMRCUPQXCS-YLJYHZDGSA-N 1 1 357.498 3.186 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000119996446 495285365 /nfs/dbraw/zinc/28/53/65/495285365.db2.gz PCKMCOULYWNDRG-ROUUACIJSA-N 1 1 373.497 3.077 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119996446 495285369 /nfs/dbraw/zinc/28/53/69/495285369.db2.gz PCKMCOULYWNDRG-ROUUACIJSA-N 1 1 373.497 3.077 20 30 FGEDMO C[C@H]1CCCC[N@@H+]1CCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000113322152 495296957 /nfs/dbraw/zinc/29/69/57/495296957.db2.gz HJNHBPHFCYOPQI-SFHVURJKSA-N 1 1 351.498 3.428 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000113322152 495296961 /nfs/dbraw/zinc/29/69/61/495296961.db2.gz HJNHBPHFCYOPQI-SFHVURJKSA-N 1 1 351.498 3.428 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715239 495300350 /nfs/dbraw/zinc/30/03/50/495300350.db2.gz OZUCLRZQTPKOLO-UZLBHIALSA-N 1 1 355.482 3.096 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)COc2ccc(C#N)cc2)C1 ZINC000113901451 495335522 /nfs/dbraw/zinc/33/55/22/495335522.db2.gz PMGHIOFFDIBKJH-MJGOQNOKSA-N 1 1 355.482 3.050 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105273717 495350418 /nfs/dbraw/zinc/35/04/18/495350418.db2.gz MBONQWHJRGTPIK-GOSISDBHSA-N 1 1 374.485 3.413 20 30 FGEDMO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000120402631 495369569 /nfs/dbraw/zinc/36/95/69/495369569.db2.gz HZMMKNDIWKQSFJ-UHFFFAOYSA-N 1 1 352.438 3.018 20 30 FGEDMO CC(C)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC000120402631 495369572 /nfs/dbraw/zinc/36/95/72/495369572.db2.gz HZMMKNDIWKQSFJ-UHFFFAOYSA-N 1 1 352.438 3.018 20 30 FGEDMO N#CCCCOc1cccc(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000136570515 495387668 /nfs/dbraw/zinc/38/76/68/495387668.db2.gz WOPAGOFXFUFQTC-FCHUYYIVSA-N 1 1 371.525 3.227 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114644400 495404230 /nfs/dbraw/zinc/40/42/30/495404230.db2.gz INIQPSCANLYYIV-XLIONFOSSA-N 1 1 363.461 3.106 20 30 FGEDMO Cc1[nH+]cn(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)c1C ZINC000106440624 495456060 /nfs/dbraw/zinc/45/60/60/495456060.db2.gz OVZFQFPSOQJFCK-UHFFFAOYSA-N 1 1 361.449 3.477 20 30 FGEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000120794944 495459345 /nfs/dbraw/zinc/45/93/45/495459345.db2.gz CIUFRRYGOXKIRZ-INIZCTEOSA-N 1 1 366.440 3.015 20 30 FGEDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000130977977 495474711 /nfs/dbraw/zinc/47/47/11/495474711.db2.gz FCJPOYKOWOONDN-LMKMVOKYSA-N 1 1 356.491 3.336 20 30 FGEDMO COc1ccccc1CC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115540609 495514215 /nfs/dbraw/zinc/51/42/15/495514215.db2.gz SULIUEIVHKMQBG-OAQYLSRUSA-N 1 1 363.461 3.048 20 30 FGEDMO C[N@@H+](CCc1ccc(Br)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115543362 495514658 /nfs/dbraw/zinc/51/46/58/495514658.db2.gz GKCVGZULNPYKMI-KRWDZBQOSA-N 1 1 372.266 3.022 20 30 FGEDMO CC(C)(C)c1ccccc1OCC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599868 495521122 /nfs/dbraw/zinc/52/11/22/495521122.db2.gz AYPVICVYKISZJZ-LJQANCHMSA-N 1 1 351.450 3.051 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)CCCCC1 ZINC000170651191 495546751 /nfs/dbraw/zinc/54/67/51/495546751.db2.gz CKTBOSQGEXNVSV-UHFFFAOYSA-N 1 1 358.461 3.045 20 30 FGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000170651316 495546962 /nfs/dbraw/zinc/54/69/62/495546962.db2.gz GIQQOBFIGUBSEU-UHFFFAOYSA-N 1 1 352.413 3.212 20 30 FGEDMO Cc1cc(C)c(C#N)c(SC[C@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000145313086 495554994 /nfs/dbraw/zinc/55/49/94/495554994.db2.gz CKUYVSBIFOJIHX-GOSISDBHSA-N 1 1 353.491 3.081 20 30 FGEDMO C[C@@H](c1ccc(NC(=O)CNc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000158715897 495575173 /nfs/dbraw/zinc/57/51/73/495575173.db2.gz IAXOOZUEYVFHRU-INIZCTEOSA-N 1 1 364.449 3.002 20 30 FGEDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000158807517 495593110 /nfs/dbraw/zinc/59/31/10/495593110.db2.gz IZDKWWSWHSBDPZ-UHFFFAOYSA-N 1 1 363.368 3.219 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185497361 495599741 /nfs/dbraw/zinc/59/97/41/495599741.db2.gz HGKBWOLVBIQPKU-JKSUJKDBSA-N 1 1 368.506 3.326 20 30 FGEDMO C[C@H](CCNC(=O)[C@H](C)Oc1ccccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000173603809 495609236 /nfs/dbraw/zinc/60/92/36/495609236.db2.gz VMFGESOWFGIWLT-MSOLQXFVSA-N 1 1 365.477 3.352 20 30 FGEDMO N#Cc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000154572468 495657750 /nfs/dbraw/zinc/65/77/50/495657750.db2.gz OMRGJTQQMFUHKV-UHFFFAOYSA-N 1 1 353.853 3.390 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCC(=O)OC(C)(C)C ZINC000150935021 495685918 /nfs/dbraw/zinc/68/59/18/495685918.db2.gz OYEQRAVKTIHHHO-UHFFFAOYSA-N 1 1 365.861 3.204 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698706 495686611 /nfs/dbraw/zinc/68/66/11/495686611.db2.gz SITCOVZQMMCRHO-HLLBOEOZSA-N 1 1 372.513 3.338 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182750404 495687215 /nfs/dbraw/zinc/68/72/15/495687215.db2.gz JGGRGIJSOGJPCP-YLJYHZDGSA-N 1 1 359.514 3.187 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@H](C#N)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000176632170 495727600 /nfs/dbraw/zinc/72/76/00/495727600.db2.gz RMFPSYNFOLEEDM-FVJLSDCUSA-N 1 1 369.509 3.498 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@H](C#N)C3CCCCC3)cc2)C[C@H](C)O1 ZINC000176632170 495727608 /nfs/dbraw/zinc/72/76/08/495727608.db2.gz RMFPSYNFOLEEDM-FVJLSDCUSA-N 1 1 369.509 3.498 20 30 FGEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000171152407 495745335 /nfs/dbraw/zinc/74/53/35/495745335.db2.gz ZVZAQDLIOZGVCD-UHFFFAOYSA-N 1 1 371.510 3.356 20 30 FGEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000171152407 495745340 /nfs/dbraw/zinc/74/53/40/495745340.db2.gz ZVZAQDLIOZGVCD-UHFFFAOYSA-N 1 1 371.510 3.356 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000151140409 495751617 /nfs/dbraw/zinc/75/16/17/495751617.db2.gz RMDWTZYTRNKHIM-UWJYYQICSA-N 1 1 368.525 3.061 20 30 FGEDMO CCC(CC)[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[NH+](C)C ZINC000180047851 495836788 /nfs/dbraw/zinc/83/67/88/495836788.db2.gz WTFHHJUBPINKEC-HXUWFJFHSA-N 1 1 353.514 3.415 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@](C)(O)C2)cc1OCC ZINC000180187980 495897457 /nfs/dbraw/zinc/89/74/57/495897457.db2.gz DOGRIZCWXQXLPN-KRWDZBQOSA-N 1 1 370.287 3.369 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@](C)(O)C2)cc1OCC ZINC000180187980 495897458 /nfs/dbraw/zinc/89/74/58/495897458.db2.gz DOGRIZCWXQXLPN-KRWDZBQOSA-N 1 1 370.287 3.369 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000177171316 495957933 /nfs/dbraw/zinc/95/79/33/495957933.db2.gz HNDIEAKCIYHNIY-RHSMWYFYSA-N 1 1 365.433 3.085 20 30 FGEDMO Cc1csc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000171637149 495959189 /nfs/dbraw/zinc/95/91/89/495959189.db2.gz VSUGVYMOOVTTKY-SJLPKXTDSA-N 1 1 366.490 3.308 20 30 FGEDMO Cc1csc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1 ZINC000171637149 495959199 /nfs/dbraw/zinc/95/91/99/495959199.db2.gz VSUGVYMOOVTTKY-SJLPKXTDSA-N 1 1 366.490 3.308 20 30 FGEDMO COc1ccc([C@H](CCC#N)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000580694378 505815356 /nfs/dbraw/zinc/81/53/56/505815356.db2.gz RCRHRIVZSBXPRC-INIZCTEOSA-N 1 1 364.492 3.295 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCOc1cccc2ccccc21 ZINC000155662073 496028973 /nfs/dbraw/zinc/02/89/73/496028973.db2.gz AZGXGYWOTQTBKR-KRWDZBQOSA-N 1 1 373.460 3.091 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCOc1cccc2ccccc21 ZINC000155662073 496028977 /nfs/dbraw/zinc/02/89/77/496028977.db2.gz AZGXGYWOTQTBKR-KRWDZBQOSA-N 1 1 373.460 3.091 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000580703657 505818918 /nfs/dbraw/zinc/81/89/18/505818918.db2.gz HHTHVMUASJSGOG-UYAOXDASSA-N 1 1 352.482 3.252 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000155718924 496046342 /nfs/dbraw/zinc/04/63/42/496046342.db2.gz SXWCVFMCHQSOMV-UHFFFAOYSA-N 1 1 364.405 3.460 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160897974 496063173 /nfs/dbraw/zinc/06/31/73/496063173.db2.gz NUETWMGIIHZVMO-KNQAVFIVSA-N 1 1 369.509 3.177 20 30 FGEDMO Cc1ccccc1NC(=O)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000174732128 496081192 /nfs/dbraw/zinc/08/11/92/496081192.db2.gz YMTPJLFAUKVELR-UHFFFAOYSA-N 1 1 362.477 3.408 20 30 FGEDMO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000174776628 496101546 /nfs/dbraw/zinc/10/15/46/496101546.db2.gz RHFIOIKONDFNNS-UHFFFAOYSA-N 1 1 366.440 3.157 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1C ZINC000152493057 496167732 /nfs/dbraw/zinc/16/77/32/496167732.db2.gz SZOGHJALVSNXIV-KRWDZBQOSA-N 1 1 367.497 3.280 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1C ZINC000152493057 496167737 /nfs/dbraw/zinc/16/77/37/496167737.db2.gz SZOGHJALVSNXIV-KRWDZBQOSA-N 1 1 367.497 3.280 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C#N)cc3C)cc2)CC1 ZINC000161493930 496186445 /nfs/dbraw/zinc/18/64/45/496186445.db2.gz IFLLWVQKDRQJDV-UHFFFAOYSA-N 1 1 362.477 3.257 20 30 FGEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000152605696 496201318 /nfs/dbraw/zinc/20/13/18/496201318.db2.gz ADNPCFTUJPBBBG-CYBMUJFWSA-N 1 1 351.288 3.103 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1C#N ZINC000152645391 496213342 /nfs/dbraw/zinc/21/33/42/496213342.db2.gz GUGZNFAMRSLUKA-KDOFPFPSSA-N 1 1 372.513 3.266 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1C#N ZINC000152645391 496213345 /nfs/dbraw/zinc/21/33/45/496213345.db2.gz GUGZNFAMRSLUKA-KDOFPFPSSA-N 1 1 372.513 3.266 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000177923238 496252707 /nfs/dbraw/zinc/25/27/07/496252707.db2.gz AGLCPHVCPMLUGC-KSSFIOAISA-N 1 1 367.428 3.124 20 30 FGEDMO C=CCCCC(=O)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000175140100 496263524 /nfs/dbraw/zinc/26/35/24/496263524.db2.gz XLNGAASVHZHDCL-UHFFFAOYSA-N 1 1 374.510 3.231 20 30 FGEDMO C[C@@H](CCNC(=O)NCc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000175264068 496314759 /nfs/dbraw/zinc/31/47/59/496314759.db2.gz LMDSPIPCGMQAMV-KRWDZBQOSA-N 1 1 350.466 3.268 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000184274370 496315281 /nfs/dbraw/zinc/31/52/81/496315281.db2.gz FHEMMHYSJHLSQJ-CABCVRRESA-N 1 1 372.494 3.446 20 30 FGEDMO N#Cc1ccc(C[N@H+](C[C@H](O)COc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000178091333 496326386 /nfs/dbraw/zinc/32/63/86/496326386.db2.gz YYNVVSATAOPRBJ-IBGZPJMESA-N 1 1 361.445 3.444 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2[C@@H](CO)CCC[C@@H]2C)ccc1Cl ZINC000181404665 496381117 /nfs/dbraw/zinc/38/11/17/496381117.db2.gz WOZPTPAVLGEZAO-DOTOQJQBSA-N 1 1 363.889 3.130 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)ccc1Cl ZINC000181404665 496381121 /nfs/dbraw/zinc/38/11/21/496381121.db2.gz WOZPTPAVLGEZAO-DOTOQJQBSA-N 1 1 363.889 3.130 20 30 FGEDMO N#CCSc1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000175529310 496428909 /nfs/dbraw/zinc/42/89/09/496428909.db2.gz GLRFTPCELFBLOM-UHFFFAOYSA-N 1 1 373.522 3.067 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000181642200 496483581 /nfs/dbraw/zinc/48/35/81/496483581.db2.gz OKZDLCWHQCWLRL-UHFFFAOYSA-N 1 1 363.310 3.063 20 30 FGEDMO CC(C)Oc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1C#N ZINC000157757747 496547139 /nfs/dbraw/zinc/54/71/39/496547139.db2.gz PACULCUQTCKCCZ-MRXNPFEDSA-N 1 1 356.426 3.363 20 30 FGEDMO C=C(C)[C@@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000184856736 496559749 /nfs/dbraw/zinc/55/97/49/496559749.db2.gz YZAOEAPZQLNMPK-LJQANCHMSA-N 1 1 352.425 3.201 20 30 FGEDMO N#CCSc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000153734995 496562152 /nfs/dbraw/zinc/56/21/52/496562152.db2.gz UYDVEBJATZVCDC-LPHOPBHVSA-N 1 1 355.507 3.391 20 30 FGEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187789550 496572566 /nfs/dbraw/zinc/57/25/66/496572566.db2.gz JZICMDHCHQFLJY-IAQYHMDHSA-N 1 1 353.413 3.184 20 30 FGEDMO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C#N ZINC000157894944 496579425 /nfs/dbraw/zinc/57/94/25/496579425.db2.gz UYMWPPFPLFMXDK-CRAIPNDOSA-N 1 1 356.470 3.293 20 30 FGEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157961825 496596558 /nfs/dbraw/zinc/59/65/58/496596558.db2.gz VZVFRPDWOPSCDW-LBPRGKRZSA-N 1 1 357.458 3.317 20 30 FGEDMO N#CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000580856661 505854080 /nfs/dbraw/zinc/85/40/80/505854080.db2.gz QKHQQMOBUFJAPQ-GOSISDBHSA-N 1 1 373.434 3.003 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(C)(C)O ZINC000158129798 496634304 /nfs/dbraw/zinc/63/43/04/496634304.db2.gz FMLQEHMPPCFXNV-CYBMUJFWSA-N 1 1 363.527 3.166 20 30 FGEDMO C[C@H]1CC[C@](CO)([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000187974191 496636330 /nfs/dbraw/zinc/63/63/30/496636330.db2.gz BBXQTSFKEOBDGT-KKSFZXQISA-N 1 1 353.466 3.221 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+](CCO)[C@H]3CCCc4ccccc43)o2)cc1 ZINC000173388555 496671465 /nfs/dbraw/zinc/67/14/65/496671465.db2.gz JRBGPVGGDQOUBX-FQEVSTJZSA-N 1 1 374.444 3.480 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+](CCO)[C@H]3CCCc4ccccc43)o2)cc1 ZINC000173388555 496671474 /nfs/dbraw/zinc/67/14/74/496671474.db2.gz JRBGPVGGDQOUBX-FQEVSTJZSA-N 1 1 374.444 3.480 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000179118617 496680963 /nfs/dbraw/zinc/68/09/63/496680963.db2.gz PAMUYIZVTRYZBL-UHFFFAOYSA-N 1 1 354.475 3.212 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC#N)CC[N@H+]1Cc1ccccc1 ZINC000176120720 496692017 /nfs/dbraw/zinc/69/20/17/496692017.db2.gz GKTXDYFMHPUQIL-MJGOQNOKSA-N 1 1 363.461 3.372 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)c2ccccc2OCC#N)CC[N@H+]1Cc1ccccc1 ZINC000176120706 496692815 /nfs/dbraw/zinc/69/28/15/496692815.db2.gz GKTXDYFMHPUQIL-PKOBYXMFSA-N 1 1 363.461 3.372 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@H+](C[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000182161822 496692896 /nfs/dbraw/zinc/69/28/96/496692896.db2.gz ZRAGKWMSABIQQY-QHCPKHFHSA-N 1 1 363.505 3.060 20 30 FGEDMO C[N@H+]1CCC[C@]2(CCN(c3cc(Br)c(C#N)cc3F)C2)C1 ZINC000580901948 505864375 /nfs/dbraw/zinc/86/43/75/505864375.db2.gz DGKHTKCPCXTKAA-INIZCTEOSA-N 1 1 352.251 3.382 20 30 FGEDMO C[N@H+]1CCC[C@@]2(CCN(c3cc(Br)c(C#N)cc3F)C2)C1 ZINC000580901949 505864542 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3.216 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188713959 496885187 /nfs/dbraw/zinc/88/51/87/496885187.db2.gz UWRALDJSGPEZNF-GOSISDBHSA-N 1 1 359.473 3.323 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000188713959 496885193 /nfs/dbraw/zinc/88/51/93/496885193.db2.gz UWRALDJSGPEZNF-GOSISDBHSA-N 1 1 359.473 3.323 20 30 FGEDMO CCc1[nH+]ccn1[C@H]1CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000247603999 496895425 /nfs/dbraw/zinc/89/54/25/496895425.db2.gz LKDQECOEBQXZGD-ZBFHGGJFSA-N 1 1 369.469 3.191 20 30 FGEDMO CC(C)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)CC1CCC1 ZINC000277831805 496903784 /nfs/dbraw/zinc/90/37/84/496903784.db2.gz RODFELNEDZCXNY-MRXNPFEDSA-N 1 1 352.438 3.022 20 30 FGEDMO COc1cnccc1[C@@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000188784866 496908311 /nfs/dbraw/zinc/90/83/11/496908311.db2.gz QHLYHEHHUHPNSY-MRXNPFEDSA-N 1 1 350.466 3.277 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000188807920 496914412 /nfs/dbraw/zinc/91/44/12/496914412.db2.gz FSOSWTNWTOEXLI-MRXNPFEDSA-N 1 1 355.482 3.381 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)c1ccco1 ZINC000264632923 496949489 /nfs/dbraw/zinc/94/94/89/496949489.db2.gz KMJHYPILWPEDJI-SFHVURJKSA-N 1 1 355.438 3.119 20 30 FGEDMO C[C@H]1c2cccn2CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000198389112 496968607 /nfs/dbraw/zinc/96/86/07/496968607.db2.gz ZCEUSWDWOCCABD-ZDUSSCGKSA-N 1 1 354.479 3.315 20 30 FGEDMO C[C@H]1c2cccn2CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000198389112 496968613 /nfs/dbraw/zinc/96/86/13/496968613.db2.gz ZCEUSWDWOCCABD-ZDUSSCGKSA-N 1 1 354.479 3.315 20 30 FGEDMO C[C@@H]1C[NH+](CCC2CCN(Cc3ccc(C#N)c(F)c3)CC2)C[C@@H](C)O1 ZINC000192061258 496980579 /nfs/dbraw/zinc/98/05/79/496980579.db2.gz LAKPKXIHIOXJPX-IAGOWNOFSA-N 1 1 359.489 3.409 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248437920 497011574 /nfs/dbraw/zinc/01/15/74/497011574.db2.gz HLICVXJBVYHERU-DQYPLSBCSA-N 1 1 366.868 3.462 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NC[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248437920 497011578 /nfs/dbraw/zinc/01/15/78/497011578.db2.gz HLICVXJBVYHERU-DQYPLSBCSA-N 1 1 366.868 3.462 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000265003039 497029392 /nfs/dbraw/zinc/02/93/92/497029392.db2.gz DKDWURISLLJYJV-OAHLLOKOSA-N 1 1 374.506 3.178 20 30 FGEDMO N#C[C@H]1CCC[C@H]([NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000274223412 497044886 /nfs/dbraw/zinc/04/48/86/497044886.db2.gz QGHPOSCJFJFRSI-HOCLYGCPSA-N 1 1 354.479 3.245 20 30 FGEDMO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)o1 ZINC000265217622 497073411 /nfs/dbraw/zinc/07/34/11/497073411.db2.gz SPENJPXLNHVOQS-UHFFFAOYSA-N 1 1 358.394 3.047 20 30 FGEDMO COC(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000249153205 497176714 /nfs/dbraw/zinc/17/67/14/497176714.db2.gz YEEHRBFVFKBCNM-XJKSGUPXSA-N 1 1 355.356 3.068 20 30 FGEDMO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC000249153205 497176720 /nfs/dbraw/zinc/17/67/20/497176720.db2.gz YEEHRBFVFKBCNM-XJKSGUPXSA-N 1 1 355.356 3.068 20 30 FGEDMO Cc1csc(C(C)(C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 ZINC000192675386 497182074 /nfs/dbraw/zinc/18/20/74/497182074.db2.gz PNHLDMFSVRAWDU-MRXNPFEDSA-N 1 1 354.479 3.344 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192707195 497189902 /nfs/dbraw/zinc/18/99/02/497189902.db2.gz JJUYDHXLQSNBBJ-GOSISDBHSA-N 1 1 356.422 3.195 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192707195 497189906 /nfs/dbraw/zinc/18/99/06/497189906.db2.gz JJUYDHXLQSNBBJ-GOSISDBHSA-N 1 1 356.422 3.195 20 30 FGEDMO CCc1cnc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000278726683 497201404 /nfs/dbraw/zinc/20/14/04/497201404.db2.gz UCQPSFUKFZQAIQ-UHFFFAOYSA-N 1 1 352.467 3.167 20 30 FGEDMO COc1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1OCCCC#N ZINC000237271685 497213283 /nfs/dbraw/zinc/21/32/83/497213283.db2.gz XDWQXYZUNGRTST-UHFFFAOYSA-N 1 1 350.422 3.315 20 30 FGEDMO CC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)[C@H](C)c1ccc(C#N)cc1 ZINC000249771042 497246495 /nfs/dbraw/zinc/24/64/95/497246495.db2.gz SHQNGEAGXNXMDX-LSTHTHJFSA-N 1 1 355.482 3.111 20 30 FGEDMO Cc1[nH+]ccn1CCCCNC(=O)CCCCOc1cccc(C#N)c1 ZINC000266108222 497258227 /nfs/dbraw/zinc/25/82/27/497258227.db2.gz UEFVKYYMYJSUCE-UHFFFAOYSA-N 1 1 354.454 3.209 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000574974066 505895515 /nfs/dbraw/zinc/89/55/15/505895515.db2.gz DFPXVSFSDXVSJI-XLIONFOSSA-N 1 1 352.482 3.252 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000574974064 505895778 /nfs/dbraw/zinc/89/57/78/505895778.db2.gz DFPXVSFSDXVSJI-FXAWDEMLSA-N 1 1 352.482 3.252 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000189907926 497288726 /nfs/dbraw/zinc/28/87/26/497288726.db2.gz RCNMUHXFBGUKBI-AWEZNQCLSA-N 1 1 361.511 3.255 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1OCCCC#N ZINC000271275062 497309613 /nfs/dbraw/zinc/30/96/13/497309613.db2.gz KPYAFRVEQPEQBW-QGZVFWFLSA-N 1 1 369.469 3.184 20 30 FGEDMO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OCCCC#N ZINC000271275062 497309617 /nfs/dbraw/zinc/30/96/17/497309617.db2.gz KPYAFRVEQPEQBW-QGZVFWFLSA-N 1 1 369.469 3.184 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1OCCCC#N ZINC000271275062 497309622 /nfs/dbraw/zinc/30/96/22/497309622.db2.gz KPYAFRVEQPEQBW-QGZVFWFLSA-N 1 1 369.469 3.184 20 30 FGEDMO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1OCCCC#N ZINC000271275062 497309625 /nfs/dbraw/zinc/30/96/25/497309625.db2.gz KPYAFRVEQPEQBW-QGZVFWFLSA-N 1 1 369.469 3.184 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1OCCCC#N ZINC000271275062 497309631 /nfs/dbraw/zinc/30/96/31/497309631.db2.gz KPYAFRVEQPEQBW-QGZVFWFLSA-N 1 1 369.469 3.184 20 30 FGEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000190145709 497374756 /nfs/dbraw/zinc/37/47/56/497374756.db2.gz QRCNPDRMNQQVNG-LJQANCHMSA-N 1 1 351.406 3.010 20 30 FGEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC000190145709 497374757 /nfs/dbraw/zinc/37/47/57/497374757.db2.gz QRCNPDRMNQQVNG-LJQANCHMSA-N 1 1 351.406 3.010 20 30 FGEDMO Cn1cc(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3)C2)cc1C#N ZINC000581071698 505903924 /nfs/dbraw/zinc/90/39/24/505903924.db2.gz NHGJXJCNPRMEMB-UXHICEINSA-N 1 1 365.477 3.454 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCCOC2)c1 ZINC000245498366 497430751 /nfs/dbraw/zinc/43/07/51/497430751.db2.gz VXXXFQWXXRJJKA-RTBURBONSA-N 1 1 357.498 3.297 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266899963 497441563 /nfs/dbraw/zinc/44/15/63/497441563.db2.gz GDDOCKIBTLGJAV-GXTWGEPZSA-N 1 1 357.845 3.141 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266899963 497441569 /nfs/dbraw/zinc/44/15/69/497441569.db2.gz GDDOCKIBTLGJAV-GXTWGEPZSA-N 1 1 357.845 3.141 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000245587691 497466840 /nfs/dbraw/zinc/46/68/40/497466840.db2.gz JUYCWQZPENZYNX-RTBURBONSA-N 1 1 355.482 3.332 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000279644736 497496396 /nfs/dbraw/zinc/49/63/96/497496396.db2.gz WZQWHXWQPQTLJH-NRFANRHFSA-N 1 1 360.461 3.009 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000245741616 497524168 /nfs/dbraw/zinc/52/41/68/497524168.db2.gz LWSGSLLFJDTFCK-OAQYLSRUSA-N 1 1 351.450 3.316 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000245741616 497524172 /nfs/dbraw/zinc/52/41/72/497524172.db2.gz LWSGSLLFJDTFCK-OAQYLSRUSA-N 1 1 351.450 3.316 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000245742174 497524544 /nfs/dbraw/zinc/52/45/44/497524544.db2.gz FEVGBOWZGKDWEP-YOEHRIQHSA-N 1 1 361.511 3.112 20 30 FGEDMO 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C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000328990826 499008704 /nfs/dbraw/zinc/00/87/04/499008704.db2.gz VFPUKHVOJIWZCT-UESRRSCYSA-N 1 1 368.424 3.193 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329017885 499015472 /nfs/dbraw/zinc/01/54/72/499015472.db2.gz GWUXECNDTBRWOS-YPMHNXCESA-N 1 1 370.409 3.142 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329017885 499015478 /nfs/dbraw/zinc/01/54/78/499015478.db2.gz GWUXECNDTBRWOS-YPMHNXCESA-N 1 1 370.409 3.142 20 30 FGEDMO CC1=CC[N@H+](CCNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000329086818 499038482 /nfs/dbraw/zinc/03/84/82/499038482.db2.gz GZILAGUOPKTMMP-IBGZPJMESA-N 1 1 357.479 3.224 20 30 FGEDMO CC1=CC[N@@H+](CCNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 ZINC000329086818 499038486 /nfs/dbraw/zinc/03/84/86/499038486.db2.gz GZILAGUOPKTMMP-IBGZPJMESA-N 1 1 357.479 3.224 20 30 FGEDMO CC[N@H+]1CCCN(C(=O)Nc2cccc3c2CN(c2nccs2)C3)CC1 ZINC000329170974 499062057 /nfs/dbraw/zinc/06/20/57/499062057.db2.gz KJOBHFYOBBIGQB-UHFFFAOYSA-N 1 1 371.510 3.236 20 30 FGEDMO C#CC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000366760442 499064092 /nfs/dbraw/zinc/06/40/92/499064092.db2.gz PNDHOANMPSACJD-IBGZPJMESA-N 1 1 359.433 3.140 20 30 FGEDMO C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+]1CCCCCC1 ZINC000329201028 499070500 /nfs/dbraw/zinc/07/05/00/499070500.db2.gz VNWUTWIYGMSAHU-JENIJYKNSA-N 1 1 361.534 3.024 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000329215402 499074383 /nfs/dbraw/zinc/07/43/83/499074383.db2.gz MPOPREVTSHVBPL-HOCLYGCPSA-N 1 1 373.526 3.491 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000329216660 499075288 /nfs/dbraw/zinc/07/52/88/499075288.db2.gz OWGKEDMMBVQVEY-RYUDHWBXSA-N 1 1 358.408 3.364 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366803865 499078993 /nfs/dbraw/zinc/07/89/93/499078993.db2.gz DOMKYGIILYGVID-VQTJNVASSA-N 1 1 366.440 3.284 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366803865 499078999 /nfs/dbraw/zinc/07/89/99/499078999.db2.gz DOMKYGIILYGVID-VQTJNVASSA-N 1 1 366.440 3.284 20 30 FGEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329253195 499084897 /nfs/dbraw/zinc/08/48/97/499084897.db2.gz ZAYOKZOMXKOQFI-RHSMWYFYSA-N 1 1 360.458 3.126 20 30 FGEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329253195 499084903 /nfs/dbraw/zinc/08/49/03/499084903.db2.gz ZAYOKZOMXKOQFI-RHSMWYFYSA-N 1 1 360.458 3.126 20 30 FGEDMO Cc1cc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]n1 ZINC000364038639 499095211 /nfs/dbraw/zinc/09/52/11/499095211.db2.gz WUMUWJHDYIYFPV-MSOLQXFVSA-N 1 1 365.481 3.233 20 30 FGEDMO Cc1cc([C@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)[nH]n1 ZINC000364038639 499095215 /nfs/dbraw/zinc/09/52/15/499095215.db2.gz WUMUWJHDYIYFPV-MSOLQXFVSA-N 1 1 365.481 3.233 20 30 FGEDMO Cc1cc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000364038639 499095219 /nfs/dbraw/zinc/09/52/19/499095219.db2.gz WUMUWJHDYIYFPV-MSOLQXFVSA-N 1 1 365.481 3.233 20 30 FGEDMO Cc1cc([C@H]2CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)n[nH]1 ZINC000364038639 499095224 /nfs/dbraw/zinc/09/52/24/499095224.db2.gz WUMUWJHDYIYFPV-MSOLQXFVSA-N 1 1 365.481 3.233 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000329309225 499096400 /nfs/dbraw/zinc/09/64/00/499096400.db2.gz QLMRVCBPYFBMIC-UJWQCDCRSA-N 1 1 351.535 3.036 20 30 FGEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000573169091 506134290 /nfs/dbraw/zinc/13/42/90/506134290.db2.gz UAZOUEWPCDFOAU-LPHOPBHVSA-N 1 1 364.497 3.169 20 30 FGEDMO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)C1 ZINC000329369746 499111042 /nfs/dbraw/zinc/11/10/42/499111042.db2.gz IKKLFIYKMVIEMS-UBGMWTFPSA-N 1 1 355.482 3.132 20 30 FGEDMO Cc1cc(C)nc(C2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)n1 ZINC000366909878 499112599 /nfs/dbraw/zinc/11/25/99/499112599.db2.gz IIXKJQVDQCHJLM-UHFFFAOYSA-N 1 1 374.448 3.395 20 30 FGEDMO C[C@@]1(CNC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCC[N@H+]1Cc1ccccc1 ZINC000329402143 499115266 /nfs/dbraw/zinc/11/52/66/499115266.db2.gz BQYITDWTKARAPZ-OPYAIIAOSA-N 1 1 370.497 3.006 20 30 FGEDMO C[C@@H](NCC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329458218 499124090 /nfs/dbraw/zinc/12/40/90/499124090.db2.gz QXQSOTOEFSDNEQ-CABCVRRESA-N 1 1 359.470 3.246 20 30 FGEDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2cnc3c(c2)CCCC3)C[C@@H](C)O1 ZINC000329463458 499125117 /nfs/dbraw/zinc/12/51/17/499125117.db2.gz QPAAZJYATQPFNY-GPMSIDNRSA-N 1 1 372.513 3.080 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000364168002 499127022 /nfs/dbraw/zinc/12/70/22/499127022.db2.gz FAGVMMQKUUGDIM-WOJBJXKFSA-N 1 1 363.436 3.291 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000364168002 499127023 /nfs/dbraw/zinc/12/70/23/499127023.db2.gz FAGVMMQKUUGDIM-WOJBJXKFSA-N 1 1 363.436 3.291 20 30 FGEDMO CCC[NH+]1CCN(C2CCN(Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000372483378 499133149 /nfs/dbraw/zinc/13/31/49/499133149.db2.gz UHKZWXNVFDETRD-UHFFFAOYSA-N 1 1 360.933 3.204 20 30 FGEDMO C=CCN(C(=O)c1csc(COC)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372602664 499152193 /nfs/dbraw/zinc/15/21/93/499152193.db2.gz WGTSKMWVBXITAN-KRWDZBQOSA-N 1 1 371.506 3.192 20 30 FGEDMO C=CCN1CC[C@@H]([NH2+][C@H](C)c2nc(-c3ccc(C#N)cc3)cs2)C1=O ZINC000367155363 499155165 /nfs/dbraw/zinc/15/51/65/499155165.db2.gz DDGUMAOFDQOQKM-CZUORRHYSA-N 1 1 352.463 3.119 20 30 FGEDMO C#CCC1(C(=O)N(C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCCCC1 ZINC000372752290 499170804 /nfs/dbraw/zinc/17/08/04/499170804.db2.gz PCWCYCXDZFHRLR-UHFFFAOYSA-N 1 1 368.525 3.494 20 30 FGEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367301653 499176625 /nfs/dbraw/zinc/17/66/25/499176625.db2.gz ALKCWIFMBDATAN-MRXNPFEDSA-N 1 1 363.465 3.198 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000372841838 499183200 /nfs/dbraw/zinc/18/32/00/499183200.db2.gz UOWORLCWZPDIBO-MOPGFXCFSA-N 1 1 374.387 3.267 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC000372841838 499183201 /nfs/dbraw/zinc/18/32/01/499183201.db2.gz UOWORLCWZPDIBO-MOPGFXCFSA-N 1 1 374.387 3.267 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000367696861 499225635 /nfs/dbraw/zinc/22/56/35/499225635.db2.gz IOIMBXMDXRJSRB-PGRDOPGGSA-N 1 1 353.510 3.456 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)C1 ZINC000367701913 499226405 /nfs/dbraw/zinc/22/64/05/499226405.db2.gz UPOZPIUMPOQOMZ-PGRDOPGGSA-N 1 1 353.510 3.314 20 30 FGEDMO Cc1[nH+]c(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c2n1CCCC2 ZINC000367703515 499226729 /nfs/dbraw/zinc/22/67/29/499226729.db2.gz DCMRAYBSIHYFEO-UHFFFAOYSA-N 1 1 354.429 3.133 20 30 FGEDMO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370556999 499231437 /nfs/dbraw/zinc/23/14/37/499231437.db2.gz JBUCPWCRVZDUOD-CJNGLKHVSA-N 1 1 369.494 3.136 20 30 FGEDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3Br)C2)no1 ZINC000367872302 499240318 /nfs/dbraw/zinc/24/03/18/499240318.db2.gz YWJMCCBECMGVEB-AWEZNQCLSA-N 1 1 361.243 3.392 20 30 FGEDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)no1 ZINC000367872302 499240319 /nfs/dbraw/zinc/24/03/19/499240319.db2.gz YWJMCCBECMGVEB-AWEZNQCLSA-N 1 1 361.243 3.392 20 30 FGEDMO N#C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000368123351 499266999 /nfs/dbraw/zinc/26/69/99/499266999.db2.gz WKFNLVMKXRKWIW-FOIQADDNSA-N 1 1 353.372 3.470 20 30 FGEDMO N#C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000368123351 499267001 /nfs/dbraw/zinc/26/70/01/499267001.db2.gz WKFNLVMKXRKWIW-FOIQADDNSA-N 1 1 353.372 3.470 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000582122883 506139232 /nfs/dbraw/zinc/13/92/32/506139232.db2.gz KCUHQSPQSGOOTH-QGZVFWFLSA-N 1 1 366.513 3.077 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000582122883 506139237 /nfs/dbraw/zinc/13/92/37/506139237.db2.gz KCUHQSPQSGOOTH-QGZVFWFLSA-N 1 1 366.513 3.077 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000368244462 499277609 /nfs/dbraw/zinc/27/76/09/499277609.db2.gz WDHGRBKDDLZOBW-QGZVFWFLSA-N 1 1 366.490 3.085 20 30 FGEDMO CC(C)[N@H+]1CCc2nc(CN(CCC#N)Cc3ccccn3)sc2C1 ZINC000368255572 499278703 /nfs/dbraw/zinc/27/87/03/499278703.db2.gz UXAWROQDVOPRRJ-UHFFFAOYSA-N 1 1 355.511 3.220 20 30 FGEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000368404549 499292909 /nfs/dbraw/zinc/29/29/09/499292909.db2.gz WLEMEXSZGJYGNM-GOSISDBHSA-N 1 1 360.465 3.072 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000368595403 499311583 /nfs/dbraw/zinc/31/15/83/499311583.db2.gz YXWWZWWNRUCFAD-IBGZPJMESA-N 1 1 350.466 3.207 20 30 FGEDMO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000371385096 499318900 /nfs/dbraw/zinc/31/89/00/499318900.db2.gz WARVBVLTXJHQEF-DNVCBOLYSA-N 1 1 353.470 3.241 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2noc(C)n2)CC1 ZINC000371487996 499333311 /nfs/dbraw/zinc/33/33/11/499333311.db2.gz LWTKLFGRSIWCOA-AWEZNQCLSA-N 1 1 374.510 3.222 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000368881134 499342980 /nfs/dbraw/zinc/34/29/80/499342980.db2.gz DJKJBFIAXNYRPG-LSBZLQRGSA-N 1 1 365.543 3.007 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)COCc1cccs1 ZINC000371780749 499365089 /nfs/dbraw/zinc/36/50/89/499365089.db2.gz ACDVNADSDYPHKP-SXLOBPIMSA-N 1 1 356.491 3.397 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000371780749 499365091 /nfs/dbraw/zinc/36/50/91/499365091.db2.gz ACDVNADSDYPHKP-SXLOBPIMSA-N 1 1 356.491 3.397 20 30 FGEDMO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000369310397 499390246 /nfs/dbraw/zinc/39/02/46/499390246.db2.gz PGCVTXXHWOTMFZ-MRXNPFEDSA-N 1 1 374.448 3.277 20 30 FGEDMO C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000369310397 499390248 /nfs/dbraw/zinc/39/02/48/499390248.db2.gz PGCVTXXHWOTMFZ-MRXNPFEDSA-N 1 1 374.448 3.277 20 30 FGEDMO N#CCSc1cccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000372340334 499422494 /nfs/dbraw/zinc/42/24/94/499422494.db2.gz ROMPAHOZDHKFLG-PMOLBWCYSA-N 1 1 363.486 3.162 20 30 FGEDMO N#Cc1ncn(C2CC[NH+](Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)n1 ZINC000369729430 499439415 /nfs/dbraw/zinc/43/94/15/499439415.db2.gz KHZMHYONGNTDIJ-UHFFFAOYSA-N 1 1 368.828 3.295 20 30 FGEDMO Cc1nc([C@@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)no1 ZINC000373128558 499452867 /nfs/dbraw/zinc/45/28/67/499452867.db2.gz VXPRGJWIELHLSQ-QGZVFWFLSA-N 1 1 362.437 3.030 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000373503851 499473821 /nfs/dbraw/zinc/47/38/21/499473821.db2.gz UBBSPQYEHIJJMI-LSTHTHJFSA-N 1 1 369.509 3.107 20 30 FGEDMO 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/nfs/dbraw/zinc/64/77/74/500647774.db2.gz LJHPDJXDEVWPLB-AWEZNQCLSA-N 1 1 355.301 3.011 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@H+](CCO)[C@H]2CCCSC2)c1 ZINC000433207892 500647777 /nfs/dbraw/zinc/64/77/77/500647777.db2.gz LJHPDJXDEVWPLB-AWEZNQCLSA-N 1 1 355.301 3.011 20 30 FGEDMO Cc1cc(CNC(=O)NCc2ccc(CC#N)cc2)cc(N2CCCC2)[nH+]1 ZINC000573559854 506211942 /nfs/dbraw/zinc/21/19/42/506211942.db2.gz XIFWFNQHKVNPPT-UHFFFAOYSA-N 1 1 363.465 3.056 20 30 FGEDMO COCC[N@@H+]([C@@H]1CC[C@H](C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447878896 500683608 /nfs/dbraw/zinc/68/36/08/500683608.db2.gz LOFDKTFUEXXESN-PWIZWCRZSA-N 1 1 355.482 3.191 20 30 FGEDMO C[N@@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000447893330 500686675 /nfs/dbraw/zinc/68/66/75/500686675.db2.gz ZWWIZIAKQYNEJR-FCHUYYIVSA-N 1 1 374.488 3.042 20 30 FGEDMO C[N@H+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000447893330 500686679 /nfs/dbraw/zinc/68/66/79/500686679.db2.gz ZWWIZIAKQYNEJR-FCHUYYIVSA-N 1 1 374.488 3.042 20 30 FGEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000447928502 500690896 /nfs/dbraw/zinc/69/08/96/500690896.db2.gz RAHXNKLOYVBTIJ-HTAPYJJXSA-N 1 1 366.461 3.109 20 30 FGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000443335025 500711579 /nfs/dbraw/zinc/71/15/79/500711579.db2.gz ULKWEWNRGAGHPK-RVKKMQEKSA-N 1 1 363.889 3.068 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000438052134 500731780 /nfs/dbraw/zinc/73/17/80/500731780.db2.gz DCNHWXFCSJJBPO-HKBOAZHASA-N 1 1 371.525 3.274 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccnn3-c3ccccc3)CC2)cc1 ZINC000448216898 500734854 /nfs/dbraw/zinc/73/48/54/500734854.db2.gz HRTNSCDEMXIIQG-UHFFFAOYSA-N 1 1 357.461 3.062 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)ccc1OC ZINC000448370195 500755064 /nfs/dbraw/zinc/75/50/64/500755064.db2.gz GIUYICYZNXTWSV-FVJLSDCUSA-N 1 1 361.482 3.418 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)ccc1OC ZINC000448370195 500755067 /nfs/dbraw/zinc/75/50/67/500755067.db2.gz GIUYICYZNXTWSV-FVJLSDCUSA-N 1 1 361.482 3.418 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000448883374 500860642 /nfs/dbraw/zinc/86/06/42/500860642.db2.gz NRTJVZYSEHGKRV-UHFFFAOYSA-N 1 1 350.466 3.179 20 30 FGEDMO COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C2=O)c1 ZINC000444656667 500874369 /nfs/dbraw/zinc/87/43/69/500874369.db2.gz HJAVKIXOHCJGSL-IBGZPJMESA-N 1 1 373.497 3.461 20 30 FGEDMO CCC[C@@]1(CO)CCC[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000444765065 500894509 /nfs/dbraw/zinc/89/45/09/500894509.db2.gz DFJIPKIVGHSBOQ-NRFANRHFSA-N 1 1 357.498 3.177 20 30 FGEDMO CCOC(=O)c1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)[nH]c1C ZINC000449012813 500897177 /nfs/dbraw/zinc/89/71/77/500897177.db2.gz HGOQZEYLIVXGJR-UHFFFAOYSA-N 1 1 366.465 3.084 20 30 FGEDMO CCOC(=O)c1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)[nH]c1C ZINC000449012813 500897181 /nfs/dbraw/zinc/89/71/81/500897181.db2.gz HGOQZEYLIVXGJR-UHFFFAOYSA-N 1 1 366.465 3.084 20 30 FGEDMO N#Cc1cccc(C2(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000434852492 500901554 /nfs/dbraw/zinc/90/15/54/500901554.db2.gz IWHQQQDCBAWFDJ-NRFANRHFSA-N 1 1 359.473 3.371 20 30 FGEDMO COC(=O)[C@H](NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(C#N)c1 ZINC000434858256 500902860 /nfs/dbraw/zinc/90/28/60/500902860.db2.gz NKTKEUZJJSCZHD-NHCUHLMSSA-N 1 1 369.509 3.407 20 30 FGEDMO C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000440266405 500992741 /nfs/dbraw/zinc/99/27/41/500992741.db2.gz JOWNAPQHRQCSBN-FUHWJXTLSA-N 1 1 357.498 3.328 20 30 FGEDMO C=CCOc1ccc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)cc1Cl ZINC000449443954 501004626 /nfs/dbraw/zinc/00/46/26/501004626.db2.gz XDWLCULKWVGFIJ-KRWDZBQOSA-N 1 1 363.889 3.488 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCc3ncsc3C1)CCCC2 ZINC000445859154 501042898 /nfs/dbraw/zinc/04/28/98/501042898.db2.gz JKMSCGNQPLRNAP-UHFFFAOYSA-N 1 1 372.519 3.342 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3ncsc3C1)CCCC2 ZINC000445859154 501042901 /nfs/dbraw/zinc/04/29/01/501042901.db2.gz JKMSCGNQPLRNAP-UHFFFAOYSA-N 1 1 372.519 3.342 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000445916323 501051011 /nfs/dbraw/zinc/05/10/11/501051011.db2.gz UAJNDOPBBBIRGP-CZUORRHYSA-N 1 1 355.388 3.402 20 30 FGEDMO C=CCSCCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000436028610 501058983 /nfs/dbraw/zinc/05/89/83/501058983.db2.gz CQODDRMAFKRCGT-UHFFFAOYSA-N 1 1 371.550 3.443 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000449907977 501123209 /nfs/dbraw/zinc/12/32/09/501123209.db2.gz RBEOMRQMXLRLRU-BEFAXECRSA-N 1 1 350.466 3.320 20 30 FGEDMO C[C@@H]1[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCC[N@H+]1C ZINC000442065787 501194957 /nfs/dbraw/zinc/19/49/57/501194957.db2.gz WQASNWQKOIDVJZ-MFKMUULPSA-N 1 1 356.348 3.061 20 30 FGEDMO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000450200787 501209322 /nfs/dbraw/zinc/20/93/22/501209322.db2.gz JXRDTBOAENRHJA-WAIKUNEKSA-N 1 1 357.457 3.450 20 30 FGEDMO N#Cc1cccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000450315193 501231988 /nfs/dbraw/zinc/23/19/88/501231988.db2.gz OKOXUBVHRMIGTC-QGZVFWFLSA-N 1 1 350.422 3.443 20 30 FGEDMO C[C@@](CO)([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(O)c1 ZINC000451030892 501240547 /nfs/dbraw/zinc/24/05/47/501240547.db2.gz KDTQSXINMLDXPD-SFHVURJKSA-N 1 1 365.351 3.140 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000451057422 501242524 /nfs/dbraw/zinc/24/25/24/501242524.db2.gz QSAIWLUKBFLCHM-UHFFFAOYSA-N 1 1 361.243 3.271 20 30 FGEDMO N#CCCC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451195353 501251173 /nfs/dbraw/zinc/25/11/73/501251173.db2.gz UKPRJUFQAMTKHK-AWEZNQCLSA-N 1 1 354.235 3.459 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CC(C)(C)CO ZINC000451246082 501254635 /nfs/dbraw/zinc/25/46/35/501254635.db2.gz JBNKSHQMKGDSCW-CYBMUJFWSA-N 1 1 363.527 3.166 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CC(C)(C)CO ZINC000451246082 501254636 /nfs/dbraw/zinc/25/46/36/501254636.db2.gz JBNKSHQMKGDSCW-CYBMUJFWSA-N 1 1 363.527 3.166 20 30 FGEDMO C[N@H+]1CCC[C@@H](CCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000457586950 501263865 /nfs/dbraw/zinc/26/38/65/501263865.db2.gz HOGYWJDTOAVQJC-INIZCTEOSA-N 1 1 367.415 3.088 20 30 FGEDMO N#Cc1cc(Br)ccc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000451412367 501286533 /nfs/dbraw/zinc/28/65/33/501286533.db2.gz AGNWSGZKQWIELI-OAHLLOKOSA-N 1 1 362.271 3.067 20 30 FGEDMO C[N@@H+](CCCCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1CC1 ZINC000455380844 501287803 /nfs/dbraw/zinc/28/78/03/501287803.db2.gz HPAZLWGPRVTWAB-UHFFFAOYSA-N 1 1 370.375 3.453 20 30 FGEDMO C=CCOCCC[N@@H+](C)[C@H](CO)c1cc(OC)ccc1Br ZINC000451450912 501295367 /nfs/dbraw/zinc/29/53/67/501295367.db2.gz BZLNWDDWPPELFR-MRXNPFEDSA-N 1 1 358.276 3.016 20 30 FGEDMO C=CCOCCC[N@H+](C)[C@H](CO)c1cc(OC)ccc1Br ZINC000451450912 501295369 /nfs/dbraw/zinc/29/53/69/501295369.db2.gz BZLNWDDWPPELFR-MRXNPFEDSA-N 1 1 358.276 3.016 20 30 FGEDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ncc1C#N ZINC000457780886 501307852 /nfs/dbraw/zinc/30/78/52/501307852.db2.gz BZQGMHMTNIVLOW-FQEVSTJZSA-N 1 1 362.477 3.292 20 30 FGEDMO CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H]1C ZINC000451523154 501311885 /nfs/dbraw/zinc/31/18/85/501311885.db2.gz CLRGGHODRLUOMZ-ZHALLVOQSA-N 1 1 373.497 3.077 20 30 FGEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc(C#N)c1Br ZINC000451879286 501391936 /nfs/dbraw/zinc/39/19/36/501391936.db2.gz QCVUELXEXUPDTI-LBPRGKRZSA-N 1 1 352.276 3.171 20 30 FGEDMO O[C@@H]([C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)C(F)(F)F ZINC000451891830 501393623 /nfs/dbraw/zinc/39/36/23/501393623.db2.gz OUGOOZORYUFJPL-OCCSQVGLSA-N 1 1 367.289 3.182 20 30 FGEDMO O[C@@H]([C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)C(F)(F)F ZINC000451891830 501393624 /nfs/dbraw/zinc/39/36/24/501393624.db2.gz OUGOOZORYUFJPL-OCCSQVGLSA-N 1 1 367.289 3.182 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000451958844 501408447 /nfs/dbraw/zinc/40/84/47/501408447.db2.gz ABDWOUWJFMBDDL-UZLBHIALSA-N 1 1 358.388 3.413 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000451958844 501408448 /nfs/dbraw/zinc/40/84/48/501408448.db2.gz ABDWOUWJFMBDDL-UZLBHIALSA-N 1 1 358.388 3.413 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](CCCO)C2)c1C#N ZINC000452125249 501440741 /nfs/dbraw/zinc/44/07/41/501440741.db2.gz JJZAKXLVQONYLS-QGZVFWFLSA-N 1 1 372.513 3.125 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@H](CCCO)C2)c1C#N ZINC000452125249 501440744 /nfs/dbraw/zinc/44/07/44/501440744.db2.gz JJZAKXLVQONYLS-QGZVFWFLSA-N 1 1 372.513 3.125 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cccc(C[N@H+](CC)CCCC)c1 ZINC000458537489 501468908 /nfs/dbraw/zinc/46/89/08/501468908.db2.gz HOCTYKVQJSFODV-UXHICEINSA-N 1 1 359.514 3.451 20 30 FGEDMO C[C@@H]1CN(C(=O)Cc2c(F)cccc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000456344550 501504474 /nfs/dbraw/zinc/50/44/74/501504474.db2.gz RLRSMVOTDQUFSS-KRWDZBQOSA-N 1 1 365.452 3.220 20 30 FGEDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000456360492 501508894 /nfs/dbraw/zinc/50/88/94/501508894.db2.gz VJCDBLLICDZQDS-GOSISDBHSA-N 1 1 364.449 3.302 20 30 FGEDMO C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H](CCCC#N)c2ccccc2)CCCO1 ZINC000458707786 501512072 /nfs/dbraw/zinc/51/20/72/501512072.db2.gz BAXMOLFXDYQWNZ-UYAOXDASSA-N 1 1 372.513 3.222 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000454358104 501522436 /nfs/dbraw/zinc/52/24/36/501522436.db2.gz FXKGAXDIRWVWEM-HNAYVOBHSA-N 1 1 366.440 3.332 20 30 FGEDMO CCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459019083 501577971 /nfs/dbraw/zinc/57/79/71/501577971.db2.gz UFJZDVMDDMRBCA-IHPCNDPISA-N 1 1 354.498 3.375 20 30 FGEDMO C=CCC[C@@H](CO)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000456778366 501597060 /nfs/dbraw/zinc/59/70/60/501597060.db2.gz NZWLPGODOWSNKF-NRFANRHFSA-N 1 1 352.478 3.376 20 30 FGEDMO C=C(CC)CNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000454714442 501614222 /nfs/dbraw/zinc/61/42/22/501614222.db2.gz AEMDKZVIDJCMFC-UHFFFAOYSA-N 1 1 356.470 3.061 20 30 FGEDMO CC(C)(CC#N)CNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459242516 501618205 /nfs/dbraw/zinc/61/82/05/501618205.db2.gz RUPMMNMTCGYBNO-RTBURBONSA-N 1 1 354.498 3.090 20 30 FGEDMO COc1ccccc1C[NH+]1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596110421 506264820 /nfs/dbraw/zinc/26/48/20/506264820.db2.gz NQDRASMTJAPFDK-UHFFFAOYSA-N 1 1 366.421 3.106 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454814544 501635834 /nfs/dbraw/zinc/63/58/34/501635834.db2.gz YIZAHOJAPGQRCI-MGPUTAFESA-N 1 1 366.440 3.017 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000459433534 501653132 /nfs/dbraw/zinc/65/31/32/501653132.db2.gz NQWGOMJIEHQVQD-FQEVSTJZSA-N 1 1 351.406 3.036 20 30 FGEDMO C[C@H](C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000459475445 501660204 /nfs/dbraw/zinc/66/02/04/501660204.db2.gz GGTXBRFXXZAMKC-CVEARBPZSA-N 1 1 353.422 3.453 20 30 FGEDMO C[C@H](C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000459475445 501660207 /nfs/dbraw/zinc/66/02/07/501660207.db2.gz GGTXBRFXXZAMKC-CVEARBPZSA-N 1 1 353.422 3.453 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000459540131 501672903 /nfs/dbraw/zinc/67/29/03/501672903.db2.gz UMZOXAJPKLHXAR-RDJZCZTQSA-N 1 1 371.824 3.328 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000459540131 501672905 /nfs/dbraw/zinc/67/29/05/501672905.db2.gz UMZOXAJPKLHXAR-RDJZCZTQSA-N 1 1 371.824 3.328 20 30 FGEDMO CC[C@@H]1CN(C(=O)Nc2snc(C)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000459564254 501677695 /nfs/dbraw/zinc/67/76/95/501677695.db2.gz QFGGNPMFCWIMPA-MRXNPFEDSA-N 1 1 369.494 3.452 20 30 FGEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cnn(C)c1 ZINC000459601799 501685044 /nfs/dbraw/zinc/68/50/44/501685044.db2.gz ZSPGBHHTWVLIJU-UHFFFAOYSA-N 1 1 373.888 3.432 20 30 FGEDMO Cc1c(Cl)cncc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000457394629 501692704 /nfs/dbraw/zinc/69/27/04/501692704.db2.gz FEPIMFKKXBSHPA-UHFFFAOYSA-N 1 1 368.868 3.263 20 30 FGEDMO Cc1c(Cl)cncc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000457394629 501692706 /nfs/dbraw/zinc/69/27/06/501692706.db2.gz FEPIMFKKXBSHPA-UHFFFAOYSA-N 1 1 368.868 3.263 20 30 FGEDMO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC(C)(C)C1 ZINC000459736575 501706203 /nfs/dbraw/zinc/70/62/03/501706203.db2.gz GOKYUDNLMNWOFL-UHFFFAOYSA-N 1 1 352.400 3.294 20 30 FGEDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000481469717 501784568 /nfs/dbraw/zinc/78/45/68/501784568.db2.gz ZGTQIHPLCREOMJ-UHFFFAOYSA-N 1 1 357.498 3.439 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OCCC(C)C)c2)C1=O ZINC000467510913 501811681 /nfs/dbraw/zinc/81/16/81/501811681.db2.gz AUPFKLQRLFIJTQ-GOSISDBHSA-N 1 1 360.498 3.339 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OCCC(C)C)c2)C1=O ZINC000467510913 501811684 /nfs/dbraw/zinc/81/16/84/501811684.db2.gz AUPFKLQRLFIJTQ-GOSISDBHSA-N 1 1 360.498 3.339 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000467521488 501815643 /nfs/dbraw/zinc/81/56/43/501815643.db2.gz ZAOSIKOWHVTELV-KRWDZBQOSA-N 1 1 355.394 3.074 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000467521488 501815649 /nfs/dbraw/zinc/81/56/49/501815649.db2.gz ZAOSIKOWHVTELV-KRWDZBQOSA-N 1 1 355.394 3.074 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470920232 501855786 /nfs/dbraw/zinc/85/57/86/501855786.db2.gz WHEHWRZETPCCTD-HKUYNNGSSA-N 1 1 360.473 3.396 20 30 FGEDMO Cc1ccccc1[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000478021022 501856659 /nfs/dbraw/zinc/85/66/59/501856659.db2.gz DKNCSGQSNKXTLO-GOSISDBHSA-N 1 1 354.475 3.130 20 30 FGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000478021022 501856662 /nfs/dbraw/zinc/85/66/62/501856662.db2.gz DKNCSGQSNKXTLO-GOSISDBHSA-N 1 1 354.475 3.130 20 30 FGEDMO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCOc1ccc(C#N)cc1OC ZINC000482141651 501987743 /nfs/dbraw/zinc/98/77/43/501987743.db2.gz KJJIBUQPPQYJQZ-RBUKOAKNSA-N 1 1 359.514 3.436 20 30 FGEDMO C[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000482162054 501993045 /nfs/dbraw/zinc/99/30/45/501993045.db2.gz FXWFFSLGPDXGBU-KRWDZBQOSA-N 1 1 365.477 3.352 20 30 FGEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000485980748 502009669 /nfs/dbraw/zinc/00/96/69/502009669.db2.gz RXQBQWPEFAUKCV-JXFKEZNVSA-N 1 1 363.461 3.468 20 30 FGEDMO C[N@H+]1C[C@@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000592881186 506289809 /nfs/dbraw/zinc/28/98/09/506289809.db2.gz LKVMHRWWBBWQHA-BDTNDASRSA-N 1 1 361.489 3.221 20 30 FGEDMO CCc1cccc(Cl)c1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000475121103 502067841 /nfs/dbraw/zinc/06/78/41/502067841.db2.gz HSMRVLQWQDIZLS-UHFFFAOYSA-N 1 1 357.889 3.138 20 30 FGEDMO C[C@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000464724518 502073347 /nfs/dbraw/zinc/07/33/47/502073347.db2.gz HTHAKIQKWJVESC-MGPUTAFESA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000464724518 502073354 /nfs/dbraw/zinc/07/33/54/502073354.db2.gz HTHAKIQKWJVESC-MGPUTAFESA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1cccc(C#N)c1 ZINC000478806153 502092530 /nfs/dbraw/zinc/09/25/30/502092530.db2.gz WVAWOWWUBZGKHJ-BZNIZROVSA-N 1 1 358.239 3.198 20 30 FGEDMO COC(=O)CC[N@H+](CCOc1ccc(C#N)cc1)Cc1cccc(F)c1F ZINC000464810116 502101814 /nfs/dbraw/zinc/10/18/14/502101814.db2.gz DAWYVSQJKNQGGY-UHFFFAOYSA-N 1 1 374.387 3.281 20 30 FGEDMO COC(=O)CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1cccc(F)c1F ZINC000464810116 502101821 /nfs/dbraw/zinc/10/18/21/502101821.db2.gz DAWYVSQJKNQGGY-UHFFFAOYSA-N 1 1 374.387 3.281 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000475266549 502111428 /nfs/dbraw/zinc/11/14/28/502111428.db2.gz SBAHETJEPVNNJQ-MRXNPFEDSA-N 1 1 359.514 3.324 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000475271844 502113122 /nfs/dbraw/zinc/11/31/22/502113122.db2.gz XMNMUASXVSKRSL-BEFAXECRSA-N 1 1 369.509 3.076 20 30 FGEDMO CCOc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000475499600 502192486 /nfs/dbraw/zinc/19/24/86/502192486.db2.gz XZZMPTYKGIDUTH-UHFFFAOYSA-N 1 1 366.421 3.187 20 30 FGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000465224651 502221062 /nfs/dbraw/zinc/22/10/62/502221062.db2.gz ZJIWLBFFNAIUGW-PXNSSMCTSA-N 1 1 357.498 3.056 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCC[C@H]3C#N)cc2)C1 ZINC000461970277 502258476 /nfs/dbraw/zinc/25/84/76/502258476.db2.gz YIUSVRCFVCEQHK-UXPWSPDFSA-N 1 1 354.498 3.410 20 30 FGEDMO C=CCC[C@@H](O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486837618 502279138 /nfs/dbraw/zinc/27/91/38/502279138.db2.gz BLIFUGKVSHFIGP-DBXWQHBBSA-N 1 1 353.466 3.417 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](C)C2)c1C#N ZINC000472236027 502281090 /nfs/dbraw/zinc/28/10/90/502281090.db2.gz BOMRXNYBBWXBQA-AWEZNQCLSA-N 1 1 354.454 3.288 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CC2CCC2)[C@@H](C)CO)c1 ZINC000483130958 502283484 /nfs/dbraw/zinc/28/34/84/502283484.db2.gz AJXUBAFZMWOCDL-SFHVURJKSA-N 1 1 357.498 3.033 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000465539200 502298227 /nfs/dbraw/zinc/29/82/27/502298227.db2.gz JBTCHRBCEVQPFU-MISYRCLQSA-N 1 1 354.498 3.200 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3cc(Br)ccn3)CC2)cc1 ZINC000476088595 502381576 /nfs/dbraw/zinc/38/15/76/502381576.db2.gz DTTWHQFFRWKEEB-UHFFFAOYSA-N 1 1 371.282 3.428 20 30 FGEDMO C=C(C)CN(CC)C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483488471 502408496 /nfs/dbraw/zinc/40/84/96/502408496.db2.gz YHZKOBVDQTVLCN-YADHBBJMSA-N 1 1 369.553 3.398 20 30 FGEDMO C[C@H](c1cn(-c2ccccc2)nn1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000472766907 502435076 /nfs/dbraw/zinc/43/50/76/502435076.db2.gz GJJXKOJWKBUOGF-GOSISDBHSA-N 1 1 372.476 3.018 20 30 FGEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000476264830 502435467 /nfs/dbraw/zinc/43/54/67/502435467.db2.gz UKNDZCBKHXFQNB-VQTJNVASSA-N 1 1 366.461 3.014 20 30 FGEDMO N#Cc1cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)ccc1F ZINC000469643689 502489502 /nfs/dbraw/zinc/48/95/02/502489502.db2.gz LEXLGIKWWWRTSG-UHFFFAOYSA-N 1 1 365.452 3.478 20 30 FGEDMO C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000483904976 502518561 /nfs/dbraw/zinc/51/85/61/502518561.db2.gz INUXCCUHIZJABF-LJQANCHMSA-N 1 1 351.535 3.121 20 30 FGEDMO C[C@H](c1ccc(NC(=O)N(C)[C@H]2CCC[C@H]2C#N)cc1)[NH+]1CCOCC1 ZINC000602839300 506322341 /nfs/dbraw/zinc/32/23/41/506322341.db2.gz XVRHGBIEXQNKKK-AYBZRNKSSA-N 1 1 356.470 3.236 20 30 FGEDMO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)c(C)c3)CC2=O)cc1 ZINC000488000748 502594797 /nfs/dbraw/zinc/59/47/97/502594797.db2.gz GJNMRWXEPGFWBE-UHFFFAOYSA-N 1 1 363.461 3.110 20 30 FGEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)CC2=O)cc1 ZINC000488000748 502594802 /nfs/dbraw/zinc/59/48/02/502594802.db2.gz GJNMRWXEPGFWBE-UHFFFAOYSA-N 1 1 363.461 3.110 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000477135908 502687382 /nfs/dbraw/zinc/68/73/82/502687382.db2.gz JLBFYZZCUIVEFT-HNNXBMFYSA-N 1 1 357.458 3.342 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](O)C2(C)C)c1C#N ZINC000463232299 502728684 /nfs/dbraw/zinc/72/86/84/502728684.db2.gz ZYJUKWQWYKMQHP-GOSISDBHSA-N 1 1 372.513 3.266 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](O)C2(C)C)c1C#N ZINC000463232299 502728691 /nfs/dbraw/zinc/72/86/91/502728691.db2.gz ZYJUKWQWYKMQHP-GOSISDBHSA-N 1 1 372.513 3.266 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176822 502775311 /nfs/dbraw/zinc/77/53/11/502775311.db2.gz SPFWXHAYLLQFRB-IRFCIJBXSA-N 1 1 355.526 3.076 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176822 502775314 /nfs/dbraw/zinc/77/53/14/502775314.db2.gz SPFWXHAYLLQFRB-IRFCIJBXSA-N 1 1 355.526 3.076 20 30 FGEDMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000488670119 502777625 /nfs/dbraw/zinc/77/76/25/502777625.db2.gz JRGWNFOCNZQAEQ-ICSRJNTNSA-N 1 1 357.498 3.440 20 30 FGEDMO C=CCn1cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000488790378 502810380 /nfs/dbraw/zinc/81/03/80/502810380.db2.gz WNVXPGZASXVBIY-VQTJNVASSA-N 1 1 372.557 3.083 20 30 FGEDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1sccc1C#N)c1ccccc1 ZINC000505081228 502849339 /nfs/dbraw/zinc/84/93/39/502849339.db2.gz JAZYOUQVFDSOBZ-KRWDZBQOSA-N 1 1 357.479 3.059 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000489135891 502885964 /nfs/dbraw/zinc/88/59/64/502885964.db2.gz WQPFIVKCPNOQKY-QGZVFWFLSA-N 1 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ZINC000602897621 506341548 /nfs/dbraw/zinc/34/15/48/506341548.db2.gz NCEURCMVKACZJR-UHFFFAOYSA-N 1 1 368.506 3.155 20 30 FGEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000509549145 502932435 /nfs/dbraw/zinc/93/24/35/502932435.db2.gz MBUOSCFBNFVWRG-IBGZPJMESA-N 1 1 357.473 3.500 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)c2c(F)cc(C#N)cc2F)[C@@H]1c1cnn(C)c1 ZINC000509621135 502950422 /nfs/dbraw/zinc/95/04/22/502950422.db2.gz SVURBJRSBLJBJX-HNAYVOBHSA-N 1 1 373.451 3.479 20 30 FGEDMO C=CC[N@H+](Cc1ccc(C#N)cc1OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000501210287 502958842 /nfs/dbraw/zinc/95/88/42/502958842.db2.gz QIGPOEGMGVDLEO-MRXNPFEDSA-N 1 1 374.448 3.292 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000509663324 502961373 /nfs/dbraw/zinc/96/13/73/502961373.db2.gz BXURNBJABDYVSK-IAGOWNOFSA-N 1 1 363.461 3.302 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000501225751 502962446 /nfs/dbraw/zinc/96/24/46/502962446.db2.gz HIINBDLYXLXHOR-ABSDTBQOSA-N 1 1 363.461 3.277 20 30 FGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000489518492 502977293 /nfs/dbraw/zinc/97/72/93/502977293.db2.gz WEVJSKUTYDOVDX-MSOLQXFVSA-N 1 1 356.466 3.162 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000513632423 502986932 /nfs/dbraw/zinc/98/69/32/502986932.db2.gz CFKKTPJFFNAEOY-JOCHJYFZSA-N 1 1 361.489 3.444 20 30 FGEDMO C/C=C\c1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000497584736 502994011 /nfs/dbraw/zinc/99/40/11/502994011.db2.gz IOIFYGCCKJLNQZ-BBIZLLLXSA-N 1 1 366.461 3.472 20 30 FGEDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513724925 503010239 /nfs/dbraw/zinc/01/02/39/503010239.db2.gz NCGCKNMTCQJVFR-QGZVFWFLSA-N 1 1 363.461 3.303 20 30 FGEDMO C=CCc1ccc(OCC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000501459258 503013761 /nfs/dbraw/zinc/01/37/61/503013761.db2.gz SPLHKNSYJYPPAP-IRXDYDNUSA-N 1 1 360.498 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ZINC000489890833 503058028 /nfs/dbraw/zinc/05/80/28/503058028.db2.gz SKWJMCXTCJGALJ-IBGZPJMESA-N 1 1 350.528 3.174 20 30 FGEDMO CO[C@H](C[NH+]1CCN(c2ncccc2C#N)CC1)c1ccc(Cl)cc1 ZINC000513971811 503058247 /nfs/dbraw/zinc/05/82/47/503058247.db2.gz QOQKLJLSLRSUDM-GOSISDBHSA-N 1 1 356.857 3.116 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c(OC)c1 ZINC000510145052 503058710 /nfs/dbraw/zinc/05/87/10/503058710.db2.gz RPZOEKAWYFAOJF-IEBWSBKVSA-N 1 1 371.481 3.114 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c(OC)c1 ZINC000510145052 503058711 /nfs/dbraw/zinc/05/87/11/503058711.db2.gz RPZOEKAWYFAOJF-IEBWSBKVSA-N 1 1 371.481 3.114 20 30 FGEDMO N#C[C@H]1C[N@@H+](CCCCOc2ccccc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513978714 503059347 /nfs/dbraw/zinc/05/93/47/503059347.db2.gz QZGTYCIJOIVLMG-HTAPYJJXSA-N 1 1 361.445 3.191 20 30 FGEDMO N#C[C@H]1C[N@H+](CCCCOc2ccccc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000513978714 503059349 /nfs/dbraw/zinc/05/93/49/503059349.db2.gz QZGTYCIJOIVLMG-HTAPYJJXSA-N 1 1 361.445 3.191 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602906698 506346701 /nfs/dbraw/zinc/34/67/01/506346701.db2.gz ZLQDRFQCCNVPCR-AWEZNQCLSA-N 1 1 352.413 3.299 20 30 FGEDMO C=C(C)COCCNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510303093 503089100 /nfs/dbraw/zinc/08/91/00/503089100.db2.gz QMQMKHOPMMOYMC-AZUAARDMSA-N 1 1 359.514 3.179 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000501856047 503094627 /nfs/dbraw/zinc/09/46/27/503094627.db2.gz IDGMVOSQJHDGBQ-QGZVFWFLSA-N 1 1 359.518 3.202 20 30 FGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1c(F)cccc1C#N ZINC000506367285 503103208 /nfs/dbraw/zinc/10/32/08/503103208.db2.gz CJUFYPMDSVJIRS-UHFFFAOYSA-N 1 1 353.441 3.396 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000514219495 503115750 /nfs/dbraw/zinc/11/57/50/503115750.db2.gz SBKALIGGDGPLID-UHFFFAOYSA-N 1 1 352.478 3.384 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000514219495 503115754 /nfs/dbraw/zinc/11/57/54/503115754.db2.gz SBKALIGGDGPLID-UHFFFAOYSA-N 1 1 352.478 3.384 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(SC)CC1 ZINC000602920560 506352880 /nfs/dbraw/zinc/35/28/80/506352880.db2.gz PJAJTLQBDMCTPG-HNNXBMFYSA-N 1 1 361.511 3.158 20 30 FGEDMO C=CCOc1cccnc1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490246482 503140948 /nfs/dbraw/zinc/14/09/48/503140948.db2.gz MPNJSDXCEZFIDO-IEBWSBKVSA-N 1 1 365.477 3.287 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000498270391 503147997 /nfs/dbraw/zinc/14/79/97/503147997.db2.gz LUNKFYHFHXXUCA-CALCHBBNSA-N 1 1 363.461 3.097 20 30 FGEDMO COC(=O)c1cccc(C[NH+]2CCC(c3ccc(OC)cn3)CC2)c1C#N ZINC000593040901 506355147 /nfs/dbraw/zinc/35/51/47/506355147.db2.gz ILGBWZPWRGKBIU-UHFFFAOYSA-N 1 1 365.433 3.128 20 30 FGEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000593045589 506356391 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C=CCCCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000507269925 503264550 /nfs/dbraw/zinc/26/45/50/503264550.db2.gz LLWRBRWHBHZOPO-FQEVSTJZSA-N 1 1 356.510 3.388 20 30 FGEDMO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502940896 503312238 /nfs/dbraw/zinc/31/22/38/503312238.db2.gz RXUXXJVMYMFQRZ-UTKZUKDTSA-N 1 1 372.513 3.170 20 30 FGEDMO Cc1cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000502947841 503313401 /nfs/dbraw/zinc/31/34/01/503313401.db2.gz HFXBNBVRMFPJBX-DOTOQJQBSA-N 1 1 365.481 3.045 20 30 FGEDMO CC1CCC(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000507849461 503379448 /nfs/dbraw/zinc/37/94/48/503379448.db2.gz ZQXXMFFXTLKYQB-UHFFFAOYSA-N 1 1 355.482 3.096 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)COc1ccccc1C#N ZINC000499427597 503400298 /nfs/dbraw/zinc/40/02/98/503400298.db2.gz LGABNTZSHFBRFX-ROUUACIJSA-N 1 1 363.461 3.058 20 30 FGEDMO CC[NH+]1CCN(c2ccc(C(=O)N(C)c3ccccc3C#N)cc2F)CC1 ZINC000508079462 503425635 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1 369.509 3.435 20 30 FGEDMO C=CCNC(=O)C[NH2+][C@@H](c1ccc(OC)cc1Br)C(C)C ZINC000584261459 507242014 /nfs/dbraw/zinc/24/20/14/507242014.db2.gz FAJCTSQZMVRHBT-MRXNPFEDSA-N 1 1 355.276 3.047 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cn[nH]c1 ZINC000610487299 507259912 /nfs/dbraw/zinc/25/99/12/507259912.db2.gz HHTJFOHDMMJKMQ-UHFFFAOYSA-N 1 1 357.483 3.072 20 30 FGEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000591482763 507267978 /nfs/dbraw/zinc/26/79/78/507267978.db2.gz FEDZRKHTYPOCPB-KRWDZBQOSA-N 1 1 365.437 3.303 20 30 FGEDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000591482767 507268066 /nfs/dbraw/zinc/26/80/66/507268066.db2.gz FEDZRKHTYPOCPB-QGZVFWFLSA-N 1 1 365.437 3.303 20 30 FGEDMO N#Cc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)nc(C2CC2)n1 ZINC000601203977 507295362 /nfs/dbraw/zinc/29/53/62/507295362.db2.gz JNHOAGODRJXMNB-UHFFFAOYSA-N 1 1 358.449 3.029 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)CCC(C)(C)C#N ZINC000584378737 507312109 /nfs/dbraw/zinc/31/21/09/507312109.db2.gz WNSFBXOAWCKTHK-GOSISDBHSA-N 1 1 365.543 3.002 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c(OC(F)F)c1 ZINC000610613504 507319186 /nfs/dbraw/zinc/31/91/86/507319186.db2.gz PVRCYJPKLIPCQI-UHFFFAOYSA-N 1 1 373.407 3.077 20 30 FGEDMO N#CC1(c2ccc(CNc3cccc(C[N@@H+]4CCC[C@H]4C(N)=O)c3)cc2)CC1 ZINC000594932900 507319944 /nfs/dbraw/zinc/31/99/44/507319944.db2.gz CNMHBRWDRWKRGB-NRFANRHFSA-N 1 1 374.488 3.304 20 30 FGEDMO CC(C)(C)c1csc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000591733654 507343160 /nfs/dbraw/zinc/34/31/60/507343160.db2.gz FAPZDZMWCQSWHQ-OAHLLOKOSA-N 1 1 359.495 3.036 20 30 FGEDMO CCCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000584442191 507345481 /nfs/dbraw/zinc/34/54/81/507345481.db2.gz YVLSILPCNJFGBE-HNNXBMFYSA-N 1 1 374.428 3.366 20 30 FGEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000584442191 507345488 /nfs/dbraw/zinc/34/54/88/507345488.db2.gz YVLSILPCNJFGBE-HNNXBMFYSA-N 1 1 374.428 3.366 20 30 FGEDMO COc1ccc2ncc(C#N)c(N3CC[NH+]([C@H](C)c4cccnc4)CC3)c2c1 ZINC000591913439 507407419 /nfs/dbraw/zinc/40/74/19/507407419.db2.gz MWLVUWSMDQUQJP-MRXNPFEDSA-N 1 1 373.460 3.393 20 30 FGEDMO N#CC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCCC1 ZINC000598397386 507408273 /nfs/dbraw/zinc/40/82/73/507408273.db2.gz UWWPBYQYWKXBSN-LJQANCHMSA-N 1 1 351.494 3.489 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCOCC3(CCCC3)C2)c1C ZINC000614222863 507412915 /nfs/dbraw/zinc/41/29/15/507412915.db2.gz LNEUCFVJBHDDRP-UHFFFAOYSA-N 1 1 369.509 3.443 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCOCC3(CCCC3)C2)c1C ZINC000614222863 507412921 /nfs/dbraw/zinc/41/29/21/507412921.db2.gz LNEUCFVJBHDDRP-UHFFFAOYSA-N 1 1 369.509 3.443 20 30 FGEDMO N#Cc1cc(O)cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1 ZINC000614298441 507446236 /nfs/dbraw/zinc/44/62/36/507446236.db2.gz NNWPCJIUMXTVBV-UHFFFAOYSA-N 1 1 363.461 3.045 20 30 FGEDMO N#CCn1c(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc2ccccc21 ZINC000598507792 507465372 /nfs/dbraw/zinc/46/53/72/507465372.db2.gz CVPKSTHXZLBFQQ-IBGZPJMESA-N 1 1 358.445 3.169 20 30 FGEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000584791863 507507189 /nfs/dbraw/zinc/50/71/89/507507189.db2.gz GFOJYMAHVSUNOF-OAHLLOKOSA-N 1 1 368.403 3.356 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@](C)(C#N)C3)cc2)C1 ZINC000595457852 507508552 /nfs/dbraw/zinc/50/85/52/507508552.db2.gz FMLIWRHKOVMGFN-DYESRHJHSA-N 1 1 354.498 3.364 20 30 FGEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H](O)CC(C)(C)C#N ZINC000598589110 507508681 /nfs/dbraw/zinc/50/86/81/507508681.db2.gz DCPOOTRJVLDNEJ-SFHVURJKSA-N 1 1 358.461 3.381 20 30 FGEDMO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592154503 507509073 /nfs/dbraw/zinc/50/90/73/507509073.db2.gz SCOAHVWSARAKFU-LJQANCHMSA-N 1 1 358.873 3.052 20 30 FGEDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)cc1 ZINC000598596407 507512518 /nfs/dbraw/zinc/51/25/18/507512518.db2.gz PPYKITQPIAFOJD-IEBWSBKVSA-N 1 1 372.513 3.129 20 30 FGEDMO C[N@H+]1CC[C@@]2(C1)CCCN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 ZINC000595506534 507535765 /nfs/dbraw/zinc/53/57/65/507535765.db2.gz FAVXTLIMYTYKBB-HXUWFJFHSA-N 1 1 374.916 3.004 20 30 FGEDMO CC(C)n1cc(C2=CCC[N@@H+](CCOc3ccc(C#N)cc3)CC2)nn1 ZINC000595514488 507540587 /nfs/dbraw/zinc/54/05/87/507540587.db2.gz HTOZHEBTVJWTCT-UHFFFAOYSA-N 1 1 351.454 3.289 20 30 FGEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598718441 507566987 /nfs/dbraw/zinc/56/69/87/507566987.db2.gz FFMJHWSUHKOYTM-LJQANCHMSA-N 1 1 355.482 3.302 20 30 FGEDMO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000595615681 507594458 /nfs/dbraw/zinc/59/44/58/507594458.db2.gz RNENALSEOYCOLQ-CZUORRHYSA-N 1 1 367.371 3.316 20 30 FGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000595615681 507594461 /nfs/dbraw/zinc/59/44/61/507594461.db2.gz RNENALSEOYCOLQ-CZUORRHYSA-N 1 1 367.371 3.316 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000595693288 507631167 /nfs/dbraw/zinc/63/11/67/507631167.db2.gz LSRXOMAKRVADTI-UHFFFAOYSA-N 1 1 364.449 3.057 20 30 FGEDMO CC[N@H+]1CCCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000611357144 507641177 /nfs/dbraw/zinc/64/11/77/507641177.db2.gz CRQQGGWZZKLWPT-UHFFFAOYSA-N 1 1 365.437 3.305 20 30 FGEDMO CC(C)(C)OC(=O)CCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000595719510 507647125 /nfs/dbraw/zinc/64/71/25/507647125.db2.gz VZFYTAVGIMBOCA-UHFFFAOYSA-N 1 1 371.481 3.331 20 30 FGEDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595728625 507649706 /nfs/dbraw/zinc/64/97/06/507649706.db2.gz BLFVOONCPDSWFO-GVDBMIGSSA-N 1 1 357.410 3.020 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000611394618 507660284 /nfs/dbraw/zinc/66/02/84/507660284.db2.gz TUDZIGMPQFREKE-BHDDXSALSA-N 1 1 353.510 3.293 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000611394618 507660292 /nfs/dbraw/zinc/66/02/92/507660292.db2.gz TUDZIGMPQFREKE-BHDDXSALSA-N 1 1 353.510 3.293 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747513 507662004 /nfs/dbraw/zinc/66/20/04/507662004.db2.gz KXSRLBWDHPFJQT-ZWKOTPCHSA-N 1 1 351.406 3.064 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747513 507662011 /nfs/dbraw/zinc/66/20/11/507662011.db2.gz KXSRLBWDHPFJQT-ZWKOTPCHSA-N 1 1 351.406 3.064 20 30 FGEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000586801833 507676397 /nfs/dbraw/zinc/67/63/97/507676397.db2.gz HXZCXMWNJDBWJM-LJQANCHMSA-N 1 1 351.425 3.278 20 30 FGEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000586801833 507676402 /nfs/dbraw/zinc/67/64/02/507676402.db2.gz HXZCXMWNJDBWJM-LJQANCHMSA-N 1 1 351.425 3.278 20 30 FGEDMO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595782309 507681740 /nfs/dbraw/zinc/68/17/40/507681740.db2.gz YGBYANPEMSUHOW-PXNSSMCTSA-N 1 1 352.482 3.252 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC000595780987 507682418 /nfs/dbraw/zinc/68/24/18/507682418.db2.gz NXPDGAHGAFWVOT-CEXWTWQISA-N 1 1 357.498 3.438 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccccn2)cc1 ZINC000611442105 507684195 /nfs/dbraw/zinc/68/41/95/507684195.db2.gz SBFSHSFRYLFNHT-MRXNPFEDSA-N 1 1 352.438 3.078 20 30 FGEDMO C[N@@H+]1CCN(C(=O)c2cc3ccccc3n2CC#N)C[C@H]1Cc1ccccc1 ZINC000586841268 507691650 /nfs/dbraw/zinc/69/16/50/507691650.db2.gz DSNSYFQXTIBCGZ-HXUWFJFHSA-N 1 1 372.472 3.164 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2cc3ccccc3n2CC#N)C[C@H]1Cc1ccccc1 ZINC000586841268 507691653 /nfs/dbraw/zinc/69/16/53/507691653.db2.gz DSNSYFQXTIBCGZ-HXUWFJFHSA-N 1 1 372.472 3.164 20 30 FGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3F)c2)C1 ZINC000592524420 507695210 /nfs/dbraw/zinc/69/52/10/507695210.db2.gz FJNAZKNUTBIDHF-FQEVSTJZSA-N 1 1 358.388 3.394 20 30 FGEDMO C[C@@]1(C#N)CC[N@H+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000595834686 507707390 /nfs/dbraw/zinc/70/73/90/507707390.db2.gz NJKXXLFHBPPQCD-UWJYYQICSA-N 1 1 352.434 3.454 20 30 FGEDMO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000595834686 507707394 /nfs/dbraw/zinc/70/73/94/507707394.db2.gz NJKXXLFHBPPQCD-UWJYYQICSA-N 1 1 352.434 3.454 20 30 FGEDMO N#Cc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000587528678 507711818 /nfs/dbraw/zinc/71/18/18/507711818.db2.gz CLYZBHLPLWLFSB-MRXNPFEDSA-N 1 1 365.437 3.373 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595911624 507739339 /nfs/dbraw/zinc/73/93/39/507739339.db2.gz UXXRHFGYJFKTSW-KDURUIRLSA-N 1 1 359.857 3.043 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595911624 507739341 /nfs/dbraw/zinc/73/93/41/507739341.db2.gz UXXRHFGYJFKTSW-KDURUIRLSA-N 1 1 359.857 3.043 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000595918604 507744349 /nfs/dbraw/zinc/74/43/49/507744349.db2.gz JHIZEJAPXNLPHB-CQSZACIVSA-N 1 1 359.426 3.320 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000595918604 507744353 /nfs/dbraw/zinc/74/43/53/507744353.db2.gz JHIZEJAPXNLPHB-CQSZACIVSA-N 1 1 359.426 3.320 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCCOc2ccccc21 ZINC000330344660 568280597 /nfs/dbraw/zinc/28/05/97/568280597.db2.gz DFCUJRPQFAKORF-INIZCTEOSA-N 1 1 365.437 3.441 20 30 FGEDMO C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827951524 601305026 /nfs/dbraw/zinc/30/50/26/601305026.db2.gz XBNZUHDXTNMKEO-KKSFZXQISA-N 1 1 363.461 3.499 20 30 FGEDMO N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000833073428 601318192 /nfs/dbraw/zinc/31/81/92/601318192.db2.gz BMMPQEMUVAVODH-AZUAARDMSA-N 1 1 355.482 3.272 20 30 FGEDMO N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000833073428 601318195 /nfs/dbraw/zinc/31/81/95/601318195.db2.gz BMMPQEMUVAVODH-AZUAARDMSA-N 1 1 355.482 3.272 20 30 FGEDMO CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000825428188 608356383 /nfs/dbraw/zinc/35/63/83/608356383.db2.gz FEJFXGFOGYUVLG-CQSZACIVSA-N 1 1 362.437 3.330 20 30 FGEDMO C=CCn1c(=S)n(CN2CCC[N@H+](C3CCCC3)CC2)nc1C1CC1 ZINC000172512111 705421651 /nfs/dbraw/zinc/42/16/51/705421651.db2.gz GATRXJWKWOIFCM-UHFFFAOYSA-N 1 1 361.559 3.385 20 30 FGEDMO NC(=[NH+]OCC(=O)N(Cc1ccco1)CC(F)(F)F)C1CCCCC1 ZINC000194344693 713519455 /nfs/dbraw/zinc/51/94/55/713519455.db2.gz DBANSEQVQNKJCI-UHFFFAOYSA-N 1 1 361.364 3.040 20 30 FGEDMO CC(C)CCC(N)=[NH+]OCc1nnc(-c2ccc(Br)o2)o1 ZINC000194566206 713526258 /nfs/dbraw/zinc/52/62/58/713526258.db2.gz VDQXJMGUPXUVAY-UHFFFAOYSA-N 1 1 357.208 3.317 20 30 FGEDMO C=CCn1c(C2CC2)nn(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1=S ZINC000245464092 713605679 /nfs/dbraw/zinc/60/56/79/713605679.db2.gz XTXXXKFIPXPLGQ-SJORKVTESA-N 1 1 361.559 3.382 20 30 FGEDMO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000292748072 713772985 /nfs/dbraw/zinc/77/29/85/713772985.db2.gz ALWNXLUQGLWLEU-UHFFFAOYSA-N 1 1 360.893 3.102 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374198888 713904916 /nfs/dbraw/zinc/90/49/16/713904916.db2.gz UWSLBRXQXQVANK-GFCCVEGCSA-N 1 1 357.845 3.141 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(Cl)c(C)cc1Br ZINC000380864860 713977308 /nfs/dbraw/zinc/97/73/08/713977308.db2.gz WVIHTGGSBJVIRW-UHFFFAOYSA-N 1 1 357.679 3.096 20 30 FGEDMO C=CCOc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000642149082 717954601 /nfs/dbraw/zinc/95/46/01/717954601.db2.gz BXCFBJSXPJXWJD-HNNXBMFYSA-N 1 1 356.491 3.490 20 30 FGEDMO C=CCOc1ccc(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000642149082 717954603 /nfs/dbraw/zinc/95/46/03/717954603.db2.gz BXCFBJSXPJXWJD-HNNXBMFYSA-N 1 1 356.491 3.490 20 30 FGEDMO CO[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000619512864 714847271 /nfs/dbraw/zinc/84/72/71/714847271.db2.gz NQBHMDLSRLVKDR-ORAYPTAESA-N 1 1 361.511 3.326 20 30 FGEDMO N#CC1(C[NH2+]Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 ZINC000619535198 714849551 /nfs/dbraw/zinc/84/95/51/714849551.db2.gz HOQYTUGCWYHAOW-UHFFFAOYSA-N 1 1 354.479 3.040 20 30 FGEDMO C=CCOc1c(Cl)cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000623356354 715317859 /nfs/dbraw/zinc/31/78/59/715317859.db2.gz KWLANJPWVMSVHX-AWEZNQCLSA-N 1 1 350.890 3.487 20 30 FGEDMO C=CCOc1c(Cl)cc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000623356354 715317867 /nfs/dbraw/zinc/31/78/67/715317867.db2.gz KWLANJPWVMSVHX-AWEZNQCLSA-N 1 1 350.890 3.487 20 30 FGEDMO C[C@@H]1CCCC[C@H]1NC(=S)NN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000779759150 724425567 /nfs/dbraw/zinc/42/55/67/724425567.db2.gz HWUYSNBPFVHTBQ-TZMCWYRMSA-N 1 1 364.481 3.433 20 30 FGEDMO O=c1nc(NN=C2CC[NH+](CCC(F)(F)F)CC2)[nH]c2ccccc12 ZINC000779774878 724426264 /nfs/dbraw/zinc/42/62/64/724426264.db2.gz NWGQNIFGIFTQMX-UHFFFAOYSA-N 1 1 353.348 3.152 20 30 FGEDMO C#CCCCCCC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000779934717 724436357 /nfs/dbraw/zinc/43/63/57/724436357.db2.gz DDRIABQYRZUIPG-UHFFFAOYSA-N 1 1 361.917 3.162 20 30 FGEDMO C=CC[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000639044332 717508100 /nfs/dbraw/zinc/50/81/00/717508100.db2.gz KUIJYJWIIDWBHK-INIZCTEOSA-N 1 1 359.495 3.471 20 30 FGEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)nc1 ZINC000780556146 724479182 /nfs/dbraw/zinc/47/91/82/724479182.db2.gz UCVGMURINDKRKK-GOSISDBHSA-N 1 1 357.841 3.454 20 30 FGEDMO Cc1nc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1C#N ZINC001164627245 719080116 /nfs/dbraw/zinc/08/01/16/719080116.db2.gz PZZSBMYMVZHWGP-WMZOPIPTSA-N 1 1 367.884 3.411 20 30 FGEDMO C=CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H](C)COC ZINC000661249030 720215565 /nfs/dbraw/zinc/21/55/65/720215565.db2.gz XZWAMPPXLZPDCE-OXQOHEQNSA-N 1 1 358.507 3.477 20 30 FGEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H](C)COC ZINC000661249030 720215571 /nfs/dbraw/zinc/21/55/71/720215571.db2.gz XZWAMPPXLZPDCE-OXQOHEQNSA-N 1 1 358.507 3.477 20 30 FGEDMO C=CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)C(C)(C)C ZINC000661756409 720315559 /nfs/dbraw/zinc/31/55/59/720315559.db2.gz NOZPWAKOISVWIX-UHFFFAOYSA-N 1 1 350.260 3.244 20 30 FGEDMO C=CCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H](C)COC ZINC000663455361 720516968 /nfs/dbraw/zinc/51/69/68/720516968.db2.gz JSKBHIQTORXGPE-PBHICJAKSA-N 1 1 353.894 3.175 20 30 FGEDMO C=C[C@H](CO)Nc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000664608365 720665661 /nfs/dbraw/zinc/66/56/61/720665661.db2.gz YPKZKRGYZVOVRD-CQSZACIVSA-N 1 1 354.479 3.379 20 30 FGEDMO Cc1ccc(C#N)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165021544 721805362 /nfs/dbraw/zinc/80/53/62/721805362.db2.gz HLZWAIHCBNCPCT-CEWLAPEOSA-N 1 1 361.493 3.394 20 30 FGEDMO Cc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1C#N ZINC001165028204 721809323 /nfs/dbraw/zinc/80/93/23/721809323.db2.gz WRBHQIAOXHDNBF-DZFGPLHGSA-N 1 1 361.493 3.394 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc(C#N)c3F)C[C@@H]21 ZINC001165025534 721812032 /nfs/dbraw/zinc/81/20/32/721812032.db2.gz NKLFRAACHRWRSJ-NZSAHSFTSA-N 1 1 365.456 3.224 20 30 FGEDMO C=CCSc1ccccc1C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000681621190 722214274 /nfs/dbraw/zinc/21/42/74/722214274.db2.gz RBYSCJXTAHTJIY-KRWDZBQOSA-N 1 1 360.523 3.292 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c(Cl)c1 ZINC000784340770 724844776 /nfs/dbraw/zinc/84/47/76/724844776.db2.gz FCIZGXFUPDWXRA-MRXNPFEDSA-N 1 1 354.841 3.457 20 30 FGEDMO C#CC[C@@H](COC)[NH2+]Cc1cc(Cl)ccc1I ZINC000716375479 722416919 /nfs/dbraw/zinc/41/69/19/722416919.db2.gz QRQITLWTTYYGTM-LBPRGKRZSA-N 1 1 363.626 3.073 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000730276531 722466661 /nfs/dbraw/zinc/46/66/61/722466661.db2.gz ODYFERIGSNCYII-WZRBSPASSA-N 1 1 370.337 3.110 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000730276531 722466662 /nfs/dbraw/zinc/46/66/62/722466662.db2.gz ODYFERIGSNCYII-WZRBSPASSA-N 1 1 370.337 3.110 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000730542924 722469031 /nfs/dbraw/zinc/46/90/31/722469031.db2.gz AAHATVWQYHWZTN-CVEARBPZSA-N 1 1 351.277 3.264 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1=S ZINC000738148237 722528825 /nfs/dbraw/zinc/52/88/25/722528825.db2.gz JIIJVEITUIVZCO-HNNXBMFYSA-N 1 1 359.495 3.401 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1=S ZINC000738148237 722528826 /nfs/dbraw/zinc/52/88/26/722528826.db2.gz JIIJVEITUIVZCO-HNNXBMFYSA-N 1 1 359.495 3.401 20 30 FGEDMO C#CCSCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000740032446 722534839 /nfs/dbraw/zinc/53/48/39/722534839.db2.gz WXCUCTDVJHEVBQ-QGZVFWFLSA-N 1 1 359.539 3.084 20 30 FGEDMO C#CC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000744213875 722574607 /nfs/dbraw/zinc/57/46/07/722574607.db2.gz QZFGMJKXRMUFHQ-KRWDZBQOSA-N 1 1 366.299 3.457 20 30 FGEDMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000747676111 722656033 /nfs/dbraw/zinc/65/60/33/722656033.db2.gz RWLYRYKHGGQMHA-QGZVFWFLSA-N 1 1 353.853 3.437 20 30 FGEDMO CCOC(=O)C(F)(F)[C@@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000752746733 722869666 /nfs/dbraw/zinc/86/96/66/722869666.db2.gz JVFORVVCYFRMKZ-SECBINFHSA-N 1 1 364.190 3.238 20 30 FGEDMO O=C1Nc2ccccc2C12CCC(=[NH+]n1cc(Br)cn1)CC2 ZINC000752745547 722869669 /nfs/dbraw/zinc/86/96/69/722869669.db2.gz DEBOHIWWZONCPF-UHFFFAOYSA-N 1 1 359.227 3.314 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000756549604 722966645 /nfs/dbraw/zinc/96/66/45/722966645.db2.gz HGQJOKHAZZPGAX-CQSZACIVSA-N 1 1 362.495 3.296 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000756549604 722966646 /nfs/dbraw/zinc/96/66/46/722966646.db2.gz HGQJOKHAZZPGAX-CQSZACIVSA-N 1 1 362.495 3.296 20 30 FGEDMO C=C(Br)CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000759246481 723001987 /nfs/dbraw/zinc/00/19/87/723001987.db2.gz KTQUEKQPCBPZHV-MRXNPFEDSA-N 1 1 366.303 3.201 20 30 FGEDMO C[C@@H]1CC(N=Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)C[N@H+]1C ZINC000761810023 723186111 /nfs/dbraw/zinc/18/61/11/723186111.db2.gz QDOBRLSAAYTVBR-SNVBAGLBSA-N 1 1 350.348 3.049 20 30 FGEDMO N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000791622591 723265683 /nfs/dbraw/zinc/26/56/83/723265683.db2.gz DCKRUQITAPDQIS-PMACEKPBSA-N 1 1 355.869 3.256 20 30 FGEDMO C[C@]12CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C[C@H]1C2(Cl)Cl ZINC000792899094 723378900 /nfs/dbraw/zinc/37/89/00/723378900.db2.gz CRCBOKAFUHBPHV-OIISXLGYSA-N 1 1 369.292 3.008 20 30 FGEDMO C[N@H+](CCc1ccc(Cl)cc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793501132 723444205 /nfs/dbraw/zinc/44/42/05/723444205.db2.gz YEGAQGSQNICWBL-UHFFFAOYSA-N 1 1 355.869 3.384 20 30 FGEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793501132 723444206 /nfs/dbraw/zinc/44/42/06/723444206.db2.gz YEGAQGSQNICWBL-UHFFFAOYSA-N 1 1 355.869 3.384 20 30 FGEDMO C#CC[NH+]1CCC(c2nc(Cc3ccccc3Br)no2)CC1 ZINC000770852722 723721882 /nfs/dbraw/zinc/72/18/82/723721882.db2.gz KVLSKRBGIFWZHZ-UHFFFAOYSA-N 1 1 360.255 3.236 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798390282 723928715 /nfs/dbraw/zinc/92/87/15/723928715.db2.gz NNGLPMZVDPIPCT-QGZVFWFLSA-N 1 1 366.303 3.106 20 30 FGEDMO C#C[C@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CCCO1 ZINC000775343987 723983428 /nfs/dbraw/zinc/98/34/28/723983428.db2.gz BBKCRQDEKXNYCQ-ZWKOTPCHSA-N 1 1 374.282 3.214 20 30 FGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000775601534 724008066 /nfs/dbraw/zinc/00/80/66/724008066.db2.gz CUZSYBDJWRTYQX-HNNXBMFYSA-N 1 1 353.388 3.083 20 30 FGEDMO CC(=NNCCC[NH+]1CCOCC1)c1ccc(SCC(F)F)cc1 ZINC000799488379 724034301 /nfs/dbraw/zinc/03/43/01/724034301.db2.gz QHMUYKIVBPZCRL-UHFFFAOYSA-N 1 1 357.470 3.080 20 30 FGEDMO C#C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000775800990 724063637 /nfs/dbraw/zinc/06/36/37/724063637.db2.gz RHOXZHAORFLNOM-JSGCOSHPSA-N 1 1 360.763 3.068 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000777471424 724229206 /nfs/dbraw/zinc/22/92/06/724229206.db2.gz SRXOBCMVHYRSKE-QGZVFWFLSA-N 1 1 366.303 3.249 20 30 FGEDMO CC1([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)OCCO1 ZINC000784577257 724865047 /nfs/dbraw/zinc/86/50/47/724865047.db2.gz HCHCKPJRKIJGNK-OAHLLOKOSA-N 1 1 350.846 3.217 20 30 FGEDMO N#CCC1CC[NH+](CN2C[C@@H](c3cc(F)c(F)c(F)c3)CC2=O)CC1 ZINC000787230091 725021298 /nfs/dbraw/zinc/02/12/98/725021298.db2.gz SJFPCWNTLIUHOS-AWEZNQCLSA-N 1 1 351.372 3.003 20 30 FGEDMO C=CCSc1ccccc1NC(=O)COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805616164 725083178 /nfs/dbraw/zinc/08/31/78/725083178.db2.gz AXIGGSPBVNUDGN-UHFFFAOYSA-N 1 1 362.495 3.321 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(c3cccc(Br)n3)CC2)cc1 ZINC000809344182 725239353 /nfs/dbraw/zinc/23/93/53/725239353.db2.gz VXEZPCCXXTZJOC-UHFFFAOYSA-N 1 1 357.255 3.038 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697004 725259749 /nfs/dbraw/zinc/25/97/49/725259749.db2.gz BHHJAGXYRSKFHE-TZMCWYRMSA-N 1 1 361.791 3.345 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697004 725259751 /nfs/dbraw/zinc/25/97/51/725259751.db2.gz BHHJAGXYRSKFHE-TZMCWYRMSA-N 1 1 361.791 3.345 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(C#N)cs3)C[C@@H]21 ZINC000811490567 725369208 /nfs/dbraw/zinc/36/92/08/725369208.db2.gz UTACSCCJJLTOKO-VHDGCEQUSA-N 1 1 362.499 3.140 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(C#N)cs3)C[C@@H]21 ZINC000811490567 725369210 /nfs/dbraw/zinc/36/92/10/725369210.db2.gz UTACSCCJJLTOKO-VHDGCEQUSA-N 1 1 362.499 3.140 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000819314207 727366551 /nfs/dbraw/zinc/36/65/51/727366551.db2.gz ULGUXOPAIMBZRP-CYBMUJFWSA-N 1 1 373.975 3.391 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)Nc1cc(CC#N)ccn1)c1ccccc1Cl ZINC000871718629 735538374 /nfs/dbraw/zinc/53/83/74/735538374.db2.gz IOSCYROWWIXLFR-MRXNPFEDSA-N 1 1 357.845 3.225 20 30 FGEDMO C#C[C@@H](NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000820750171 729025613 /nfs/dbraw/zinc/02/56/13/729025613.db2.gz LMDBFECGCJMYGL-FZKQIMNGSA-N 1 1 363.864 3.279 20 30 FGEDMO C#CC[N@@H+](C)CCCNCc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000821215341 729069166 /nfs/dbraw/zinc/06/91/66/729069166.db2.gz UZJHJQARLICVJZ-UHFFFAOYSA-N 1 1 362.880 3.077 20 30 FGEDMO C#CCN(C)CCC[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000821215341 729069172 /nfs/dbraw/zinc/06/91/72/729069172.db2.gz UZJHJQARLICVJZ-UHFFFAOYSA-N 1 1 362.880 3.077 20 30 FGEDMO C=CCONC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000834934070 729846902 /nfs/dbraw/zinc/84/69/02/729846902.db2.gz RZSOGGHQYIWYKP-KRWDZBQOSA-N 1 1 357.479 3.264 20 30 FGEDMO C=CCONC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000834934070 729846906 /nfs/dbraw/zinc/84/69/06/729846906.db2.gz RZSOGGHQYIWYKP-KRWDZBQOSA-N 1 1 357.479 3.264 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000836489372 729957535 /nfs/dbraw/zinc/95/75/35/729957535.db2.gz ZECXUUZBKZOUSV-CQSZACIVSA-N 1 1 355.404 3.363 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC(C(N)=[NH+]OCCCC(C)(C)C#N)CC1 ZINC000842109847 730295095 /nfs/dbraw/zinc/29/50/95/730295095.db2.gz DNDQWIHMNSLCCR-UHFFFAOYSA-N 1 1 352.479 3.462 20 30 FGEDMO C=CCn1nnn(C[N@@H+](CCCC)[C@@H]2CCc3ncsc3C2)c1=S ZINC000842644938 730524014 /nfs/dbraw/zinc/52/40/14/730524014.db2.gz AKXHOPDNHVFFQX-CYBMUJFWSA-N 1 1 364.544 3.069 20 30 FGEDMO C=CCn1nnn(C[N@H+](CCCC)[C@@H]2CCc3ncsc3C2)c1=S ZINC000842644938 730524017 /nfs/dbraw/zinc/52/40/17/730524017.db2.gz AKXHOPDNHVFFQX-CYBMUJFWSA-N 1 1 364.544 3.069 20 30 FGEDMO Cn1c2ccc(Cl)cc2nc1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365761 730707974 /nfs/dbraw/zinc/70/79/74/730707974.db2.gz IDULXHZGADYVOB-SFHVURJKSA-N 1 1 354.841 3.264 20 30 FGEDMO Cn1c2ccc(Cl)cc2nc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365761 730707977 /nfs/dbraw/zinc/70/79/77/730707977.db2.gz IDULXHZGADYVOB-SFHVURJKSA-N 1 1 354.841 3.264 20 30 FGEDMO N#Cc1c(Cl)nsc1N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000845668200 730876973 /nfs/dbraw/zinc/87/69/73/730876973.db2.gz UMMPBWUIXNALLN-JKSUJKDBSA-N 1 1 374.897 3.148 20 30 FGEDMO COC(=O)[C@]12C[N@@H+](Cc3cc(Cl)ccc3OCC#N)C[C@H]1CCCC2 ZINC000847016250 731007204 /nfs/dbraw/zinc/00/72/04/731007204.db2.gz YLLVXRHYAQRIHW-DNVCBOLYSA-N 1 1 362.857 3.408 20 30 FGEDMO Cc1ccc(-c2ncc(C=NNCCC[NH+]3CCOCC3)s2)cc1C ZINC000848409853 731161769 /nfs/dbraw/zinc/16/17/69/731161769.db2.gz DKDKTUHXGYLHDT-UHFFFAOYSA-N 1 1 358.511 3.073 20 30 FGEDMO C#CC[N@H+](C[C@@H](O)P(=O)(OCC)OCC)[C@H]1CCc2ccccc21 ZINC000851735647 731489215 /nfs/dbraw/zinc/48/92/15/731489215.db2.gz HMVBMWIWHRBWDJ-ROUUACIJSA-N 1 1 351.383 3.194 20 30 FGEDMO CCOP(=O)(OCC)[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000851738540 731489657 /nfs/dbraw/zinc/48/96/57/731489657.db2.gz KBPVENBORSGSPN-QGZVFWFLSA-N 1 1 354.387 3.353 20 30 FGEDMO C#CC[N@H+](CCC(OC)OC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000851771669 731495263 /nfs/dbraw/zinc/49/52/63/731495263.db2.gz LVOJJGWXHHHACB-OAHLLOKOSA-N 1 1 368.271 3.217 20 30 FGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852301129 731566638 /nfs/dbraw/zinc/56/66/38/731566638.db2.gz MXAVCQVGOHHSBW-ZWKOTPCHSA-N 1 1 352.519 3.283 20 30 FGEDMO CC[N@@H+](CCNc1cc(Br)cnc1C#N)CCC(F)(F)F ZINC000853535157 731719623 /nfs/dbraw/zinc/71/96/23/731719623.db2.gz QAHWLVABAXMCDQ-UHFFFAOYSA-N 1 1 365.197 3.402 20 30 FGEDMO N#CCSc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856353285 732015298 /nfs/dbraw/zinc/01/52/98/732015298.db2.gz BCHVHVLMVAZYJE-KRWDZBQOSA-N 1 1 351.475 3.307 20 30 FGEDMO N#CCSc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000856353285 732015300 /nfs/dbraw/zinc/01/53/00/732015300.db2.gz BCHVHVLMVAZYJE-KRWDZBQOSA-N 1 1 351.475 3.307 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000858209066 732192488 /nfs/dbraw/zinc/19/24/88/732192488.db2.gz ASBZLLQPIQNPMX-OAHLLOKOSA-N 1 1 357.763 3.442 20 30 FGEDMO C#CC[C@@H](COC)Nc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000858858751 732252661 /nfs/dbraw/zinc/25/26/61/732252661.db2.gz QDWANUGXKICBKU-HNNXBMFYSA-N 1 1 358.511 3.354 20 30 FGEDMO C=C(Cl)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000859469486 732333851 /nfs/dbraw/zinc/33/38/51/732333851.db2.gz SOTPHSCYOLSIAF-HZPDHXFCSA-N 1 1 361.898 3.227 20 30 FGEDMO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H](C)C1 ZINC000860187478 732466313 /nfs/dbraw/zinc/46/63/13/732466313.db2.gz FCLBHCSYSWCWEI-BTTYYORXSA-N 1 1 350.846 3.404 20 30 FGEDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H](C)C1 ZINC000860187478 732466318 /nfs/dbraw/zinc/46/63/18/732466318.db2.gz FCLBHCSYSWCWEI-BTTYYORXSA-N 1 1 350.846 3.404 20 30 FGEDMO C[N@@H+]1CCC(=NNC2CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000863101252 732914498 /nfs/dbraw/zinc/91/44/98/732914498.db2.gz OFBREHYRRNWDJJ-QGZVFWFLSA-N 1 1 366.303 3.340 20 30 FGEDMO C[N@H+]1CCC(=NNC2CCOCC2)C[C@@H]1c1ccc(Br)cc1 ZINC000863101252 732914499 /nfs/dbraw/zinc/91/44/99/732914499.db2.gz OFBREHYRRNWDJJ-QGZVFWFLSA-N 1 1 366.303 3.340 20 30 FGEDMO C[N@@H+]1CCC(=NN[C@@H]2CCCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000863108193 732915598 /nfs/dbraw/zinc/91/55/98/732915598.db2.gz IMIYJKHEYWTBHT-SJORKVTESA-N 1 1 366.303 3.340 20 30 FGEDMO C[N@H+]1CCC(=NN[C@@H]2CCCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000863108193 732915601 /nfs/dbraw/zinc/91/56/01/732915601.db2.gz IMIYJKHEYWTBHT-SJORKVTESA-N 1 1 366.303 3.340 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)OCCC(F)(F)F)CC2)cc1 ZINC000866438123 733349334 /nfs/dbraw/zinc/34/93/34/733349334.db2.gz BQOHWPKWPDDQJN-UHFFFAOYSA-N 1 1 355.360 3.155 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)OCCC(F)(F)F)CC2)cc1 ZINC000866438123 733349335 /nfs/dbraw/zinc/34/93/35/733349335.db2.gz BQOHWPKWPDDQJN-UHFFFAOYSA-N 1 1 355.360 3.155 20 30 FGEDMO N#CCc1ccsc1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000867798114 733518625 /nfs/dbraw/zinc/51/86/25/733518625.db2.gz LKKKGPFFWDFOLJ-KRWDZBQOSA-N 1 1 371.531 3.162 20 30 FGEDMO N#CCc1ccsc1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000867798114 733518628 /nfs/dbraw/zinc/51/86/28/733518628.db2.gz LKKKGPFFWDFOLJ-KRWDZBQOSA-N 1 1 371.531 3.162 20 30 FGEDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 ZINC000870123959 733813960 /nfs/dbraw/zinc/81/39/60/733813960.db2.gz JVSRFIVRDPKBLK-AWEZNQCLSA-N 1 1 354.841 3.126 20 30 FGEDMO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000877571469 736686445 /nfs/dbraw/zinc/68/64/45/736686445.db2.gz AERHNWZPIAXCCQ-CHWSQXEVSA-N 1 1 354.841 3.063 20 30 FGEDMO C[N@@H+](CCC(=O)N1CCc2sccc2C1)CCc1cccc(C#N)c1 ZINC000879434965 736991202 /nfs/dbraw/zinc/99/12/02/736991202.db2.gz RWYWPWLZQPSKAY-UHFFFAOYSA-N 1 1 353.491 3.069 20 30 FGEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000879434408 736991295 /nfs/dbraw/zinc/99/12/95/736991295.db2.gz RFLQJRZODZSNGR-UHFFFAOYSA-N 1 1 364.417 3.229 20 30 FGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000879434408 736991296 /nfs/dbraw/zinc/99/12/96/736991296.db2.gz RFLQJRZODZSNGR-UHFFFAOYSA-N 1 1 364.417 3.229 20 30 FGEDMO CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H]1C(F)(F)F ZINC000880025977 737102325 /nfs/dbraw/zinc/10/23/25/737102325.db2.gz CTGCWDHGXKTULW-QWHCGFSZSA-N 1 1 361.408 3.315 20 30 FGEDMO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)CCC1 ZINC000886193798 739227320 /nfs/dbraw/zinc/22/73/20/739227320.db2.gz CGNMDYKFMHQVIX-HOCLYGCPSA-N 1 1 364.287 3.426 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)CCC1 ZINC000886193798 739227325 /nfs/dbraw/zinc/22/73/25/739227325.db2.gz CGNMDYKFMHQVIX-HOCLYGCPSA-N 1 1 364.287 3.426 20 30 FGEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)C[C@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193975 739228196 /nfs/dbraw/zinc/22/81/96/739228196.db2.gz GLBCJKHUXYMTIY-ZWKOTPCHSA-N 1 1 361.555 3.255 20 30 FGEDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)C[C@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193975 739228200 /nfs/dbraw/zinc/22/82/00/739228200.db2.gz GLBCJKHUXYMTIY-ZWKOTPCHSA-N 1 1 361.555 3.255 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1=O ZINC000886616206 739275874 /nfs/dbraw/zinc/27/58/74/739275874.db2.gz WXWSPXCOJYYNPF-XEZPLFJOSA-N 1 1 369.412 3.389 20 30 FGEDMO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000886759941 739293139 /nfs/dbraw/zinc/29/31/39/739293139.db2.gz UFLSVMVQQMCGFR-CYBMUJFWSA-N 1 1 354.397 3.018 20 30 FGEDMO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000886769389 739295347 /nfs/dbraw/zinc/29/53/47/739295347.db2.gz UDFGHYQKQDWBCT-ZDUSSCGKSA-N 1 1 352.862 3.079 20 30 FGEDMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)CC2 ZINC000887994676 739457334 /nfs/dbraw/zinc/45/73/34/739457334.db2.gz FXGLYLFNQVNWBU-LLVKDONJSA-N 1 1 359.227 3.027 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)C1 ZINC000888416140 739519402 /nfs/dbraw/zinc/51/94/02/739519402.db2.gz WEWFJWRVTWTDFX-LLVKDONJSA-N 1 1 355.895 3.158 20 30 FGEDMO N#Cc1sc(NC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)nc1Cl ZINC000888425792 739521529 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C[N@@H+](Cc1cn(Cc2ccc(C#N)cc2C(F)(F)F)nn1)C(C)(C)C ZINC000905811942 744058383 /nfs/dbraw/zinc/05/83/83/744058383.db2.gz PMAMQWUPSXVNGX-UHFFFAOYSA-N 1 1 351.376 3.447 20 30 FGEDMO C[C@@H]1CCCC[C@H]1NC(=S)N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000916277576 758061164 /nfs/dbraw/zinc/06/11/64/758061164.db2.gz MDTUUYKKKPPETL-CRAIPNDOSA-N 1 1 357.527 3.413 20 30 FGEDMO C=C(Br)COC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000919263843 758412276 /nfs/dbraw/zinc/41/22/76/758412276.db2.gz DQUSWBNSVYAYSD-OKILXGFUSA-N 1 1 368.271 3.361 20 30 FGEDMO C=C(Br)COC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000919263843 758412278 /nfs/dbraw/zinc/41/22/78/758412278.db2.gz DQUSWBNSVYAYSD-OKILXGFUSA-N 1 1 368.271 3.361 20 30 FGEDMO CN1CCO[C@H]([C@H]([NH2+]Cc2csc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000921953908 758827352 /nfs/dbraw/zinc/82/73/52/758827352.db2.gz ZBJAOQLVYLBPFS-ZWKOTPCHSA-N 1 1 361.898 3.435 20 30 FGEDMO Cc1nc(SCC(=O)OCC[C@@H]2CCCC[N@@H+]2C)c(C#N)c(C)c1C ZINC000924286450 759313748 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ZINC000091081238 494526735 /nfs/dbraw/zinc/52/67/35/494526735.db2.gz UCIKWEVXTKXTNR-GOSISDBHSA-N 1 1 351.454 3.110 20 30 FGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000091081238 494526737 /nfs/dbraw/zinc/52/67/37/494526737.db2.gz UCIKWEVXTKXTNR-GOSISDBHSA-N 1 1 351.454 3.110 20 30 FGEDMO C=CCOc1cccc(NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1 ZINC000056598081 494532756 /nfs/dbraw/zinc/53/27/56/494532756.db2.gz OEKKQOWAGGCRQT-SFHVURJKSA-N 1 1 361.486 3.120 20 30 FGEDMO Cc1cccc(C[NH+]2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000022773628 494533825 /nfs/dbraw/zinc/53/38/25/494533825.db2.gz HFIRKKFNITYATH-GOSISDBHSA-N 1 1 362.477 3.012 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@H+](CCOc3ccc(F)cc3)CC2)cc1 ZINC000022850292 494538489 /nfs/dbraw/zinc/53/84/89/494538489.db2.gz VHWMDJZKGZHEJX-UHFFFAOYSA-N 1 1 353.441 3.284 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(CCOc3ccc(F)cc3)CC2)cc1 ZINC000022850292 494538493 /nfs/dbraw/zinc/53/84/93/494538493.db2.gz VHWMDJZKGZHEJX-UHFFFAOYSA-N 1 1 353.441 3.284 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCOc3ccc(F)cc3)CC2)cc1 ZINC000022850292 494538495 /nfs/dbraw/zinc/53/84/95/494538495.db2.gz VHWMDJZKGZHEJX-UHFFFAOYSA-N 1 1 353.441 3.284 20 30 FGEDMO COc1ccc(C)cc1C[NH+]1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000022924428 494542194 /nfs/dbraw/zinc/54/21/94/494542194.db2.gz VIBZUVITBPCSRY-UHFFFAOYSA-N 1 1 353.441 3.332 20 30 FGEDMO C=CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574243458 505728760 /nfs/dbraw/zinc/72/87/60/505728760.db2.gz QWGWUWWMWGZLCO-LJQANCHMSA-N 1 1 374.492 3.237 20 30 FGEDMO N#Cc1cccc(Cl)c1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000091459042 494604661 /nfs/dbraw/zinc/60/46/61/494604661.db2.gz DIZFQMDDKHWXIA-UHFFFAOYSA-N 1 1 361.795 3.303 20 30 FGEDMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000067716641 494623387 /nfs/dbraw/zinc/62/33/87/494623387.db2.gz YLXMJTUZMGYPDU-AWEZNQCLSA-N 1 1 365.462 3.437 20 30 FGEDMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000067716641 494623394 /nfs/dbraw/zinc/62/33/94/494623394.db2.gz YLXMJTUZMGYPDU-AWEZNQCLSA-N 1 1 365.462 3.437 20 30 FGEDMO C[C@@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000047036442 494623725 /nfs/dbraw/zinc/62/37/25/494623725.db2.gz JTPMQIOBDCBVOX-XLIONFOSSA-N 1 1 354.498 3.354 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)CSCC#N)[C@@H]1c1cccc(Cl)c1 ZINC000131626082 494679056 /nfs/dbraw/zinc/67/90/56/494679056.db2.gz NQURBEXNPURKCF-YOEHRIQHSA-N 1 1 351.903 3.096 20 30 FGEDMO Cc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000091792361 494681643 /nfs/dbraw/zinc/68/16/43/494681643.db2.gz IFYFCIBVGNQSMF-UHFFFAOYSA-N 1 1 350.422 3.487 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385856 494694890 /nfs/dbraw/zinc/69/48/90/494694890.db2.gz IMCHBXAQKWDMAS-HXUWFJFHSA-N 1 1 363.465 3.351 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385856 494694896 /nfs/dbraw/zinc/69/48/96/494694896.db2.gz IMCHBXAQKWDMAS-HXUWFJFHSA-N 1 1 363.465 3.351 20 30 FGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000092704432 494717031 /nfs/dbraw/zinc/71/70/31/494717031.db2.gz XYBOJOYCBNRUPP-UHFFFAOYSA-N 1 1 372.428 3.157 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000057388718 494731064 /nfs/dbraw/zinc/73/10/64/494731064.db2.gz XVBWBBNXGPRWIJ-QZTJIDSGSA-N 1 1 369.509 3.386 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[NH+]1CC(C)C1 ZINC000574290588 505738930 /nfs/dbraw/zinc/73/89/30/505738930.db2.gz TVCMVKUFANKMCT-OAHLLOKOSA-N 1 1 362.433 3.089 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000092069087 494775930 /nfs/dbraw/zinc/77/59/30/494775930.db2.gz DHNPCIWHNFWQBB-UHFFFAOYSA-N 1 1 365.403 3.421 20 30 FGEDMO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000026330027 494819227 /nfs/dbraw/zinc/81/92/27/494819227.db2.gz ACELNANYWSWZFN-AWEZNQCLSA-N 1 1 352.394 3.234 20 30 FGEDMO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000026330027 494819229 /nfs/dbraw/zinc/81/92/29/494819229.db2.gz ACELNANYWSWZFN-AWEZNQCLSA-N 1 1 352.394 3.234 20 30 FGEDMO CC(C)(C#N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000126903574 494859485 /nfs/dbraw/zinc/85/94/85/494859485.db2.gz BHISZRQLZOVHKR-UHFFFAOYSA-N 1 1 364.287 3.079 20 30 FGEDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000093361112 494877895 /nfs/dbraw/zinc/87/78/95/494877895.db2.gz MLZXXUWCQDQWHA-HXUWFJFHSA-N 1 1 363.461 3.095 20 30 FGEDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093361234 494878641 /nfs/dbraw/zinc/87/86/41/494878641.db2.gz SSGJYTCLROBKAM-LJQANCHMSA-N 1 1 363.461 3.095 20 30 FGEDMO C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000117079587 494889950 /nfs/dbraw/zinc/88/99/50/494889950.db2.gz RIBWRSCOLNAAEG-OAHLLOKOSA-N 1 1 354.454 3.074 20 30 FGEDMO N#Cc1ccc(NCC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000109570356 494892036 /nfs/dbraw/zinc/89/20/36/494892036.db2.gz FVTKJSKPKLMZAS-QGZVFWFLSA-N 1 1 368.506 3.060 20 30 FGEDMO CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000132644631 494903850 /nfs/dbraw/zinc/90/38/50/494903850.db2.gz CNSDKAQNQSQWHF-UXHICEINSA-N 1 1 354.498 3.354 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000127227545 494912541 /nfs/dbraw/zinc/91/25/41/494912541.db2.gz VPBZMUNWZHCXMV-HOTGVXAUSA-N 1 1 374.529 3.320 20 30 FGEDMO CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000117350147 494913291 /nfs/dbraw/zinc/91/32/91/494913291.db2.gz FVLHFRDFDZTLBX-GOSISDBHSA-N 1 1 351.454 3.193 20 30 FGEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093889178 494931636 /nfs/dbraw/zinc/93/16/36/494931636.db2.gz IKVJACCXKQOPMB-DLUDVSRJSA-N 1 1 352.463 3.136 20 30 FGEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093889178 494931638 /nfs/dbraw/zinc/93/16/38/494931638.db2.gz IKVJACCXKQOPMB-DLUDVSRJSA-N 1 1 352.463 3.136 20 30 FGEDMO C=CCn1c(SCCC[NH+]2CCOCC2)nnc1-c1ccc(C)cc1 ZINC000122463530 494979823 /nfs/dbraw/zinc/97/98/23/494979823.db2.gz GRDJUEZAXBUDDV-UHFFFAOYSA-N 1 1 358.511 3.254 20 30 FGEDMO CC(C)c1csc([C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)n1 ZINC000127846181 495006811 /nfs/dbraw/zinc/00/68/11/495006811.db2.gz ILBBTERANKEXSP-KUHUBIRLSA-N 1 1 360.527 3.254 20 30 FGEDMO CC(C)c1csc([C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)n1 ZINC000127846181 495006815 /nfs/dbraw/zinc/00/68/15/495006815.db2.gz ILBBTERANKEXSP-KUHUBIRLSA-N 1 1 360.527 3.254 20 30 FGEDMO C=CCCOCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000122657227 495010753 /nfs/dbraw/zinc/01/07/53/495010753.db2.gz LHOGVVXVINOZSH-ICSRJNTNSA-N 1 1 359.514 3.274 20 30 FGEDMO CC(C)(C)n1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000122843188 495039553 /nfs/dbraw/zinc/03/95/53/495039553.db2.gz JDPPQDKIPSSLRG-UHFFFAOYSA-N 1 1 351.498 3.218 20 30 FGEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000111242094 495052930 /nfs/dbraw/zinc/05/29/30/495052930.db2.gz GAELVVUJKRINSE-NRFANRHFSA-N 1 1 369.440 3.275 20 30 FGEDMO C=CC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000111257289 495055325 /nfs/dbraw/zinc/05/53/25/495055325.db2.gz ZHTPCGTWVYYXBL-UHFFFAOYSA-N 1 1 366.465 3.454 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128196870 495059370 /nfs/dbraw/zinc/05/93/70/495059370.db2.gz YAWZOLOHUYPXDZ-SUMWQHHRSA-N 1 1 371.403 3.460 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128196870 495059374 /nfs/dbraw/zinc/05/93/74/495059374.db2.gz YAWZOLOHUYPXDZ-SUMWQHHRSA-N 1 1 371.403 3.460 20 30 FGEDMO CC(C)(O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000119007110 495069187 /nfs/dbraw/zinc/06/91/87/495069187.db2.gz VWZQWAKIOBZPNH-MRXNPFEDSA-N 1 1 361.511 3.062 20 30 FGEDMO N#CCCN(CCC#N)C(=O)CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000571560362 505761255 /nfs/dbraw/zinc/76/12/55/505761255.db2.gz CBASLOXKGUBIKO-IBGZPJMESA-N 1 1 370.522 3.040 20 30 FGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000134250396 495126608 /nfs/dbraw/zinc/12/66/08/495126608.db2.gz VUSXRUSEDBRLPE-KUHUBIRLSA-N 1 1 360.417 3.432 20 30 FGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000134250396 495126610 /nfs/dbraw/zinc/12/66/10/495126610.db2.gz VUSXRUSEDBRLPE-KUHUBIRLSA-N 1 1 360.417 3.432 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000134434673 495149310 /nfs/dbraw/zinc/14/93/10/495149310.db2.gz FZRCUZVJTDBVPN-PBHICJAKSA-N 1 1 363.527 3.216 20 30 FGEDMO CC[C@H](O)C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000134474215 495155357 /nfs/dbraw/zinc/15/53/57/495155357.db2.gz ASHYBJKBFTYQFC-IBGZPJMESA-N 1 1 351.450 3.160 20 30 FGEDMO COc1ccc(C[NH+]2CCC(n3c4ccccc4[nH]c3=O)CC2)cc1C#N ZINC000134956774 495231279 /nfs/dbraw/zinc/23/12/79/495231279.db2.gz IFZXRNWMDIWPEG-UHFFFAOYSA-N 1 1 362.433 3.047 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135164360 495257948 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FGEDMO COC(=O)c1ccc([C@H](C)[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000124968082 495371415 /nfs/dbraw/zinc/37/14/15/495371415.db2.gz CXTFWLPZZCMLOQ-INIZCTEOSA-N 1 1 367.449 3.207 20 30 FGEDMO COC(=O)c1ccc([C@H](C)[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000124968082 495371418 /nfs/dbraw/zinc/37/14/18/495371418.db2.gz CXTFWLPZZCMLOQ-INIZCTEOSA-N 1 1 367.449 3.207 20 30 FGEDMO C=C[C@H](CC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1ccccc1 ZINC000137150316 495427004 /nfs/dbraw/zinc/42/70/04/495427004.db2.gz JGWOMAGJMAIDPY-MRXNPFEDSA-N 1 1 351.450 3.485 20 30 FGEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCC1CCOCC1 ZINC000120723795 495444453 /nfs/dbraw/zinc/44/44/53/495444453.db2.gz GWGWALJZHTYGSE-UHFFFAOYSA-N 1 1 361.511 3.186 20 30 FGEDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C12CCCC2 ZINC000125656900 495477738 /nfs/dbraw/zinc/47/77/38/495477738.db2.gz UNHNZZXMPFVXMB-SJORKVTESA-N 1 1 359.470 3.376 20 30 FGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C12CCCC2 ZINC000125656900 495477741 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355.404 3.499 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)CCc2ccccn2)ccc1Cl ZINC000152940337 496301824 /nfs/dbraw/zinc/30/18/24/496301824.db2.gz RINUTUZKNBXHJL-UHFFFAOYSA-N 1 1 370.884 3.465 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)CCc2ccccn2)ccc1Cl ZINC000152940337 496301829 /nfs/dbraw/zinc/30/18/29/496301829.db2.gz RINUTUZKNBXHJL-UHFFFAOYSA-N 1 1 370.884 3.465 20 30 FGEDMO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000187133071 496307226 /nfs/dbraw/zinc/30/72/26/496307226.db2.gz WXIPMPORSAJPFO-UHFFFAOYSA-N 1 1 363.870 3.383 20 30 FGEDMO N#Cc1cccc(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000577994699 505836549 /nfs/dbraw/zinc/83/65/49/505836549.db2.gz RHZXEPWIQLDQKR-YADHBBJMSA-N 1 1 374.488 3.222 20 30 FGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC000181287535 496341241 /nfs/dbraw/zinc/34/12/41/496341241.db2.gz IHOHMXUHWLQCDZ-UHFFFAOYSA-N 1 1 358.223 3.046 20 30 FGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(I)cc1C ZINC000181287535 496341242 /nfs/dbraw/zinc/34/12/42/496341242.db2.gz IHOHMXUHWLQCDZ-UHFFFAOYSA-N 1 1 358.223 3.046 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172581842 496350028 /nfs/dbraw/zinc/35/00/28/496350028.db2.gz UHTJZFZVDLGNGB-LVIWNVNYSA-N 1 1 374.573 3.256 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000162560834 496373531 /nfs/dbraw/zinc/37/35/31/496373531.db2.gz BMMAHZDQNYUGLY-UHFFFAOYSA-N 1 1 360.458 3.041 20 30 FGEDMO C=CC[NH+]1CCC(NCc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000187293607 496380020 /nfs/dbraw/zinc/38/00/20/496380020.db2.gz WMNQKTYDOHVTMC-UHFFFAOYSA-N 1 1 354.450 3.473 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175418128 496383257 /nfs/dbraw/zinc/38/32/57/496383257.db2.gz GNGORYFMYLTIOP-QWXGXRTQSA-N 1 1 372.490 3.376 20 30 FGEDMO CCC(CC)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C ZINC000181462474 496406851 /nfs/dbraw/zinc/40/68/51/496406851.db2.gz FCVCJKJOTYKMBT-JOCHJYFZSA-N 1 1 356.558 3.479 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1ccc(C(C)(C)C)cc1 ZINC000580805755 505842085 /nfs/dbraw/zinc/84/20/85/505842085.db2.gz GCIAGJXOFVCGDH-QGZVFWFLSA-N 1 1 363.509 3.399 20 30 FGEDMO C[C@@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181675785 496498588 /nfs/dbraw/zinc/49/85/88/496498588.db2.gz ZYCHOVXRGIPNHD-FDRWKTFPSA-N 1 1 367.493 3.371 20 30 FGEDMO Cc1cnc(CC[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)s1 ZINC000157750250 496545869 /nfs/dbraw/zinc/54/58/69/496545869.db2.gz GIOLBPLZUXLWCE-NLGTXKQRSA-N 1 1 362.543 3.245 20 30 FGEDMO Cc1cnc(CC[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)s1 ZINC000157750250 496545875 /nfs/dbraw/zinc/54/58/75/496545875.db2.gz GIOLBPLZUXLWCE-NLGTXKQRSA-N 1 1 362.543 3.245 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000178723849 496551095 /nfs/dbraw/zinc/55/10/95/496551095.db2.gz NPOMFSYIFOTMQB-NRFANRHFSA-N 1 1 363.461 3.259 20 30 FGEDMO CCC[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000163742972 496554021 /nfs/dbraw/zinc/55/40/21/496554021.db2.gz KMODYSFEAXVBHU-UXHICEINSA-N 1 1 372.513 3.174 20 30 FGEDMO O=C(NC1CCCCC1)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000157841143 496567584 /nfs/dbraw/zinc/56/75/84/496567584.db2.gz DFVVNIBITKKTPB-UHFFFAOYSA-N 1 1 357.473 3.274 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccnc(Cl)c3)CC2)cc1 ZINC000181903327 496592955 /nfs/dbraw/zinc/59/29/55/496592955.db2.gz FVCMWQBGTZWIEJ-UHFFFAOYSA-N 1 1 369.856 3.346 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccnc(Cl)c3)CC2)cc1 ZINC000181903327 496592958 /nfs/dbraw/zinc/59/29/58/496592958.db2.gz FVCMWQBGTZWIEJ-UHFFFAOYSA-N 1 1 369.856 3.346 20 30 FGEDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000164210405 496594503 /nfs/dbraw/zinc/59/45/03/496594503.db2.gz VULPXKCZICVJSQ-AWEZNQCLSA-N 1 1 351.406 3.136 20 30 FGEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000164210405 496594511 /nfs/dbraw/zinc/59/45/11/496594511.db2.gz VULPXKCZICVJSQ-AWEZNQCLSA-N 1 1 351.406 3.136 20 30 FGEDMO C[C@@]1(CNC(=O)NCc2cccc(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000153873477 496608587 /nfs/dbraw/zinc/60/85/87/496608587.db2.gz PHSDKUMFSLYNTA-QFIPXVFZSA-N 1 1 362.477 3.412 20 30 FGEDMO C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)Nc1ccccc1 ZINC000181950596 496610790 /nfs/dbraw/zinc/61/07/90/496610790.db2.gz MKQJFDNCWJJZHL-KRWDZBQOSA-N 1 1 362.477 3.139 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000578074956 505855453 /nfs/dbraw/zinc/85/54/53/505855453.db2.gz KBSGXVNQUGONSH-LECRGTDLSA-N 1 1 374.573 3.112 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c1C ZINC000188025390 496656024 /nfs/dbraw/zinc/65/60/24/496656024.db2.gz WOICGBUKXOFVQB-HRAATJIYSA-N 1 1 357.498 3.033 20 30 FGEDMO N#Cc1cccc(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000569129650 505859187 /nfs/dbraw/zinc/85/91/87/505859187.db2.gz ICIULVNAVOKHLS-NRFANRHFSA-N 1 1 365.452 3.411 20 30 FGEDMO N#Cc1cccc(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000569129650 505859192 /nfs/dbraw/zinc/85/91/92/505859192.db2.gz ICIULVNAVOKHLS-NRFANRHFSA-N 1 1 365.452 3.411 20 30 FGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NCCCCn1cc[nH+]c1C ZINC000173428520 496690349 /nfs/dbraw/zinc/69/03/49/496690349.db2.gz ORSUHRBTAIHVHX-UHFFFAOYSA-N 1 1 353.470 3.465 20 30 FGEDMO CCC[C@@H]1CCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000273304873 496769280 /nfs/dbraw/zinc/76/92/80/496769280.db2.gz LKOLSHRLLTWENF-ZBFHGGJFSA-N 1 1 352.438 3.166 20 30 FGEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000273304873 496769283 /nfs/dbraw/zinc/76/92/83/496769283.db2.gz LKOLSHRLLTWENF-ZBFHGGJFSA-N 1 1 352.438 3.166 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191512291 496792079 /nfs/dbraw/zinc/79/20/79/496792079.db2.gz FZHGKDLUACNXPU-LJQANCHMSA-N 1 1 362.433 3.298 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191512291 496792082 /nfs/dbraw/zinc/79/20/82/496792082.db2.gz FZHGKDLUACNXPU-LJQANCHMSA-N 1 1 362.433 3.298 20 30 FGEDMO N#C[C@H](C(=O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)c1nc2ccccc2c(=O)[nH]1 ZINC000264087409 496808554 /nfs/dbraw/zinc/80/85/54/496808554.db2.gz SBBLBOSZARKSOS-KYJSFNMBSA-N 1 1 364.449 3.166 20 30 FGEDMO N#C[C@H](C(=O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21)c1nc2ccccc2c(=O)[nH]1 ZINC000264087409 496808558 /nfs/dbraw/zinc/80/85/58/496808558.db2.gz SBBLBOSZARKSOS-KYJSFNMBSA-N 1 1 364.449 3.166 20 30 FGEDMO N#Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000578130960 505868870 /nfs/dbraw/zinc/86/88/70/505868870.db2.gz RPUNQAMDVMEASK-AWEZNQCLSA-N 1 1 355.467 3.048 20 30 FGEDMO C=CCOc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000247357496 496843175 /nfs/dbraw/zinc/84/31/75/496843175.db2.gz MCBHCWVEVYVVAN-JENIJYKNSA-N 1 1 373.497 3.357 20 30 FGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000247731101 496910143 /nfs/dbraw/zinc/91/01/43/496910143.db2.gz UQUBLYBELQVVRF-CRAIPNDOSA-N 1 1 357.479 3.072 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000191938444 496937545 /nfs/dbraw/zinc/93/75/45/496937545.db2.gz OTDHTXQXPRPWOU-KRWDZBQOSA-N 1 1 371.525 3.325 20 30 FGEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)nc1 ZINC000192108382 496997586 /nfs/dbraw/zinc/99/75/86/496997586.db2.gz BKHUTZBWWARBGG-KRWDZBQOSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2cccc(C#N)c2)CC1 ZINC000278082631 496998075 /nfs/dbraw/zinc/99/80/75/496998075.db2.gz XKFGUWYTWUELAS-UHFFFAOYSA-N 1 1 350.422 3.015 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572054730 505878639 /nfs/dbraw/zinc/87/86/39/505878639.db2.gz OLLPIRNGVDOAKA-WDSOQIARSA-N 1 1 368.880 3.446 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572054730 505878640 /nfs/dbraw/zinc/87/86/40/505878640.db2.gz OLLPIRNGVDOAKA-WDSOQIARSA-N 1 1 368.880 3.446 20 30 FGEDMO CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000269819842 497007122 /nfs/dbraw/zinc/00/71/22/497007122.db2.gz IJVBRPOBVCTFSW-BBRMVZONSA-N 1 1 373.457 3.073 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248437921 497011367 /nfs/dbraw/zinc/01/13/67/497011367.db2.gz HLICVXJBVYHERU-JLZZUVOBSA-N 1 1 366.868 3.462 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248437921 497011372 /nfs/dbraw/zinc/01/13/72/497011372.db2.gz HLICVXJBVYHERU-JLZZUVOBSA-N 1 1 366.868 3.462 20 30 FGEDMO C=C(C)[C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)OCC ZINC000270102933 497058731 /nfs/dbraw/zinc/05/87/31/497058731.db2.gz QVXAHMFJGHJHFQ-AEFFLSMTSA-N 1 1 350.528 3.448 20 30 FGEDMO C#CC[C@H](NC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C)c1ccccc1 ZINC000270176541 497071948 /nfs/dbraw/zinc/07/19/48/497071948.db2.gz DFUSGUPDJKCWPP-JBACZVJFSA-N 1 1 371.525 3.187 20 30 FGEDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000274517913 497114918 /nfs/dbraw/zinc/11/49/18/497114918.db2.gz RREWWNVCQFBPOH-SFHVURJKSA-N 1 1 367.449 3.333 20 30 FGEDMO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265656935 497155796 /nfs/dbraw/zinc/15/57/96/497155796.db2.gz QLBDDHQCIWJVFT-ZVZYQTTQSA-N 1 1 366.465 3.412 20 30 FGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265656935 497155802 /nfs/dbraw/zinc/15/58/02/497155802.db2.gz QLBDDHQCIWJVFT-ZVZYQTTQSA-N 1 1 366.465 3.412 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1cccs1 ZINC000249077448 497160136 /nfs/dbraw/zinc/16/01/36/497160136.db2.gz KYUSIADBDTWNJV-YJBOKZPZSA-N 1 1 355.463 3.138 20 30 FGEDMO COC(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000249153202 497177070 /nfs/dbraw/zinc/17/70/70/497177070.db2.gz YEEHRBFVFKBCNM-CZUORRHYSA-N 1 1 355.356 3.068 20 30 FGEDMO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000249153202 497177072 /nfs/dbraw/zinc/17/70/72/497177072.db2.gz YEEHRBFVFKBCNM-CZUORRHYSA-N 1 1 355.356 3.068 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1C ZINC000249595091 497226119 /nfs/dbraw/zinc/22/61/19/497226119.db2.gz WOICGBUKXOFVQB-IIBYNOLFSA-N 1 1 357.498 3.033 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(F)c(C#N)c1 ZINC000278859183 497245507 /nfs/dbraw/zinc/24/55/07/497245507.db2.gz LYQVJLTVZXBKNN-QGZVFWFLSA-N 1 1 351.425 3.291 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)CC2(CO)CC2)c1C#N ZINC000190033489 497333106 /nfs/dbraw/zinc/33/31/06/497333106.db2.gz MSWNHVPABCVFSV-UHFFFAOYSA-N 1 1 372.513 3.125 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CC2(CO)CC2)c1C#N ZINC000190033489 497333111 /nfs/dbraw/zinc/33/31/11/497333111.db2.gz MSWNHVPABCVFSV-UHFFFAOYSA-N 1 1 372.513 3.125 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245498262 497430838 /nfs/dbraw/zinc/43/08/38/497430838.db2.gz VSLBXEZOSGCBRX-QHAWAJNXSA-N 1 1 358.526 3.102 20 30 FGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000266904483 497443038 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N#CCCn1cc(C[N@@H+]2CCC[C@H](CCO)CC2)c(-c2ccccc2)n1 ZINC000421399668 500038091 /nfs/dbraw/zinc/03/80/91/500038091.db2.gz QMFZVWRRDXNNQX-SFHVURJKSA-N 1 1 352.482 3.448 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000425231216 500051044 /nfs/dbraw/zinc/05/10/44/500051044.db2.gz TWOHEISLRNVWHK-QGZVFWFLSA-N 1 1 350.422 3.443 20 30 FGEDMO C=CCC[C@@H](O)C[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429363194 500060280 /nfs/dbraw/zinc/06/02/80/500060280.db2.gz PMZVKFNPGSVZQV-HXUWFJFHSA-N 1 1 352.478 3.151 20 30 FGEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000413833287 500070744 /nfs/dbraw/zinc/07/07/44/500070744.db2.gz KJKMWJJDYVTWHE-SFTDATJTSA-N 1 1 371.525 3.070 20 30 FGEDMO C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCCC[C@H]1C ZINC000416678223 500083570 /nfs/dbraw/zinc/08/35/70/500083570.db2.gz GGPCTPSGFZMGJL-GQIGUUNPSA-N 1 1 354.498 3.498 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000425424130 500101630 /nfs/dbraw/zinc/10/16/30/500101630.db2.gz ORSXOLLOBOIPKA-YYWHXJBOSA-N 1 1 371.525 3.309 20 30 FGEDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000421704908 500122823 /nfs/dbraw/zinc/12/28/23/500122823.db2.gz QBTZEEGYDWTOCW-HXUWFJFHSA-N 1 1 363.461 3.303 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429727539 500133365 /nfs/dbraw/zinc/13/33/65/500133365.db2.gz BZRGRCJOLYOBHL-AWEZNQCLSA-N 1 1 359.430 3.146 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000425545043 500140402 /nfs/dbraw/zinc/14/04/02/500140402.db2.gz UFFNTHRJCDYPNP-HNNXBMFYSA-N 1 1 365.433 3.351 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000425545043 500140403 /nfs/dbraw/zinc/14/04/03/500140403.db2.gz UFFNTHRJCDYPNP-HNNXBMFYSA-N 1 1 365.433 3.351 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000425569372 500149057 /nfs/dbraw/zinc/14/90/57/500149057.db2.gz YXTBRJYCXMKQAV-ACRUOGEOSA-N 1 1 371.525 3.131 20 30 FGEDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)[C@@H]2C1 ZINC000425659253 500173331 /nfs/dbraw/zinc/17/33/31/500173331.db2.gz VRXLWADVURUWRL-GHTZIAJQSA-N 1 1 360.461 3.039 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000430180997 500204982 /nfs/dbraw/zinc/20/49/82/500204982.db2.gz UGDNNRFUTKJNRP-RCFWFJCLSA-N 1 1 350.378 3.028 20 30 FGEDMO CN(C(=O)NCc1ccc(C#N)s1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422214352 500235354 /nfs/dbraw/zinc/23/53/54/500235354.db2.gz GYVBYECPJCUKNJ-KRWDZBQOSA-N 1 1 368.506 3.426 20 30 FGEDMO C=C(C)COc1cc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)ccc1OC ZINC000426563923 500289526 /nfs/dbraw/zinc/28/95/26/500289526.db2.gz ZFPUNQXNJHHTST-GOSISDBHSA-N 1 1 374.525 3.335 20 30 FGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCC2(CC#N)CC2)CC1 ZINC000431055197 500329505 /nfs/dbraw/zinc/32/95/05/500329505.db2.gz HBCHBGXTGPWKSU-UHFFFAOYSA-N 1 1 354.498 3.234 20 30 FGEDMO O[C@@H]([C@@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000426999554 500343119 /nfs/dbraw/zinc/34/31/19/500343119.db2.gz XJXZGHAJDJQAGU-KBPBESRZSA-N 1 1 351.290 3.445 20 30 FGEDMO O[C@@H]([C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000426999554 500343121 /nfs/dbraw/zinc/34/31/21/500343121.db2.gz XJXZGHAJDJQAGU-KBPBESRZSA-N 1 1 351.290 3.445 20 30 FGEDMO Cc1ncccc1OC[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000419403948 500362656 /nfs/dbraw/zinc/36/26/56/500362656.db2.gz SEVNQGVSWZKZNJ-MRXNPFEDSA-N 1 1 370.478 3.195 20 30 FGEDMO C[C@H]1C[C@H](N(C)C(=O)NCC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000419628606 500386320 /nfs/dbraw/zinc/38/63/20/500386320.db2.gz PYYQBAHVZYBPAD-PKOBYXMFSA-N 1 1 354.498 3.375 20 30 FGEDMO C=CCC[C@@H]1NC(=O)N(Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1=O ZINC000419921448 500407097 /nfs/dbraw/zinc/40/70/97/500407097.db2.gz IFCCJOGVVKETSG-LPHOPBHVSA-N 1 1 355.482 3.448 20 30 FGEDMO C=CCC[C@@H]1NC(=O)N(CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1=O ZINC000419932212 500408014 /nfs/dbraw/zinc/40/80/14/500408014.db2.gz FETGZTGZSHBWFI-QRQLOZEOSA-N 1 1 355.482 3.174 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ncc(C#N)cc1Cl ZINC000428024870 500459210 /nfs/dbraw/zinc/45/92/10/500459210.db2.gz XMMGNSYCFYKZJX-HNNXBMFYSA-N 1 1 368.868 3.343 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424298269 500483109 /nfs/dbraw/zinc/48/31/09/500483109.db2.gz UGMLSTJKZKDWKB-INIZCTEOSA-N 1 1 359.539 3.367 20 30 FGEDMO C=CC[N@H+](Cc1cccc(F)c1C#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000428247560 500486772 /nfs/dbraw/zinc/48/67/72/500486772.db2.gz KBHUXHGZUFIPTI-OAHLLOKOSA-N 1 1 362.412 3.422 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(F)c1C#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000428247560 500486774 /nfs/dbraw/zinc/48/67/74/500486774.db2.gz KBHUXHGZUFIPTI-OAHLLOKOSA-N 1 1 362.412 3.422 20 30 FGEDMO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1cccc(F)c1C#N)CC2 ZINC000428359601 500500099 /nfs/dbraw/zinc/50/00/99/500500099.db2.gz BBHAMXWVPHAJST-UHFFFAOYSA-N 1 1 370.424 3.324 20 30 FGEDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cccc(F)c1C#N)CC2 ZINC000428359601 500500103 /nfs/dbraw/zinc/50/01/03/500500103.db2.gz BBHAMXWVPHAJST-UHFFFAOYSA-N 1 1 370.424 3.324 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000424528404 500513566 /nfs/dbraw/zinc/51/35/66/500513566.db2.gz GLYNWDWPCGQBKK-AABGKKOBSA-N 1 1 356.510 3.385 20 30 FGEDMO C=CCCn1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nn1 ZINC000424600608 500525402 /nfs/dbraw/zinc/52/54/02/500525402.db2.gz KHDWCKPLWZONLA-MRXNPFEDSA-N 1 1 353.470 3.481 20 30 FGEDMO C=CCC1(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)CCOCC1 ZINC000424628802 500531015 /nfs/dbraw/zinc/53/10/15/500531015.db2.gz XLACKEWUNTYNPA-UHFFFAOYSA-N 1 1 357.429 3.309 20 30 FGEDMO CO[C@H](C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1 ZINC000428784192 500557020 /nfs/dbraw/zinc/55/70/20/500557020.db2.gz OKSFLDJRVOSCFE-ZWKOTPCHSA-N 1 1 357.841 3.447 20 30 FGEDMO CCc1ccc([C@@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)cc1 ZINC000433076357 500621329 /nfs/dbraw/zinc/62/13/29/500621329.db2.gz NLLWVWRPFVLASM-HXUWFJFHSA-N 1 1 368.502 3.384 20 30 FGEDMO CCc1ccc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)cc1 ZINC000433076357 500621331 /nfs/dbraw/zinc/62/13/31/500621331.db2.gz NLLWVWRPFVLASM-HXUWFJFHSA-N 1 1 368.502 3.384 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)c(O)c2)C1 ZINC000442864816 500636396 /nfs/dbraw/zinc/63/63/96/500636396.db2.gz GZJUVSGEBIQPQP-INIZCTEOSA-N 1 1 363.461 3.426 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000433240277 500653055 /nfs/dbraw/zinc/65/30/55/500653055.db2.gz AGDARRHXEFZDQW-JTDSTZFVSA-N 1 1 354.498 3.102 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433310302 500669338 /nfs/dbraw/zinc/66/93/38/500669338.db2.gz BFIOGXJNPSJFDH-PKOBYXMFSA-N 1 1 356.853 3.441 20 30 FGEDMO Cc1cccc2nc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)cn21 ZINC000433313689 500669686 /nfs/dbraw/zinc/66/96/86/500669686.db2.gz RNCBSZLGXOVNCR-UHFFFAOYSA-N 1 1 371.448 3.105 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000437707744 500684380 /nfs/dbraw/zinc/68/43/80/500684380.db2.gz VMRAGJOAHCROOX-BZSNNMDCSA-N 1 1 351.535 3.167 20 30 FGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000443335023 500711325 /nfs/dbraw/zinc/71/13/25/500711325.db2.gz ULKWEWNRGAGHPK-IIDMSEBBSA-N 1 1 363.889 3.068 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448258588 500741482 /nfs/dbraw/zinc/74/14/82/500741482.db2.gz XDZGCPONLCAVNS-SFHVURJKSA-N 1 1 374.485 3.413 20 30 FGEDMO CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438314306 500768274 /nfs/dbraw/zinc/76/82/74/500768274.db2.gz OPAMEXYYANFOFX-ABHNRTSZSA-N 1 1 359.470 3.211 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444036834 500795208 /nfs/dbraw/zinc/79/52/08/500795208.db2.gz ZCVCCJFVMNWFTQ-KRWDZBQOSA-N 1 1 366.509 3.416 20 30 FGEDMO O=C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444190193 500815906 /nfs/dbraw/zinc/81/59/06/500815906.db2.gz XZPNMVSFOAEAJT-WMZOPIPTSA-N 1 1 364.411 3.438 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434354007 500830775 /nfs/dbraw/zinc/83/07/75/500830775.db2.gz CFCJQMZUKFFIQW-IBGZPJMESA-N 1 1 372.469 3.309 20 30 FGEDMO N#Cc1cccc(OCC[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)c1 ZINC000611577320 506220474 /nfs/dbraw/zinc/22/04/74/506220474.db2.gz UOLTXTBBXCJHEY-GOSISDBHSA-N 1 1 364.367 3.362 20 30 FGEDMO N#Cc1cccc(OCC[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)c1 ZINC000611577320 506220478 /nfs/dbraw/zinc/22/04/78/506220478.db2.gz UOLTXTBBXCJHEY-GOSISDBHSA-N 1 1 364.367 3.362 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579037 506220997 /nfs/dbraw/zinc/22/09/97/506220997.db2.gz HCWYOUOJLSJCKL-DIODGJHASA-N 1 1 357.445 3.009 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579037 506221001 /nfs/dbraw/zinc/22/10/01/506221001.db2.gz HCWYOUOJLSJCKL-DIODGJHASA-N 1 1 357.445 3.009 20 30 FGEDMO CCC[C@@]1(CO)CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000444775036 500897710 /nfs/dbraw/zinc/89/77/10/500897710.db2.gz LOUSPMITHXEKLV-NRFANRHFSA-N 1 1 357.498 3.177 20 30 FGEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)C[C@H](O)COc1ccccc1 ZINC000444803305 500904260 /nfs/dbraw/zinc/90/42/60/500904260.db2.gz PMXBRJWNXQDQSF-IBGZPJMESA-N 1 1 354.450 3.087 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000439699822 500928856 /nfs/dbraw/zinc/92/88/56/500928856.db2.gz ZKWBSCGGEHIBLC-GOSISDBHSA-N 1 1 357.498 3.342 20 30 FGEDMO COc1cc2ccccc2cc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000449244645 500956165 /nfs/dbraw/zinc/95/61/65/500956165.db2.gz UTFSBSKJRCXSSB-UHFFFAOYSA-N 1 1 358.445 3.437 20 30 FGEDMO Cc1ccc(N2CCC(NC(=O)C3(c4cccc(C#N)c4)CC3)CC2)[nH+]c1 ZINC000435358761 500960088 /nfs/dbraw/zinc/96/00/88/500960088.db2.gz RLQYLKSAUSBVJS-UHFFFAOYSA-N 1 1 360.461 3.079 20 30 FGEDMO Cc1nc2ccccc2nc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000602596423 506227373 /nfs/dbraw/zinc/22/73/73/506227373.db2.gz LAJVNLSAQOAQPM-HXUWFJFHSA-N 1 1 371.444 3.095 20 30 FGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@](O)(C(F)F)C3)c2)c1 ZINC000449468374 501009827 /nfs/dbraw/zinc/00/98/27/501009827.db2.gz KUHBLOSXQZJVMF-HXUWFJFHSA-N 1 1 358.388 3.339 20 30 FGEDMO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000440487477 501014481 /nfs/dbraw/zinc/01/44/81/501014481.db2.gz KSVVXFSVVSFGPS-HXUWFJFHSA-N 1 1 362.901 3.087 20 30 FGEDMO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000440487477 501014482 /nfs/dbraw/zinc/01/44/82/501014482.db2.gz KSVVXFSVVSFGPS-HXUWFJFHSA-N 1 1 362.901 3.087 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000435731221 501019509 /nfs/dbraw/zinc/01/95/09/501019509.db2.gz KIEUXTYRXPKONH-OXJNMPFZSA-N 1 1 363.933 3.163 20 30 FGEDMO C[C@@H]1[C@H](C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)CC[N@H+]1C ZINC000592757753 506230639 /nfs/dbraw/zinc/23/06/39/506230639.db2.gz PSLCVBSZBRBRHT-MAODMQOUSA-N 1 1 363.461 3.287 20 30 FGEDMO C[C@@H]1C[NH+](Cc2cccc(Nc3ncc(C#N)cc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000450341719 501095684 /nfs/dbraw/zinc/09/56/84/501095684.db2.gz MKQDOVOINPKDOO-ZIAGYGMSSA-N 1 1 367.409 3.214 20 30 FGEDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000446732989 501158563 /nfs/dbraw/zinc/15/85/63/501158563.db2.gz YOWLSAZXESDYFQ-UHFFFAOYSA-N 1 1 374.529 3.464 20 30 FGEDMO C=CCOc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1OC ZINC000446855181 501174278 /nfs/dbraw/zinc/17/42/78/501174278.db2.gz HJGIZVAPBRWPOQ-UHFFFAOYSA-N 1 1 368.393 3.334 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)[C@]1(C#N)CC12CCCC2)C1CC1 ZINC000450765340 501204614 /nfs/dbraw/zinc/20/46/14/501204614.db2.gz RRWAWOZVHXDKLQ-SIKLNZKXSA-N 1 1 351.494 3.487 20 30 FGEDMO CO[C@@H](Cc1ccccc1)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000450212012 501211367 /nfs/dbraw/zinc/21/13/67/501211367.db2.gz BQHYEIHCUVWPES-QHCPKHFHSA-N 1 1 363.505 3.324 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450298721 501228876 /nfs/dbraw/zinc/22/88/76/501228876.db2.gz NKLDTOUUAVXULE-UXHICEINSA-N 1 1 354.494 3.092 20 30 FGEDMO COC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000451052240 501242124 /nfs/dbraw/zinc/24/21/24/501242124.db2.gz AHSBYNUERWHEKL-OAHLLOKOSA-N 1 1 371.824 3.047 20 30 FGEDMO COC(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000451052240 501242125 /nfs/dbraw/zinc/24/21/25/501242125.db2.gz AHSBYNUERWHEKL-OAHLLOKOSA-N 1 1 371.824 3.047 20 30 FGEDMO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000451156223 501248813 /nfs/dbraw/zinc/24/88/13/501248813.db2.gz QXAXGXUNSWCQQW-INIZCTEOSA-N 1 1 360.502 3.123 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000455268207 501259557 /nfs/dbraw/zinc/25/95/57/501259557.db2.gz CGKPGNIYBGTGSL-DMUMMCEESA-N 1 1 354.498 3.373 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451416081 501288320 /nfs/dbraw/zinc/28/83/20/501288320.db2.gz GASDQNSQGVGLIS-KANFNMMFSA-N 1 1 362.539 3.277 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451419122 501288928 /nfs/dbraw/zinc/28/89/28/501288928.db2.gz NEBWYLDBRHWNDN-UOAMXJAYSA-N 1 1 361.873 3.164 20 30 FGEDMO CCO[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000451524658 501312711 /nfs/dbraw/zinc/31/27/11/501312711.db2.gz LLZJFBWXZOJOKW-KKSFZXQISA-N 1 1 353.466 3.485 20 30 FGEDMO CCO[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000451524658 501312713 /nfs/dbraw/zinc/31/27/13/501312713.db2.gz LLZJFBWXZOJOKW-KKSFZXQISA-N 1 1 353.466 3.485 20 30 FGEDMO CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C ZINC000451553578 501321595 /nfs/dbraw/zinc/32/15/95/501321595.db2.gz ZUXIFLAGDLHEEA-HEHGZKQESA-N 1 1 361.511 3.182 20 30 FGEDMO CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C ZINC000451553578 501321598 /nfs/dbraw/zinc/32/15/98/501321598.db2.gz ZUXIFLAGDLHEEA-HEHGZKQESA-N 1 1 361.511 3.182 20 30 FGEDMO C=CCn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000453411120 501326149 /nfs/dbraw/zinc/32/61/49/501326149.db2.gz CICYWAUJSYMXLZ-LJQANCHMSA-N 1 1 373.545 3.408 20 30 FGEDMO C=C(C)Cn1c(N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453462547 501338873 /nfs/dbraw/zinc/33/88/73/501338873.db2.gz HJWDOXPSHHHYGJ-SQGPQFPESA-N 1 1 361.534 3.189 20 30 FGEDMO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453467705 501340371 /nfs/dbraw/zinc/34/03/71/501340371.db2.gz ROZVWDXIIVHGOB-SOLBZPMBSA-N 1 1 355.486 3.281 20 30 FGEDMO CC[C@H]1C[N@@H+](CC)CCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000451725739 501360847 /nfs/dbraw/zinc/36/08/47/501360847.db2.gz OJNQUXOAYCFUCM-KRWDZBQOSA-N 1 1 362.905 3.003 20 30 FGEDMO COc1ccccc1[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[NH+](C)C ZINC000455757061 501380275 /nfs/dbraw/zinc/38/02/75/501380275.db2.gz OJUIDRLNQUROSE-MRXNPFEDSA-N 1 1 373.844 3.040 20 30 FGEDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455806562 501389989 /nfs/dbraw/zinc/38/99/89/501389989.db2.gz YOQCHYIGKYZXOU-PBHICJAKSA-N 1 1 356.470 3.436 20 30 FGEDMO CCN1CCN(CC(C)(C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000451988060 501414173 /nfs/dbraw/zinc/41/41/73/501414173.db2.gz PBCPWNLERWPPSX-UHFFFAOYSA-N 1 1 367.459 3.063 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H]1c1ccccc1 ZINC000452003743 501416948 /nfs/dbraw/zinc/41/69/48/501416948.db2.gz JAYTWPUMMQRRBO-VQTJNVASSA-N 1 1 359.429 3.200 20 30 FGEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CC(=O)NCc3ccc(C#N)cc3)C2)c1 ZINC000452013545 501419068 /nfs/dbraw/zinc/41/90/68/501419068.db2.gz HBMBIWICVWTARG-MXVIHJGJSA-N 1 1 363.461 3.061 20 30 FGEDMO C=CC(C)(C)CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000453879047 501420675 /nfs/dbraw/zinc/42/06/75/501420675.db2.gz JCEYDYDDKJTSBJ-MRXNPFEDSA-N 1 1 357.498 3.185 20 30 FGEDMO CCC[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1CCOC ZINC000456021574 501439850 /nfs/dbraw/zinc/43/98/50/501439850.db2.gz RTJNBOMVHNPICH-HXUWFJFHSA-N 1 1 371.525 3.086 20 30 FGEDMO C[C@H](CNC(=O)NCc1ccc(C#N)c(F)c1)[N@@H+]1CCc2sccc2C1 ZINC000454242655 501490257 /nfs/dbraw/zinc/49/02/57/501490257.db2.gz DKDNDWRCJWXTBE-CYBMUJFWSA-N 1 1 372.469 3.005 20 30 FGEDMO C[C@H](CNC(=O)NCc1ccc(C#N)c(F)c1)[N@H+]1CCc2sccc2C1 ZINC000454242655 501490260 /nfs/dbraw/zinc/49/02/60/501490260.db2.gz DKDNDWRCJWXTBE-CYBMUJFWSA-N 1 1 372.469 3.005 20 30 FGEDMO CC(C)(C#N)CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000611690213 506258156 /nfs/dbraw/zinc/25/81/56/506258156.db2.gz KLCOFOLCFHLIBE-KRWDZBQOSA-N 1 1 353.388 3.107 20 30 FGEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458831255 501540246 /nfs/dbraw/zinc/54/02/46/501540246.db2.gz GYUJMMBCUVCUEE-LJQANCHMSA-N 1 1 372.513 3.174 20 30 FGEDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458831255 501540248 /nfs/dbraw/zinc/54/02/48/501540248.db2.gz GYUJMMBCUVCUEE-LJQANCHMSA-N 1 1 372.513 3.174 20 30 FGEDMO CC(C)(CC#N)CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000459233650 501617047 /nfs/dbraw/zinc/61/70/47/501617047.db2.gz IYUWCGVMACHYCW-OAQYLSRUSA-N 1 1 354.498 3.234 20 30 FGEDMO C=CCC1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCCC1 ZINC000454829490 501638713 /nfs/dbraw/zinc/63/87/13/501638713.db2.gz YKOPIZLJLYCUAX-FQEVSTJZSA-N 1 1 371.525 3.189 20 30 FGEDMO CN1CC[C@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000459444225 501654876 /nfs/dbraw/zinc/65/48/76/501654876.db2.gz QTNGNTOLPRSSJC-PKOBYXMFSA-N 1 1 372.375 3.280 20 30 FGEDMO Cc1nsc(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1C#N ZINC000459553325 501675344 /nfs/dbraw/zinc/67/53/44/501675344.db2.gz XZXHWYZTNYTTOL-UHFFFAOYSA-N 1 1 357.483 3.485 20 30 FGEDMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000459558663 501676501 /nfs/dbraw/zinc/67/65/01/501676501.db2.gz GYRBOFWOIXULNS-LBPRGKRZSA-N 1 1 365.275 3.174 20 30 FGEDMO Cc1nsc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1C#N ZINC000459598009 501684315 /nfs/dbraw/zinc/68/43/15/501684315.db2.gz YOGUOBLZMUINKN-OAHLLOKOSA-N 1 1 355.467 3.109 20 30 FGEDMO CCOC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000459724669 501704451 /nfs/dbraw/zinc/70/44/51/501704451.db2.gz WQOFUYGXAVBNFC-LJQANCHMSA-N 1 1 357.498 3.441 20 30 FGEDMO CCOC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000459724669 501704453 /nfs/dbraw/zinc/70/44/53/501704453.db2.gz WQOFUYGXAVBNFC-LJQANCHMSA-N 1 1 357.498 3.441 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000457518190 501714813 /nfs/dbraw/zinc/71/48/13/501714813.db2.gz QMHCBXPOBYIJHB-NEWSRXKRSA-N 1 1 362.539 3.448 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c(C#N)c1C ZINC000459814849 501717913 /nfs/dbraw/zinc/71/79/13/501717913.db2.gz USWBITKRPAKKDU-YPMHNXCESA-N 1 1 363.458 3.005 20 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ZINC000463657024 501786872 /nfs/dbraw/zinc/78/68/72/501786872.db2.gz HAIYGFKDYMDFRN-AWEZNQCLSA-N 1 1 366.431 3.182 20 30 FGEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000460382243 501809772 /nfs/dbraw/zinc/80/97/72/501809772.db2.gz UNKHCBGGADXFDY-UHFFFAOYSA-N 1 1 354.502 3.304 20 30 FGEDMO C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460379810 501809890 /nfs/dbraw/zinc/80/98/90/501809890.db2.gz JXHVJWSAHOSVAJ-QGZVFWFLSA-N 1 1 367.497 3.203 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470811403 501813038 /nfs/dbraw/zinc/81/30/38/501813038.db2.gz MUPLHZDLEDWFKB-HOTGVXAUSA-N 1 1 362.449 3.198 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCC[C@H](C)C1 ZINC000481612910 501831918 /nfs/dbraw/zinc/83/19/18/501831918.db2.gz INANWDQPJFSACK-HNNXBMFYSA-N 1 1 360.502 3.074 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC2(CCC2)C1 ZINC000470867980 501835720 /nfs/dbraw/zinc/83/57/20/501835720.db2.gz HSPUXSPXESNXLP-UHFFFAOYSA-N 1 1 372.513 3.218 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCC2(CCC2)C1 ZINC000470867980 501835724 /nfs/dbraw/zinc/83/57/24/501835724.db2.gz HSPUXSPXESNXLP-UHFFFAOYSA-N 1 1 372.513 3.218 20 30 FGEDMO Cc1cc(N(C)S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc[nH+]1 ZINC000463851851 501839152 /nfs/dbraw/zinc/83/91/52/501839152.db2.gz ZAHGYGSDHUOASI-UHFFFAOYSA-N 1 1 355.341 3.106 20 30 FGEDMO Cc1cc(N(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc[nH+]1 ZINC000463871058 501843946 /nfs/dbraw/zinc/84/39/46/501843946.db2.gz PLLAGBWWNPQNMZ-UHFFFAOYSA-N 1 1 355.341 3.106 20 30 FGEDMO C=C(C)C[N@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1ccccc1 ZINC000470921726 501856280 /nfs/dbraw/zinc/85/62/80/501856280.db2.gz ZYKCMQZEMWIXKG-IBGZPJMESA-N 1 1 366.461 3.021 20 30 FGEDMO C=C(C)C[N@@H+](CC(=O)NC[C@H]1COc2ccccc2O1)Cc1ccccc1 ZINC000470921726 501856286 /nfs/dbraw/zinc/85/62/86/501856286.db2.gz ZYKCMQZEMWIXKG-IBGZPJMESA-N 1 1 366.461 3.021 20 30 FGEDMO COc1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000460598873 501871995 /nfs/dbraw/zinc/87/19/95/501871995.db2.gz MQLCNDMHCDKXRB-FQEVSTJZSA-N 1 1 363.461 3.095 20 30 FGEDMO CC(C)[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)N1CCN(C)CC1 ZINC000481919526 501918775 /nfs/dbraw/zinc/91/87/75/501918775.db2.gz STZMTTPXABCKMX-YADHBBJMSA-N 1 1 354.542 3.187 20 30 FGEDMO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1)OCC ZINC000482012439 501948040 /nfs/dbraw/zinc/94/80/40/501948040.db2.gz BMXAFTMYTAXQHO-ONTIZHBOSA-N 1 1 372.509 3.461 20 30 FGEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460942734 501965373 /nfs/dbraw/zinc/96/53/73/501965373.db2.gz DCTBSDUBCNXSHW-IRXDYDNUSA-N 1 1 357.502 3.151 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485928058 501989929 /nfs/dbraw/zinc/98/99/29/501989929.db2.gz CTACGYSXVMGBCT-NJDAHSKKSA-N 1 1 356.510 3.338 20 30 FGEDMO CC(C)(C)CN1CCC[C@@H]([N@H+]2CCCN(c3ccccc3C#N)CC2)C1=O ZINC000461388267 502090235 /nfs/dbraw/zinc/09/02/35/502090235.db2.gz NGRWQDZBLPKREH-HXUWFJFHSA-N 1 1 368.525 3.107 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000464821022 502105832 /nfs/dbraw/zinc/10/58/32/502105832.db2.gz GEZIFYXTZKONDR-CABCVRRESA-N 1 1 352.400 3.294 20 30 FGEDMO Cc1c(C#N)cccc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443202 502117270 /nfs/dbraw/zinc/11/72/70/502117270.db2.gz GRSBVHOFCKQTFS-LEWJYISDSA-N 1 1 359.473 3.461 20 30 FGEDMO CN(C(=O)CCCCCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000588655875 506294362 /nfs/dbraw/zinc/29/43/62/506294362.db2.gz LGMQVFCFHCIZQM-UXHICEINSA-N 1 1 362.562 3.256 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000482711832 502159582 /nfs/dbraw/zinc/15/95/82/502159582.db2.gz SIJRTSLOJCFZBG-RBUKOAKNSA-N 1 1 359.518 3.179 20 30 FGEDMO COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[NH+](C)C ZINC000461736875 502185672 /nfs/dbraw/zinc/18/56/72/502185672.db2.gz MPKHDNZPASYJFE-HNAYVOBHSA-N 1 1 351.450 3.089 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000472090684 502227280 /nfs/dbraw/zinc/22/72/80/502227280.db2.gz PLMYZNXLJXFYKE-YLJYHZDGSA-N 1 1 366.509 3.257 20 30 FGEDMO Cc1cc(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000486739377 502247119 /nfs/dbraw/zinc/24/71/19/502247119.db2.gz OLMVCBZGGQACQB-UHFFFAOYSA-N 1 1 372.490 3.171 20 30 FGEDMO Cc1cc(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)ccc1C#N ZINC000486739377 502247127 /nfs/dbraw/zinc/24/71/27/502247127.db2.gz OLMVCBZGGQACQB-UHFFFAOYSA-N 1 1 372.490 3.171 20 30 FGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000461954171 502250763 /nfs/dbraw/zinc/25/07/63/502250763.db2.gz FSVYYWQYYWDQBX-WOJBJXKFSA-N 1 1 354.498 3.232 20 30 FGEDMO N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000461966695 502256174 /nfs/dbraw/zinc/25/61/74/502256174.db2.gz QINWLKTWYKPAJL-VQTJNVASSA-N 1 1 354.498 3.029 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000472272254 502293750 /nfs/dbraw/zinc/29/37/50/502293750.db2.gz DDQFVTZLPUAHCF-CQSZACIVSA-N 1 1 360.502 3.072 20 30 FGEDMO CCC(CC)CN(CCC#N)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000469123660 502306665 /nfs/dbraw/zinc/30/66/65/502306665.db2.gz JYISWWSSMZARLX-OAQYLSRUSA-N 1 1 371.525 3.456 20 30 FGEDMO CCC(CC)CN(CCC#N)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000469123660 502306669 /nfs/dbraw/zinc/30/66/69/502306669.db2.gz JYISWWSSMZARLX-OAQYLSRUSA-N 1 1 371.525 3.456 20 30 FGEDMO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000472323137 502314413 /nfs/dbraw/zinc/31/44/13/502314413.db2.gz SYJPKSGKRYGAJH-VFNWGFHPSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000472323137 502314416 /nfs/dbraw/zinc/31/44/16/502314416.db2.gz SYJPKSGKRYGAJH-VFNWGFHPSA-N 1 1 351.425 3.397 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582582279 506306619 /nfs/dbraw/zinc/30/66/19/506306619.db2.gz GLTXDJGCBHQLNN-SXLOBPIMSA-N 1 1 357.498 3.026 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582582279 506306625 /nfs/dbraw/zinc/30/66/25/506306625.db2.gz GLTXDJGCBHQLNN-SXLOBPIMSA-N 1 1 357.498 3.026 20 30 FGEDMO C=C(C)CN(CC)C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483488468 502407325 /nfs/dbraw/zinc/40/73/25/502407325.db2.gz YHZKOBVDQTVLCN-VXKWHMMOSA-N 1 1 369.553 3.398 20 30 FGEDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000472709137 502424030 /nfs/dbraw/zinc/42/40/30/502424030.db2.gz DXOPCEDAWOYJJN-UHFFFAOYSA-N 1 1 372.391 3.353 20 30 FGEDMO C=CCCCCNC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000472826783 502451232 /nfs/dbraw/zinc/45/12/32/502451232.db2.gz CPBVWEYCYWATKO-HDICACEKSA-N 1 1 359.514 3.451 20 30 FGEDMO C=CCCCCNC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000472826783 502451235 /nfs/dbraw/zinc/45/12/35/502451235.db2.gz CPBVWEYCYWATKO-HDICACEKSA-N 1 1 359.514 3.451 20 30 FGEDMO C=CCCCCNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000472840767 502455101 /nfs/dbraw/zinc/45/51/01/502455101.db2.gz MBZIRXNNGLEEMO-HDICACEKSA-N 1 1 359.514 3.451 20 30 FGEDMO C=CC[N@H+](CCOc1ccc(F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213358 506314615 /nfs/dbraw/zinc/31/46/15/506314615.db2.gz DEILDOXIYHDTSH-INIZCTEOSA-N 1 1 367.428 3.429 20 30 FGEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000582593469 506314998 /nfs/dbraw/zinc/31/49/98/506314998.db2.gz SRGSTEBBPNAGMS-UHFFFAOYSA-N 1 1 357.461 3.384 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCSCc2ccccc2C#N)C[C@@H]1C ZINC000483709527 502471439 /nfs/dbraw/zinc/47/14/39/502471439.db2.gz FHLGWIUJZRSYAM-LPHOPBHVSA-N 1 1 374.554 3.306 20 30 FGEDMO C[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)c1cccc(C#N)c1 ZINC000462536921 502479358 /nfs/dbraw/zinc/47/93/58/502479358.db2.gz GKKWVSPUFIOCOT-XLIONFOSSA-N 1 1 362.477 3.037 20 30 FGEDMO C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cccc(C#N)c1 ZINC000462539417 502480271 /nfs/dbraw/zinc/48/02/71/502480271.db2.gz OFASGVPADUYDSV-NDXORKPFSA-N 1 1 362.477 3.208 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000469675298 502499612 /nfs/dbraw/zinc/49/96/12/502499612.db2.gz OTDWKAVNVTXWQY-MJUUVYJYSA-N 1 1 356.510 3.385 20 30 FGEDMO CCC[C@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000476521207 502513073 /nfs/dbraw/zinc/51/30/73/502513073.db2.gz HFIYMUJPEYMVBV-UXHICEINSA-N 1 1 357.498 3.033 20 30 FGEDMO C=CCN(CC1CCCCC1)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000483904974 502518377 /nfs/dbraw/zinc/51/83/77/502518377.db2.gz INUXCCUHIZJABF-IBGZPJMESA-N 1 1 351.535 3.121 20 30 FGEDMO N#Cc1c(F)cccc1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000469860877 502572246 /nfs/dbraw/zinc/57/22/46/502572246.db2.gz VJTQIXBDNNXGPN-INIZCTEOSA-N 1 1 369.465 3.045 20 30 FGEDMO N#Cc1c(F)cccc1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000469860877 502572251 /nfs/dbraw/zinc/57/22/51/502572251.db2.gz VJTQIXBDNNXGPN-INIZCTEOSA-N 1 1 369.465 3.045 20 30 FGEDMO Cc1ccc2ncc(C#N)c(N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)c2c1 ZINC000488082146 502621523 /nfs/dbraw/zinc/62/15/23/502621523.db2.gz CVQWVGHBUNPITH-IBGZPJMESA-N 1 1 363.509 3.021 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)ccc1C#N ZINC000463026866 502665014 /nfs/dbraw/zinc/66/50/14/502665014.db2.gz CNCXJYLDUFTRQU-JOCHJYFZSA-N 1 1 350.462 3.384 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000473841690 502720147 /nfs/dbraw/zinc/72/01/47/502720147.db2.gz GLBUDZDNMIOVFX-LLGFUMIMSA-N 1 1 360.498 3.463 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000473841690 502720151 /nfs/dbraw/zinc/72/01/51/502720151.db2.gz GLBUDZDNMIOVFX-LLGFUMIMSA-N 1 1 360.498 3.463 20 30 FGEDMO C[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000481117469 502759105 /nfs/dbraw/zinc/75/91/05/502759105.db2.gz XQILAVOFOASSDE-QGZVFWFLSA-N 1 1 374.488 3.293 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000484950978 502785621 /nfs/dbraw/zinc/78/56/21/502785621.db2.gz QTGSICOZXONUFU-JAXLGGSGSA-N 1 1 356.510 3.196 20 30 FGEDMO C=CCCN(C)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000467140525 502800390 /nfs/dbraw/zinc/80/03/90/502800390.db2.gz RWAFMFSMXSFXSC-UHFFFAOYSA-N 1 1 357.498 3.424 20 30 FGEDMO Cc1ccc2ncc(C#N)c(N3CCC([N@H+]4CCCOCC4)CC3)c2c1 ZINC000596267879 506335815 /nfs/dbraw/zinc/33/58/15/506335815.db2.gz AVMCLTJLQJBNOF-UHFFFAOYSA-N 1 1 350.466 3.106 20 30 FGEDMO Cc1c(C#N)cccc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000513044850 502837652 /nfs/dbraw/zinc/83/76/52/502837652.db2.gz YTXXQZSCPQHAJT-MRXNPFEDSA-N 1 1 363.461 3.017 20 30 FGEDMO Cc1c(C#N)cccc1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000513044850 502837658 /nfs/dbraw/zinc/83/76/58/502837658.db2.gz YTXXQZSCPQHAJT-MRXNPFEDSA-N 1 1 363.461 3.017 20 30 FGEDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000513199562 502876146 /nfs/dbraw/zinc/87/61/46/502876146.db2.gz ANQMMSWGGGPDFT-MRXNPFEDSA-N 1 1 368.399 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C[N@@H+](CCc1cccc(NC[C@@H](O)COc2ccccc2C#N)c1)C1CC1 ZINC000530238642 503888479 /nfs/dbraw/zinc/88/84/79/503888479.db2.gz SBNWUCSBPDVJOE-OAQYLSRUSA-N 1 1 365.477 3.047 20 30 FGEDMO COc1cc2c(cc1F)C[N@H+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000540839380 503909827 /nfs/dbraw/zinc/90/98/27/503909827.db2.gz WXLAOVYBFHMKGO-UHFFFAOYSA-N 1 1 353.397 3.093 20 30 FGEDMO COc1cc2c(cc1F)C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC2 ZINC000540839380 503909834 /nfs/dbraw/zinc/90/98/34/503909834.db2.gz WXLAOVYBFHMKGO-UHFFFAOYSA-N 1 1 353.397 3.093 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000543915050 503940339 /nfs/dbraw/zinc/94/03/39/503940339.db2.gz LLTAWGHREVXWHL-SFHVURJKSA-N 1 1 355.482 3.051 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCOCC3(CC3)C2)c1 ZINC000543915050 503940342 /nfs/dbraw/zinc/94/03/42/503940342.db2.gz LLTAWGHREVXWHL-SFHVURJKSA-N 1 1 355.482 3.051 20 30 FGEDMO CCCCOc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1 ZINC000546967251 503941087 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FGEDMO C=C(C)Cn1c(-c2scnc2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000518769488 504058830 /nfs/dbraw/zinc/05/88/30/504058830.db2.gz XKSKBFLDLZDCRH-KBPBESRZSA-N 1 1 360.531 3.205 20 30 FGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000534172948 504061768 /nfs/dbraw/zinc/06/17/68/504061768.db2.gz JGIWSKBMJNOKSP-MRXNPFEDSA-N 1 1 351.450 3.316 20 30 FGEDMO CC(C)C[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(C#N)cc1 ZINC000544347570 504097494 /nfs/dbraw/zinc/09/74/94/504097494.db2.gz ZOTFVNBFIHDPGW-UHFFFAOYSA-N 1 1 360.465 3.251 20 30 FGEDMO CC(C)C[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(C#N)cc1 ZINC000544347570 504097497 /nfs/dbraw/zinc/09/74/97/504097497.db2.gz ZOTFVNBFIHDPGW-UHFFFAOYSA-N 1 1 360.465 3.251 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534381619 504125747 /nfs/dbraw/zinc/12/57/47/504125747.db2.gz AZGJFWAXFMDIGZ-SJLPKXTDSA-N 1 1 362.539 3.400 20 30 FGEDMO C=CC[C@@H](CO)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000538125634 504137663 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361.461 3.112 20 30 FGEDMO COCCC1CC[NH+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000528576726 504280181 /nfs/dbraw/zinc/28/01/81/504280181.db2.gz YZIUAAOIILKDIQ-ZDUSSCGKSA-N 1 1 361.511 3.184 20 30 FGEDMO C=CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000528598636 504290096 /nfs/dbraw/zinc/29/00/96/504290096.db2.gz SIZIIFYBANQLHE-CGTJXYLNSA-N 1 1 355.507 3.440 20 30 FGEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535017565 504314960 /nfs/dbraw/zinc/31/49/60/504314960.db2.gz JPUPKQUIMNQFJQ-LBPRGKRZSA-N 1 1 358.467 3.198 20 30 FGEDMO Cc1ncc2c(n1)CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000535075211 504335193 /nfs/dbraw/zinc/33/51/93/504335193.db2.gz NMWUVOTZVVHPQP-UHFFFAOYSA-N 1 1 358.449 3.121 20 30 FGEDMO Cc1ncc2c(n1)CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000535075211 504335195 /nfs/dbraw/zinc/33/51/95/504335195.db2.gz NMWUVOTZVVHPQP-UHFFFAOYSA-N 1 1 358.449 3.121 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762657 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368.403 3.273 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000520173797 504426091 /nfs/dbraw/zinc/42/60/91/504426091.db2.gz BXEMHLUONOWVQB-UHFFFAOYSA-N 1 1 353.441 3.472 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000528885345 504434142 /nfs/dbraw/zinc/43/41/42/504434142.db2.gz RHYLMOFDSWTWSC-LJQANCHMSA-N 1 1 364.449 3.157 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000528885345 504434147 /nfs/dbraw/zinc/43/41/47/504434147.db2.gz RHYLMOFDSWTWSC-LJQANCHMSA-N 1 1 364.449 3.157 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531869016 504452347 /nfs/dbraw/zinc/45/23/47/504452347.db2.gz VYVOEAPSOYPCEV-IRXDYDNUSA-N 1 1 350.503 3.019 20 30 FGEDMO CC[N@@H+](CCC1CCN(C(=O)Cc2ccc(C#N)nc2)CC1)CC(C)C ZINC000528963462 504471829 /nfs/dbraw/zinc/47/18/29/504471829.db2.gz LZGMXQZHBBQOPQ-UHFFFAOYSA-N 1 1 356.514 3.102 20 30 FGEDMO Cn1c2c(nc1[C@@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1)CCCC2 ZINC000548677557 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356.388 3.155 20 30 FGEDMO CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCOC1 ZINC000609631721 506953842 /nfs/dbraw/zinc/95/38/42/506953842.db2.gz QPJXVJVDURDUPJ-AWEZNQCLSA-N 1 1 361.511 3.186 20 30 FGEDMO C=CC[N@H+](CCc1ncc(C)cc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000583809225 506985540 /nfs/dbraw/zinc/98/55/40/506985540.db2.gz JABPLXQRRCWWBC-GOSISDBHSA-N 1 1 362.481 3.466 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800883 507007659 /nfs/dbraw/zinc/00/76/59/507007659.db2.gz USMBOXCJRXYGHK-AZUAARDMSA-N 1 1 354.475 3.088 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594216141 507015535 /nfs/dbraw/zinc/01/55/35/507015535.db2.gz IYZWJPHXICNPNQ-DLBZAZTESA-N 1 1 354.498 3.357 20 30 FGEDMO N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594215825 507015791 /nfs/dbraw/zinc/01/57/91/507015791.db2.gz RFXNOTRMYREUNG-OALUTQOASA-N 1 1 372.538 3.108 20 30 FGEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 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FGEDMO C[N@@H+]1CCN(C(=O)c2cc3ccccc3n2CC#N)C[C@@H]1Cc1ccccc1 ZINC000586841267 507691401 /nfs/dbraw/zinc/69/14/01/507691401.db2.gz DSNSYFQXTIBCGZ-FQEVSTJZSA-N 1 1 372.472 3.164 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2cc3ccccc3n2CC#N)C[C@@H]1Cc1ccccc1 ZINC000586841267 507691407 /nfs/dbraw/zinc/69/14/07/507691407.db2.gz DSNSYFQXTIBCGZ-FQEVSTJZSA-N 1 1 372.472 3.164 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000595827103 507704059 /nfs/dbraw/zinc/70/40/59/507704059.db2.gz ASWGHVSMANDHCG-DYESRHJHSA-N 1 1 369.509 3.289 20 30 FGEDMO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000595834685 507706943 /nfs/dbraw/zinc/70/69/43/507706943.db2.gz NJKXXLFHBPPQCD-UTKZUKDTSA-N 1 1 352.434 3.454 20 30 FGEDMO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000595834685 507706950 /nfs/dbraw/zinc/70/69/50/507706950.db2.gz NJKXXLFHBPPQCD-UTKZUKDTSA-N 1 1 352.434 3.454 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCO)CCc2ccccc2)c(Br)c1 ZINC000611500560 507707639 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COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194908 607509098 /nfs/dbraw/zinc/50/90/98/607509098.db2.gz ZLWYKKPQRFQEEA-RTBURBONSA-N 1 1 374.448 3.147 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194908 607509099 /nfs/dbraw/zinc/50/90/99/607509099.db2.gz ZLWYKKPQRFQEEA-RTBURBONSA-N 1 1 374.448 3.147 20 30 FGEDMO C=CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823909618 608631192 /nfs/dbraw/zinc/63/11/92/608631192.db2.gz LAEJDXLBBVUPFP-MRXNPFEDSA-N 1 1 374.448 3.346 20 30 FGEDMO C=C(Br)C[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862303 700219664 /nfs/dbraw/zinc/21/96/64/700219664.db2.gz JCQQZPSSKFGGDO-LLVKDONJSA-N 1 1 357.214 3.018 20 30 FGEDMO C=C(Br)C[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862303 700219669 /nfs/dbraw/zinc/21/96/69/700219669.db2.gz JCQQZPSSKFGGDO-LLVKDONJSA-N 1 1 357.214 3.018 20 30 FGEDMO C=C(Br)CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000077553757 700255926 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Cc1cccc(S(=O)(=O)CCCO[NH+]=C(N)CCc2ccccc2)c1 ZINC000165895195 705341575 /nfs/dbraw/zinc/34/15/75/705341575.db2.gz IZNTYTXUVIQGOG-UHFFFAOYSA-N 1 1 360.479 3.080 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000187638805 712750257 /nfs/dbraw/zinc/75/02/57/712750257.db2.gz HXTQQWJWJSMYCK-QFBILLFUSA-N 1 1 350.528 3.136 20 30 FGEDMO CCS(=O)(=O)CCCCCO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000190623377 712818473 /nfs/dbraw/zinc/81/84/73/712818473.db2.gz ZRGPRAYAEULPKD-UHFFFAOYSA-N 1 1 356.532 3.097 20 30 FGEDMO C=C(Br)CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247101097 713636052 /nfs/dbraw/zinc/63/60/52/713636052.db2.gz XEYGVQWDFKVXKQ-HUUCEWRRSA-N 1 1 358.324 3.191 20 30 FGEDMO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc(CC#N)cc2Cl)CCCO1 ZINC000455734314 714061311 /nfs/dbraw/zinc/06/13/11/714061311.db2.gz PDMKAPOAOFJAHH-AWEZNQCLSA-N 1 1 364.877 3.028 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(c3cncc(Br)c3)CC2)cc1 ZINC000525707358 714371019 /nfs/dbraw/zinc/37/10/19/714371019.db2.gz 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CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(Cl)cc1C#N)[C@@H]2C ZINC001164859710 720988160 /nfs/dbraw/zinc/98/81/60/720988160.db2.gz LRMCDCFAHPTSIH-CYBMUJFWSA-N 1 1 358.877 3.225 20 30 FGEDMO N#Cc1ccc2ccnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164781043 721405577 /nfs/dbraw/zinc/40/55/77/721405577.db2.gz AJYXYTRHPZOCJP-IAGOWNOFSA-N 1 1 361.474 3.131 20 30 FGEDMO N#Cc1cnc(Cl)cc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900533 721514759 /nfs/dbraw/zinc/51/47/59/721514759.db2.gz RWOZQSIGTMQWOA-RDJZCZTQSA-N 1 1 372.831 3.088 20 30 FGEDMO Cc1cc(C#N)cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911141 721764205 /nfs/dbraw/zinc/76/42/05/721764205.db2.gz MVYKDQFFLFPRGP-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO Cc1cc(C#N)cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911141 721764206 /nfs/dbraw/zinc/76/42/06/721764206.db2.gz MVYKDQFFLFPRGP-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO C=CC[NH+]1CCN(c2nc(CN3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC001165032202 721870553 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C#CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733197196 722493836 /nfs/dbraw/zinc/49/38/36/722493836.db2.gz QFUCPXUKCYJXAT-GDBMZVCRSA-N 1 1 350.256 3.387 20 30 FGEDMO C#Cc1cccc(NC(=S)N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)c1 ZINC000734386641 722506976 /nfs/dbraw/zinc/50/69/76/722506976.db2.gz JVSFFPDOWJWBJV-VQIMIIECSA-N 1 1 359.539 3.091 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1=S ZINC000738148238 722528843 /nfs/dbraw/zinc/52/88/43/722528843.db2.gz JIIJVEITUIVZCO-OAHLLOKOSA-N 1 1 359.495 3.401 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1=S ZINC000738148238 722528844 /nfs/dbraw/zinc/52/88/44/722528844.db2.gz JIIJVEITUIVZCO-OAHLLOKOSA-N 1 1 359.495 3.401 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000738150162 722528923 /nfs/dbraw/zinc/52/89/23/722528923.db2.gz ZOVVZVOSABJEFO-OAHLLOKOSA-N 1 1 359.495 3.357 20 30 FGEDMO CCc1c(Cl)nc(C)nc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000742389179 722556742 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CC[N@@H+](CCc1ccccn1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000764315086 723406328 /nfs/dbraw/zinc/40/63/28/723406328.db2.gz LGCOCVFXHFMDCR-AWEZNQCLSA-N 1 1 356.857 3.498 20 30 FGEDMO CCCCCCC[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000793793181 723468295 /nfs/dbraw/zinc/46/82/95/723468295.db2.gz TYJDEANVYYWCMT-KSZLIROESA-N 1 1 353.551 3.040 20 30 FGEDMO C#C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1F ZINC000796597844 723645673 /nfs/dbraw/zinc/64/56/73/723645673.db2.gz AJQOZEQDQSFQNP-SUMWQHHRSA-N 1 1 351.853 3.327 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000771580555 723738214 /nfs/dbraw/zinc/73/82/14/723738214.db2.gz YDYHGWIMXIWALO-IBGZPJMESA-N 1 1 359.832 3.206 20 30 FGEDMO C#C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000773587258 723803472 /nfs/dbraw/zinc/80/34/72/723803472.db2.gz KZVFRZUAECCNQR-YJBOKZPZSA-N 1 1 353.491 3.168 20 30 FGEDMO C#C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000773587258 723803475 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350.532 3.128 20 30 FGEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1=S ZINC000799154176 723992316 /nfs/dbraw/zinc/99/23/16/723992316.db2.gz CEBRRGFUNWPTQA-XLNGHYISSA-N 1 1 350.532 3.128 20 30 FGEDMO C(=NNCCC[NH+]1CCOCC1)c1ccc(Sc2ccccc2)cc1 ZINC000799486462 724034181 /nfs/dbraw/zinc/03/41/81/724034181.db2.gz BQEOERARINLPNV-UHFFFAOYSA-N 1 1 355.507 3.484 20 30 FGEDMO N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000801598237 724318570 /nfs/dbraw/zinc/31/85/70/724318570.db2.gz XHPDTUGCMWTHPJ-PMACEKPBSA-N 1 1 355.869 3.256 20 30 FGEDMO C[C@H](C#N)OCC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000801941695 724348737 /nfs/dbraw/zinc/34/87/37/724348737.db2.gz SWVWEFCJSMUFRY-GHMZBOCLSA-N 1 1 365.231 3.078 20 30 FGEDMO CCCCCCCCOCC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000785824684 724940462 /nfs/dbraw/zinc/94/04/62/724940462.db2.gz DAJDFYSKJPTCMW-GOSISDBHSA-N 1 1 354.535 3.075 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)c2cc(C)c(Br)c(Cl)c2)CC1 ZINC000786042215 724955411 /nfs/dbraw/zinc/95/54/11/724955411.db2.gz ZLZCLUHTMGSPAG-UHFFFAOYSA-N 1 1 369.690 3.192 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1F ZINC000805778490 725094786 /nfs/dbraw/zinc/09/47/86/725094786.db2.gz CLXXPYKKSHYRLW-DYVFJYSZSA-N 1 1 351.853 3.185 20 30 FGEDMO CC(C)(C)OC(=O)NCCC(N)=[NH+]OCc1ccc(C#N)cc1Cl ZINC000789644025 725140410 /nfs/dbraw/zinc/14/04/10/725140410.db2.gz GMGGHCTWJZVHIF-UHFFFAOYSA-N 1 1 352.822 3.125 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)O[C@@H](C#N)Cc2ccc(F)cc2F)C1 ZINC000810668285 725321701 /nfs/dbraw/zinc/32/17/01/725321701.db2.gz XAYBQUPECBGRDB-KDOFPFPSSA-N 1 1 354.372 3.155 20 30 FGEDMO C#CCN(C)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000812002450 725387007 /nfs/dbraw/zinc/38/70/07/725387007.db2.gz NNMWQZKXVKZNFS-SFHVURJKSA-N 1 1 353.491 3.122 20 30 FGEDMO C#CCN(C)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000812002450 725387008 /nfs/dbraw/zinc/38/70/08/725387008.db2.gz NNMWQZKXVKZNFS-SFHVURJKSA-N 1 1 353.491 3.122 20 30 FGEDMO C=CCOCCOC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000815209900 727052638 /nfs/dbraw/zinc/05/26/38/727052638.db2.gz FJJSIJUBBAGISM-KRWDZBQOSA-N 1 1 357.372 3.187 20 30 FGEDMO Cn1cc(Cl)c(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000817376797 727245549 /nfs/dbraw/zinc/24/55/49/727245549.db2.gz FZNKQPHMFVPXLC-UHFFFAOYSA-N 1 1 363.805 3.133 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)/C=C\c3ccsc3)CC2)cc1 ZINC000871776785 735545278 /nfs/dbraw/zinc/54/52/78/735545278.db2.gz WCWAGKQZIZMYRT-SREVYHEPSA-N 1 1 351.475 3.367 20 30 FGEDMO O=C(C#Cc1cccs1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000825363832 729380427 /nfs/dbraw/zinc/38/04/27/729380427.db2.gz FSKXRDSTNWTVFY-UHFFFAOYSA-N 1 1 360.429 3.159 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000825627880 729389959 /nfs/dbraw/zinc/38/99/59/729389959.db2.gz RLIHVWJLKDACKT-YJBOKZPZSA-N 1 1 353.491 3.168 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000825627880 729389960 /nfs/dbraw/zinc/38/99/60/729389960.db2.gz RLIHVWJLKDACKT-YJBOKZPZSA-N 1 1 353.491 3.168 20 30 FGEDMO O=C(C#Cc1cccs1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827311163 729428566 /nfs/dbraw/zinc/42/85/66/729428566.db2.gz WGQXJIRZDQTRJN-INIZCTEOSA-N 1 1 374.893 3.239 20 30 FGEDMO O=C(C#Cc1cccs1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827311163 729428567 /nfs/dbraw/zinc/42/85/67/729428567.db2.gz WGQXJIRZDQTRJN-INIZCTEOSA-N 1 1 374.893 3.239 20 30 FGEDMO CC(C)C#CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000830297184 729548780 /nfs/dbraw/zinc/54/87/80/729548780.db2.gz BTPJFILKGWQAST-UHFFFAOYSA-N 1 1 363.299 3.189 20 30 FGEDMO Brc1cccc2c(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)ccnc12 ZINC000834965532 729848292 /nfs/dbraw/zinc/84/82/92/729848292.db2.gz CORZMYBTKIOJEK-GASCZTMLSA-N 1 1 372.270 3.191 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(Br)cc1Cl ZINC000836216949 729947963 /nfs/dbraw/zinc/94/79/63/729947963.db2.gz NTFHFTZRWLFAFG-UHFFFAOYSA-N 1 1 358.667 3.179 20 30 FGEDMO Cn1c2ccc(Cl)cc2nc1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365759 730707964 /nfs/dbraw/zinc/70/79/64/730707964.db2.gz IDULXHZGADYVOB-GOSISDBHSA-N 1 1 354.841 3.264 20 30 FGEDMO Cn1c2ccc(Cl)cc2nc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365759 730707967 /nfs/dbraw/zinc/70/79/67/730707967.db2.gz IDULXHZGADYVOB-GOSISDBHSA-N 1 1 354.841 3.264 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844435425 730717062 /nfs/dbraw/zinc/71/70/62/730717062.db2.gz DDQKUBVGMMGKHH-CQDXFGNVSA-N 1 1 353.457 3.427 20 30 FGEDMO C=C[C@H](C)ONC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000845626578 730872471 /nfs/dbraw/zinc/87/24/71/730872471.db2.gz HVZKBKWPIZYJBR-GHJWDPDVSA-N 1 1 355.841 3.277 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cnc(Cl)c(F)c3)CC2)cc1 ZINC000846758426 730977222 /nfs/dbraw/zinc/97/72/22/730977222.db2.gz CASZQLZAHUBQTE-UHFFFAOYSA-N 1 1 358.848 3.454 20 30 FGEDMO N#CC[C@@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000853524123 731717491 /nfs/dbraw/zinc/71/74/91/731717491.db2.gz KRZGUVWYAKMZQF-ZDUSSCGKSA-N 1 1 360.255 3.347 20 30 FGEDMO C#CCNC(=O)CC[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000860068705 732445256 /nfs/dbraw/zinc/44/52/56/732445256.db2.gz SEYLDARJRXYVIY-UHFFFAOYSA-N 1 1 351.475 3.371 20 30 FGEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cn1cccc(C#N)c1=O ZINC000863323153 732945007 /nfs/dbraw/zinc/94/50/07/732945007.db2.gz DZJFNEXLNWSWHC-CJNGLKHVSA-N 1 1 372.266 3.318 20 30 FGEDMO C=C(Cl)C[C@@H]1NC(=O)N([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC000865306179 733178102 /nfs/dbraw/zinc/17/81/02/733178102.db2.gz CCDFMHLQEISSPU-LRDDRELGSA-N 1 1 358.829 3.305 20 30 FGEDMO C[N@@H+]1CC[C@H](CNC(=O)c2coc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000867088573 733437606 /nfs/dbraw/zinc/43/76/06/733437606.db2.gz SDWFGGOMLRTTGT-PXAZEXFGSA-N 1 1 361.804 3.367 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)c2coc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000867088573 733437608 /nfs/dbraw/zinc/43/76/08/733437608.db2.gz SDWFGGOMLRTTGT-PXAZEXFGSA-N 1 1 361.804 3.367 20 30 FGEDMO N#Cc1cnc(Cl)c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000877490096 736671236 /nfs/dbraw/zinc/67/12/36/736671236.db2.gz URYBRZUJIDPYHQ-KDURUIRLSA-N 1 1 352.869 3.170 20 30 FGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1cc(Br)no1 ZINC000877987215 736753035 /nfs/dbraw/zinc/75/30/35/736753035.db2.gz BGYZKTWOPZJJTR-CYBMUJFWSA-N 1 1 355.207 3.298 20 30 FGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1cc(Br)no1 ZINC000877987215 736753037 /nfs/dbraw/zinc/75/30/37/736753037.db2.gz BGYZKTWOPZJJTR-CYBMUJFWSA-N 1 1 355.207 3.298 20 30 FGEDMO CC(=O)[C@](C#N)(CC[NH+]1CCN(c2cccs2)CC1)c1ccccc1 ZINC000878187215 736786008 /nfs/dbraw/zinc/78/60/08/736786008.db2.gz TXAJBZZBVJJXLB-HXUWFJFHSA-N 1 1 353.491 3.311 20 30 FGEDMO CC1CC[NH+](Cc2cn(Cc3cc(Cl)ccc3OCC#N)nn2)CC1 ZINC000883995166 737624180 /nfs/dbraw/zinc/62/41/80/737624180.db2.gz AWNQYKBVVJCMOP-UHFFFAOYSA-N 1 1 359.861 3.114 20 30 FGEDMO C=CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 ZINC000886761725 739293698 /nfs/dbraw/zinc/29/36/98/739293698.db2.gz JXCANLNPIDYRPL-ZDUSSCGKSA-N 1 1 367.287 3.179 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1)c1cccc(Cl)c1 ZINC000886834607 739309205 /nfs/dbraw/zinc/30/92/05/739309205.db2.gz AXJYTENFZFUJGL-YJBOKZPZSA-N 1 1 361.873 3.088 20 30 FGEDMO N#Cc1ccc(F)c(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000888355410 739507943 /nfs/dbraw/zinc/50/79/43/739507943.db2.gz QJSOKURSAPRACV-UHFFFAOYSA-N 1 1 358.442 3.151 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C#N)cn2)[C@H]1c1cccs1 ZINC000889226276 739643951 /nfs/dbraw/zinc/64/39/51/739643951.db2.gz ABALGZSQMFMJBY-PBHICJAKSA-N 1 1 355.467 3.219 20 30 FGEDMO COCC[N@H+](CCC#N)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894004166 742225637 /nfs/dbraw/zinc/22/56/37/742225637.db2.gz ZPBOMUYTOKSHKL-ALOPSCKCSA-N 1 1 351.491 3.027 20 30 FGEDMO COCC[N@@H+](CCC#N)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894004166 742225640 /nfs/dbraw/zinc/22/56/40/742225640.db2.gz ZPBOMUYTOKSHKL-ALOPSCKCSA-N 1 1 351.491 3.027 20 30 FGEDMO C[C@H](NC(=O)N(C)Cc1cc(C#N)cs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894106984 742239544 /nfs/dbraw/zinc/23/95/44/742239544.db2.gz VGPZPZHWAYRLBI-HOCLYGCPSA-N 1 1 360.527 3.414 20 30 FGEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ncc(Br)cc1Cl ZINC000901208901 743237820 /nfs/dbraw/zinc/23/78/20/743237820.db2.gz ZWOVWBREFMQAGM-VXGBXAGGSA-N 1 1 370.682 3.082 20 30 FGEDMO C=C(Cl)C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000901939743 743682787 /nfs/dbraw/zinc/68/27/87/743682787.db2.gz WBXXAWPIEUJBKJ-KRWDZBQOSA-N 1 1 354.853 3.018 20 30 FGEDMO C[C@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)c1cc(C#N)ccn1 ZINC000902976636 743795165 /nfs/dbraw/zinc/79/51/65/743795165.db2.gz SVKSNZBVVAZIJA-JQRITLKVSA-N 1 1 352.404 3.409 20 30 FGEDMO C[C@](O)(C[NH2+]Cc1nc(C(F)(F)F)cs1)C(F)(F)C(F)(F)F ZINC000905134629 743995581 /nfs/dbraw/zinc/99/55/81/743995581.db2.gz NUCKKSRIANJHSG-ZETCQYMHSA-N 1 1 358.254 3.200 20 30 FGEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC[C@@H]2C1 ZINC000946813167 762261480 /nfs/dbraw/zinc/26/14/80/762261480.db2.gz LKYKKNDAXLSYGZ-KVPLUYHFSA-N 1 1 356.897 3.247 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC000948790007 762348336 /nfs/dbraw/zinc/34/83/36/762348336.db2.gz YNRPDUCEXHVNBQ-UHOSZYNNSA-N 1 1 362.539 3.195 20 30 FGEDMO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NN1CC[NH+](C)CC1 ZINC000916249147 758056844 /nfs/dbraw/zinc/05/68/44/758056844.db2.gz QSYRGQMEBGVPHX-UHFFFAOYSA-N 1 1 366.296 3.128 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1NC(=S)N[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000916277578 758060896 /nfs/dbraw/zinc/06/08/96/758060896.db2.gz MDTUUYKKKPPETL-QAPCUYQASA-N 1 1 357.527 3.413 20 30 FGEDMO C=C(C)CNC(=S)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000921268407 758678376 /nfs/dbraw/zinc/67/83/76/758678376.db2.gz JZRCSKYMAQPJTB-UHFFFAOYSA-N 1 1 360.527 3.282 20 30 FGEDMO CN1CCO[C@H]([C@@H]([NH2+]Cc2csc(C#N)c2)c2ccc(Cl)cc2)C1 ZINC000921953906 758827605 /nfs/dbraw/zinc/82/76/05/758827605.db2.gz ZBJAOQLVYLBPFS-ROUUACIJSA-N 1 1 361.898 3.435 20 30 FGEDMO C=CCCC[C@@H]1NC(=O)N(C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1=O ZINC000924699500 759373306 /nfs/dbraw/zinc/37/33/06/759373306.db2.gz FDEGIVDIZKVJNL-HLLBOEOZSA-N 1 1 361.511 3.408 20 30 FGEDMO Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000932133564 761062821 /nfs/dbraw/zinc/06/28/21/761062821.db2.gz SHBXYMANFYHXOX-OAHLLOKOSA-N 1 1 359.271 3.434 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c1C#N ZINC000932201001 761084102 /nfs/dbraw/zinc/08/41/02/761084102.db2.gz RGXBTWBNSVDPKE-AWEZNQCLSA-N 1 1 355.463 3.256 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1C#N ZINC000932201001 761084114 /nfs/dbraw/zinc/08/41/14/761084114.db2.gz RGXBTWBNSVDPKE-AWEZNQCLSA-N 1 1 355.463 3.256 20 30 FGEDMO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2c2cncc(Br)c2)CCC1 ZINC000932254662 761109226 /nfs/dbraw/zinc/10/92/26/761109226.db2.gz WGDGGEVGKGQXNE-HOTGVXAUSA-N 1 1 364.287 3.426 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2cncc(Br)c2)CCC1 ZINC000932254662 761109231 /nfs/dbraw/zinc/10/92/31/761109231.db2.gz WGDGGEVGKGQXNE-HOTGVXAUSA-N 1 1 364.287 3.426 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932817354 761252630 /nfs/dbraw/zinc/25/26/30/761252630.db2.gz LTVKXMFUPHHYSL-ZDUSSCGKSA-N 1 1 361.873 3.166 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000932903999 761268717 /nfs/dbraw/zinc/26/87/17/761268717.db2.gz LTBHKNSBOMGIHO-MELADBBJSA-N 1 1 374.794 3.229 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000932903999 761268721 /nfs/dbraw/zinc/26/87/21/761268721.db2.gz LTBHKNSBOMGIHO-MELADBBJSA-N 1 1 374.794 3.229 20 30 FGEDMO Cn1cc(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cn1 ZINC000932940851 761279643 /nfs/dbraw/zinc/27/96/43/761279643.db2.gz IKKAUYYOQQWBIL-IUCAKERBSA-N 1 1 363.252 3.023 20 30 FGEDMO C[N@H+]1CCC[C@@H]1CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945300 761282639 /nfs/dbraw/zinc/28/26/39/761282639.db2.gz VFDPUUFGQVPUFQ-OPRDCNLKSA-N 1 1 366.296 3.183 20 30 FGEDMO Cc1noc(C[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3OCC#N)C2)n1 ZINC000933574286 761431368 /nfs/dbraw/zinc/43/13/68/761431368.db2.gz IYFXUDQGASOQSU-CQSZACIVSA-N 1 1 360.845 3.389 20 30 FGEDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)n1 ZINC000933574286 761431371 /nfs/dbraw/zinc/43/13/71/761431371.db2.gz IYFXUDQGASOQSU-CQSZACIVSA-N 1 1 360.845 3.389 20 30 FGEDMO O=C1C=COC2(CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000933644906 761444919 /nfs/dbraw/zinc/44/49/19/761444919.db2.gz XPJDIPOBLXCPTD-MRXNPFEDSA-N 1 1 356.249 3.365 20 30 FGEDMO C[C@H](NC(=O)[C@]12C[C@H]1CCC2)C1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000970187283 762870082 /nfs/dbraw/zinc/87/00/82/762870082.db2.gz LCTSMOSIFCZTOX-RRMPHLOHSA-N 1 1 356.897 3.318 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(F)c2Cl)C1 ZINC000972371623 762959016 /nfs/dbraw/zinc/95/90/16/762959016.db2.gz AOAZLJUIAXXKPD-UXLLHSPISA-N 1 1 366.864 3.103 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C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000067372508 494524966 /nfs/dbraw/zinc/52/49/66/494524966.db2.gz JYORCHALUZNFIE-QGZVFWFLSA-N 1 1 366.431 3.183 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046526653 494535157 /nfs/dbraw/zinc/53/51/57/494535157.db2.gz CECCZMJFXYCAHL-AWEZNQCLSA-N 1 1 353.422 3.034 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046526653 494535162 /nfs/dbraw/zinc/53/51/62/494535162.db2.gz CECCZMJFXYCAHL-AWEZNQCLSA-N 1 1 353.422 3.034 20 30 FGEDMO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529833 494536067 /nfs/dbraw/zinc/53/60/67/494536067.db2.gz KPAFKAPZERKCSO-CVEARBPZSA-N 1 1 351.450 3.265 20 30 FGEDMO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529833 494536073 /nfs/dbraw/zinc/53/60/73/494536073.db2.gz KPAFKAPZERKCSO-CVEARBPZSA-N 1 1 351.450 3.265 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583770 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ACFDCGURPUZOEZ-YJBOKZPZSA-N 1 1 351.454 3.193 20 30 FGEDMO CN(C)c1nc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cs1 ZINC000080244860 494649002 /nfs/dbraw/zinc/64/90/02/494649002.db2.gz CKWGWYRHYGSLPJ-UHFFFAOYSA-N 1 1 366.494 3.276 20 30 FGEDMO COC(=O)c1ccc(N2CC[N@H+](Cc3cc(C#N)cs3)[C@@H](C)C2)cc1 ZINC000092659867 494701523 /nfs/dbraw/zinc/70/15/23/494701523.db2.gz IHYKYNOZFAREJB-AWEZNQCLSA-N 1 1 355.463 3.117 20 30 FGEDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3cc(C#N)cs3)[C@@H](C)C2)cc1 ZINC000092659867 494701530 /nfs/dbraw/zinc/70/15/30/494701530.db2.gz IHYKYNOZFAREJB-AWEZNQCLSA-N 1 1 355.463 3.117 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025308633 494720821 /nfs/dbraw/zinc/72/08/21/494720821.db2.gz KESSXGWXMAZEKE-PZJWPPBQSA-N 1 1 354.425 3.469 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000025368886 494729073 /nfs/dbraw/zinc/72/90/73/494729073.db2.gz HUSCNTXRHQUNQQ-GOSISDBHSA-N 1 1 355.434 3.016 20 30 FGEDMO 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CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000574552236 505799702 /nfs/dbraw/zinc/79/97/02/505799702.db2.gz QXDSLCKTSVTPKU-BDJLRTHQSA-N 1 1 370.266 3.293 20 30 FGEDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000154817825 495736638 /nfs/dbraw/zinc/73/66/38/495736638.db2.gz FGIPQAFOSJOCTC-NADMHLTPSA-N 1 1 353.466 3.077 20 30 FGEDMO CC[N@@H+](CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(C)C ZINC000151126127 495746185 /nfs/dbraw/zinc/74/61/85/495746185.db2.gz QAOBWSUYYPEMMY-UHFFFAOYSA-N 1 1 350.466 3.333 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000568913075 505806769 /nfs/dbraw/zinc/80/67/69/505806769.db2.gz ZFBUUSVMDCIPBI-WSTZPKSXSA-N 1 1 354.450 3.208 20 30 FGEDMO COc1cccc([C@H]2[C@H](NC(=O)c3sccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000183238961 495892738 /nfs/dbraw/zinc/89/27/38/495892738.db2.gz PWDIJWHAKNNCQX-MSOLQXFVSA-N 1 1 367.474 3.336 20 30 FGEDMO COc1cccc([C@H]2[C@H](NC(=O)c3sccc3C#N)CC[N@H+]2C2CC2)c1 ZINC000183238961 495892742 /nfs/dbraw/zinc/89/27/42/495892742.db2.gz PWDIJWHAKNNCQX-MSOLQXFVSA-N 1 1 367.474 3.336 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCOCC3(CCOCC3)C2)ccc1OC ZINC000183269689 495909496 /nfs/dbraw/zinc/90/94/96/495909496.db2.gz DRAJMLKWAOMGSW-UHFFFAOYSA-N 1 1 361.482 3.279 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccccc2-c2ccccc2)CC1 ZINC000171537315 495918663 /nfs/dbraw/zinc/91/86/63/495918663.db2.gz LDWZGLBKKYTZHX-UHFFFAOYSA-N 1 1 356.491 3.282 20 30 FGEDMO COCCOc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000155408796 495948950 /nfs/dbraw/zinc/94/89/50/495948950.db2.gz GCUVDRPNPCRASN-UHFFFAOYSA-N 1 1 358.413 3.363 20 30 FGEDMO COCCOc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1OC ZINC000155408796 495948952 /nfs/dbraw/zinc/94/89/52/495948952.db2.gz GCUVDRPNPCRASN-UHFFFAOYSA-N 1 1 358.413 3.363 20 30 FGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000177209887 495978074 /nfs/dbraw/zinc/97/80/74/495978074.db2.gz LLHFGIFFBCIPGT-RDTXWAMCSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000177209887 495978079 /nfs/dbraw/zinc/97/80/79/495978079.db2.gz LLHFGIFFBCIPGT-RDTXWAMCSA-N 1 1 355.463 3.410 20 30 FGEDMO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C#N)c1C ZINC000180441116 495997698 /nfs/dbraw/zinc/99/76/98/495997698.db2.gz WYGQAMSTZAUFSC-NSHDSACASA-N 1 1 358.423 3.434 20 30 FGEDMO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)CC1 ZINC000171741862 496016563 /nfs/dbraw/zinc/01/65/63/496016563.db2.gz KXTMHQURQXCFFA-IBGZPJMESA-N 1 1 367.497 3.368 20 30 FGEDMO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000574627392 505818862 /nfs/dbraw/zinc/81/88/62/505818862.db2.gz HFUJWTHERKKOED-KBPBESRZSA-N 1 1 354.376 3.027 20 30 FGEDMO CCCC[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160766390 496038163 /nfs/dbraw/zinc/03/81/63/496038163.db2.gz OUXYTPAVNVDMGG-GOSISDBHSA-N 1 1 364.511 3.158 20 30 FGEDMO CCCC[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160766390 496038169 /nfs/dbraw/zinc/03/81/69/496038169.db2.gz OUXYTPAVNVDMGG-GOSISDBHSA-N 1 1 364.511 3.158 20 30 FGEDMO N#CCCCOc1cccc(C[NH+]2CCN(Cc3cccnc3)CC2)c1 ZINC000183668627 496070403 /nfs/dbraw/zinc/07/04/03/496070403.db2.gz FVOFREOXBZORPX-UHFFFAOYSA-N 1 1 350.466 3.082 20 30 FGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000160960423 496075521 /nfs/dbraw/zinc/07/55/21/496075521.db2.gz FZIKISDOUOJJEK-INIZCTEOSA-N 1 1 351.425 3.339 20 30 FGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000160960423 496075525 /nfs/dbraw/zinc/07/55/25/496075525.db2.gz FZIKISDOUOJJEK-INIZCTEOSA-N 1 1 351.425 3.339 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C ZINC000174794079 496109531 /nfs/dbraw/zinc/10/95/31/496109531.db2.gz UXWCYISJGIFFEI-DLBZAZTESA-N 1 1 356.470 3.436 20 30 FGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000156042845 496141763 /nfs/dbraw/zinc/14/17/63/496141763.db2.gz JMHBBSBLDIOKID-GOEBONIOSA-N 1 1 353.401 3.499 20 30 FGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000156042845 496141768 /nfs/dbraw/zinc/14/17/68/496141768.db2.gz JMHBBSBLDIOKID-GOEBONIOSA-N 1 1 353.401 3.499 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2c1 ZINC000180798256 496151943 /nfs/dbraw/zinc/15/19/43/496151943.db2.gz LTDYNCOGAQCMEO-AWEZNQCLSA-N 1 1 374.370 3.258 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](n4ccc(C(F)(F)F)n4)C3)n2c1 ZINC000180798256 496151947 /nfs/dbraw/zinc/15/19/47/496151947.db2.gz LTDYNCOGAQCMEO-AWEZNQCLSA-N 1 1 374.370 3.258 20 30 FGEDMO C[C@](C#N)(NC(=O)C[N@@H+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000152549029 496184838 /nfs/dbraw/zinc/18/48/38/496184838.db2.gz RDQCGBXFPJISOT-OAQYLSRUSA-N 1 1 357.473 3.421 20 30 FGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000184085004 496230706 /nfs/dbraw/zinc/23/07/06/496230706.db2.gz KXUYWSKQJGESSB-NSHDSACASA-N 1 1 374.222 3.090 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1nc(C#N)cs1 ZINC000577977117 505831692 /nfs/dbraw/zinc/83/16/92/505831692.db2.gz LKCGRJUYUZDOLW-DNVCBOLYSA-N 1 1 369.538 3.451 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1nc(C#N)cs1 ZINC000577977117 505831695 /nfs/dbraw/zinc/83/16/95/505831695.db2.gz LKCGRJUYUZDOLW-DNVCBOLYSA-N 1 1 369.538 3.451 20 30 FGEDMO N#Cc1ccc(C2(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000187012111 496251236 /nfs/dbraw/zinc/25/12/36/496251236.db2.gz SKYRIINPEXVBAD-NRFANRHFSA-N 1 1 359.473 3.371 20 30 FGEDMO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000156512906 496265767 /nfs/dbraw/zinc/26/57/67/496265767.db2.gz FFHVSSPYJHHQQJ-AWEZNQCLSA-N 1 1 356.397 3.270 20 30 FGEDMO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000156512906 496265772 /nfs/dbraw/zinc/26/57/72/496265772.db2.gz FFHVSSPYJHHQQJ-AWEZNQCLSA-N 1 1 356.397 3.270 20 30 FGEDMO C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000175158896 496270782 /nfs/dbraw/zinc/27/07/82/496270782.db2.gz KXEBCKJAOXYTEP-SFHVURJKSA-N 1 1 362.477 3.364 20 30 FGEDMO Cc1cccc(N2CCC(NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)[nH+]1 ZINC000187076234 496282087 /nfs/dbraw/zinc/28/20/87/496282087.db2.gz KWJHPERHMJPBKR-UHFFFAOYSA-N 1 1 360.461 3.079 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1C ZINC000152974207 496313521 /nfs/dbraw/zinc/31/35/21/496313521.db2.gz KTKAZQJHJBVZTN-UYAOXDASSA-N 1 1 355.482 3.051 20 30 FGEDMO N#Cc1cccc(NC(=O)CCN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000172544550 496335777 /nfs/dbraw/zinc/33/57/77/496335777.db2.gz IIHUVJHXXHQOBU-HXUWFJFHSA-N 1 1 368.525 3.475 20 30 FGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000153085356 496347237 /nfs/dbraw/zinc/34/72/37/496347237.db2.gz DEKQKZKHEXNEHU-GOSISDBHSA-N 1 1 358.482 3.163 20 30 FGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000153085356 496347243 /nfs/dbraw/zinc/34/72/43/496347243.db2.gz DEKQKZKHEXNEHU-GOSISDBHSA-N 1 1 358.482 3.163 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000175388917 496369644 /nfs/dbraw/zinc/36/96/44/496369644.db2.gz UDNRCNXHHFGKQS-OAHLLOKOSA-N 1 1 351.475 3.391 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000162590386 496379052 /nfs/dbraw/zinc/37/90/52/496379052.db2.gz DHVRHLPOAFMIDH-UHFFFAOYSA-N 1 1 350.894 3.181 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C#N)c1 ZINC000175442106 496393651 /nfs/dbraw/zinc/39/36/51/496393651.db2.gz SIYLCTPDXXAIBY-OAQYLSRUSA-N 1 1 362.477 3.222 20 30 FGEDMO CC(C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1Br ZINC000181513612 496427270 /nfs/dbraw/zinc/42/72/70/496427270.db2.gz ZMKJEODQIRDFBO-QGZVFWFLSA-N 1 1 364.287 3.082 20 30 FGEDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cn3)C2)cc(OC)c1 ZINC000578022880 505843556 /nfs/dbraw/zinc/84/35/56/505843556.db2.gz GTYGKEKCUXOTNV-QGZVFWFLSA-N 1 1 352.438 3.047 20 30 FGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(C3CCOCC3)CC2)cc1Cl ZINC000153509187 496479148 /nfs/dbraw/zinc/47/91/48/496479148.db2.gz CCWGGAZAXJPRRG-UHFFFAOYSA-N 1 1 361.873 3.289 20 30 FGEDMO C=CCc1ccc(OCC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c(OC)c1 ZINC000163253064 496488204 /nfs/dbraw/zinc/48/82/04/496488204.db2.gz HKFOVRKICRCYKB-LJQANCHMSA-N 1 1 374.525 3.287 20 30 FGEDMO Cc1cnc(CC[N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000157576124 496506470 /nfs/dbraw/zinc/50/64/70/496506470.db2.gz SMCCQGJTAFAQSZ-UHFFFAOYSA-N 1 1 370.522 3.490 20 30 FGEDMO Cc1cnc(CC[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)s1 ZINC000157576124 496506472 /nfs/dbraw/zinc/50/64/72/496506472.db2.gz SMCCQGJTAFAQSZ-UHFFFAOYSA-N 1 1 370.522 3.490 20 30 FGEDMO C=CCc1cc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc(OC)c1O ZINC000187659171 496523765 /nfs/dbraw/zinc/52/37/65/496523765.db2.gz OSUYCKTWGWHJRD-UHFFFAOYSA-N 1 1 357.372 3.473 20 30 FGEDMO C=CCn1c(COc2ccccc2F)nnc1SC[C@@H]1CC[N@H+](C)C1 ZINC000187662194 496525384 /nfs/dbraw/zinc/52/53/84/496525384.db2.gz AEFACHOIEDJJHE-CQSZACIVSA-N 1 1 362.474 3.226 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153762553 496571169 /nfs/dbraw/zinc/57/11/69/496571169.db2.gz YTIKUGQJAQGHRF-OAQYLSRUSA-N 1 1 370.497 3.143 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)c1C#N ZINC000153762553 496571171 /nfs/dbraw/zinc/57/11/71/496571171.db2.gz YTIKUGQJAQGHRF-OAQYLSRUSA-N 1 1 370.497 3.143 20 30 FGEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187785734 496571226 /nfs/dbraw/zinc/57/12/26/496571226.db2.gz QLUPRNYEGNVCAB-HXUWFJFHSA-N 1 1 360.404 3.497 20 30 FGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000164347626 496606162 /nfs/dbraw/zinc/60/61/62/496606162.db2.gz RVOFIZILPJGSMP-GOSISDBHSA-N 1 1 355.482 3.096 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CNc2cccc(C#N)c2)cc1 ZINC000164387495 496609223 /nfs/dbraw/zinc/60/92/23/496609223.db2.gz WRAUJOZWDRIVQW-OAHLLOKOSA-N 1 1 359.433 3.342 20 30 FGEDMO COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccco1 ZINC000164703564 496628743 /nfs/dbraw/zinc/62/87/43/496628743.db2.gz WSOWFPWAFZKCBA-UHFFFAOYSA-N 1 1 373.478 3.179 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000158126290 496632622 /nfs/dbraw/zinc/63/26/22/496632622.db2.gz PIGBIROVPGOGPW-HXUWFJFHSA-N 1 1 366.461 3.318 20 30 FGEDMO C[C@@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1 ZINC000182028813 496641102 /nfs/dbraw/zinc/64/11/02/496641102.db2.gz GPSRSQCJEWNLDV-HBGVWJBISA-N 1 1 357.498 3.007 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)c1 ZINC000188030574 496656683 /nfs/dbraw/zinc/65/66/83/496656683.db2.gz IIZGRRDNLXNOQD-HRAATJIYSA-N 1 1 357.498 3.033 20 30 FGEDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCOc3ccc(C#N)cc3)n2)c1 ZINC000185120427 496669663 /nfs/dbraw/zinc/66/96/63/496669663.db2.gz WWNCIPSBSSMEML-AWEZNQCLSA-N 1 1 364.405 3.346 20 30 FGEDMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+]1C ZINC000176070409 496670192 /nfs/dbraw/zinc/67/01/92/496670192.db2.gz BIFBHTNZMYDCJK-YPMHNXCESA-N 1 1 352.385 3.106 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+](CCO)[C@@H]3CCCc4ccccc43)o2)cc1 ZINC000173388561 496671156 /nfs/dbraw/zinc/67/11/56/496671156.db2.gz JRBGPVGGDQOUBX-HXUWFJFHSA-N 1 1 374.444 3.480 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+](CCO)[C@@H]3CCCc4ccccc43)o2)cc1 ZINC000173388561 496671163 /nfs/dbraw/zinc/67/11/63/496671163.db2.gz JRBGPVGGDQOUBX-HXUWFJFHSA-N 1 1 374.444 3.480 20 30 FGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000158329080 496677236 /nfs/dbraw/zinc/67/72/36/496677236.db2.gz LLZUXPXIOYPFKW-MRXNPFEDSA-N 1 1 353.445 3.395 20 30 FGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000158329080 496677241 /nfs/dbraw/zinc/67/72/41/496677241.db2.gz LLZUXPXIOYPFKW-MRXNPFEDSA-N 1 1 353.445 3.395 20 30 FGEDMO C#CCOc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000188099515 496683918 /nfs/dbraw/zinc/68/39/18/496683918.db2.gz VYLBYZQJGUCNMS-APWZRJJASA-N 1 1 353.466 3.179 20 30 FGEDMO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185320644 496728627 /nfs/dbraw/zinc/72/86/27/496728627.db2.gz CWJGKSIGPKWXNU-AWEZNQCLSA-N 1 1 363.527 3.166 20 30 FGEDMO CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000185320644 496728629 /nfs/dbraw/zinc/72/86/29/496728629.db2.gz CWJGKSIGPKWXNU-AWEZNQCLSA-N 1 1 363.527 3.166 20 30 FGEDMO Cc1cnc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)s1 ZINC000277363877 496749673 /nfs/dbraw/zinc/74/96/73/496749673.db2.gz GSCOXIVWZPAITQ-GOSISDBHSA-N 1 1 366.490 3.308 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000247013184 496750835 /nfs/dbraw/zinc/75/08/35/496750835.db2.gz XOCKMUDOPPVODJ-RHSMWYFYSA-N 1 1 363.527 3.358 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000247013198 496751329 /nfs/dbraw/zinc/75/13/29/496751329.db2.gz XOCKMUDOPPVODJ-WMLDXEAASA-N 1 1 363.527 3.358 20 30 FGEDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000247027244 496756976 /nfs/dbraw/zinc/75/69/76/496756976.db2.gz DQEHMVIDGOLFLR-INMHGKMJSA-N 1 1 361.511 3.255 20 30 FGEDMO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000247027244 496756980 /nfs/dbraw/zinc/75/69/80/496756980.db2.gz DQEHMVIDGOLFLR-INMHGKMJSA-N 1 1 361.511 3.255 20 30 FGEDMO COC[C@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000188340715 496757447 /nfs/dbraw/zinc/75/74/47/496757447.db2.gz QLYQDRJXRSDGTQ-HTAPYJJXSA-N 1 1 366.461 3.373 20 30 FGEDMO COC[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000188340715 496757449 /nfs/dbraw/zinc/75/74/49/496757449.db2.gz QLYQDRJXRSDGTQ-HTAPYJJXSA-N 1 1 366.461 3.373 20 30 FGEDMO Cc1cccc(OCCNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194964509 496775669 /nfs/dbraw/zinc/77/56/69/496775669.db2.gz UFQPIOBNVBAYNN-UHFFFAOYSA-N 1 1 363.461 3.026 20 30 FGEDMO Cc1cccc(OCCNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194964509 496775675 /nfs/dbraw/zinc/77/56/75/496775675.db2.gz UFQPIOBNVBAYNN-UHFFFAOYSA-N 1 1 363.461 3.026 20 30 FGEDMO CC(C)[N@H+]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000263994861 496782853 /nfs/dbraw/zinc/78/28/53/496782853.db2.gz WYFHFJSGWAIYLC-UHFFFAOYSA-N 1 1 352.385 3.108 20 30 FGEDMO CCCCCCCS(=O)(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000195430441 496921367 /nfs/dbraw/zinc/92/13/67/496921367.db2.gz IMKQULRHIBJYQF-QGZVFWFLSA-N 1 1 367.559 3.497 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000195670769 496959634 /nfs/dbraw/zinc/95/96/34/496959634.db2.gz DAOQWUUYVDHBMT-JKSUJKDBSA-N 1 1 354.454 3.015 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[NH+]1CCSCC1 ZINC000264857848 496998014 /nfs/dbraw/zinc/99/80/14/496998014.db2.gz MYRHURSQOYRZQD-CQSZACIVSA-N 1 1 364.540 3.109 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000248453655 497016838 /nfs/dbraw/zinc/01/68/38/497016838.db2.gz ZEBVMLYANPFHEV-HZPDHXFCSA-N 1 1 364.371 3.144 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264961231 497020464 /nfs/dbraw/zinc/02/04/64/497020464.db2.gz NNIYRMAVOSFKKQ-UHFFFAOYSA-N 1 1 351.425 3.434 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC000274141479 497026432 /nfs/dbraw/zinc/02/64/32/497026432.db2.gz GYSIZNACJONISC-NRFANRHFSA-N 1 1 371.481 3.422 20 30 FGEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(F)c(F)c1 ZINC000248549370 497035349 /nfs/dbraw/zinc/03/53/49/497035349.db2.gz HIBRDEJMEIDNTL-HBFSDRIKSA-N 1 1 364.436 3.342 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000227265298 497087860 /nfs/dbraw/zinc/08/78/60/497087860.db2.gz XWGIZYZUEWTWLJ-UWVAXJGDSA-N 1 1 357.498 3.198 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(C#N)cc1F ZINC000248725690 497089226 /nfs/dbraw/zinc/08/92/26/497089226.db2.gz CUGMYPOWZCKDOB-MGPUTAFESA-N 1 1 366.440 3.017 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000189420763 497113740 /nfs/dbraw/zinc/11/37/40/497113740.db2.gz XPGDVLZZBCFRBX-JAXLGGSGSA-N 1 1 374.525 3.011 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000189420763 497113744 /nfs/dbraw/zinc/11/37/44/497113744.db2.gz XPGDVLZZBCFRBX-JAXLGGSGSA-N 1 1 374.525 3.011 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)c1C#N ZINC000248888840 497127429 /nfs/dbraw/zinc/12/74/29/497127429.db2.gz FJMBRDOJHBGQQF-IFXJQAMLSA-N 1 1 372.513 3.123 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)c1C#N ZINC000248888840 497127431 /nfs/dbraw/zinc/12/74/31/497127431.db2.gz FJMBRDOJHBGQQF-IFXJQAMLSA-N 1 1 372.513 3.123 20 30 FGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278525567 497142507 /nfs/dbraw/zinc/14/25/07/497142507.db2.gz DGEKVDJJWGSXIT-HXUWFJFHSA-N 1 1 365.433 3.019 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(Cl)cc1 ZINC000249000648 497149578 /nfs/dbraw/zinc/14/95/78/497149578.db2.gz HKLVONJSFRMBGH-DOTOQJQBSA-N 1 1 372.860 3.017 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1ccc(Cl)cc1 ZINC000249000648 497149579 /nfs/dbraw/zinc/14/95/79/497149579.db2.gz HKLVONJSFRMBGH-DOTOQJQBSA-N 1 1 372.860 3.017 20 30 FGEDMO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000569242341 505887926 /nfs/dbraw/zinc/88/79/26/505887926.db2.gz SJCGZZIIHFBVEQ-FOIQADDNSA-N 1 1 351.425 3.491 20 30 FGEDMO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000569242341 505887928 /nfs/dbraw/zinc/88/79/28/505887928.db2.gz SJCGZZIIHFBVEQ-FOIQADDNSA-N 1 1 351.425 3.491 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1OC ZINC000249055207 497156005 /nfs/dbraw/zinc/15/60/05/497156005.db2.gz GTWNDZCUHCBGBX-DOMZBBRYSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1OC ZINC000249055207 497156010 /nfs/dbraw/zinc/15/60/10/497156010.db2.gz GTWNDZCUHCBGBX-DOMZBBRYSA-N 1 1 370.287 3.225 20 30 FGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192625486 497166617 /nfs/dbraw/zinc/16/66/17/497166617.db2.gz SIOBZURXXCVLNY-HRAATJIYSA-N 1 1 363.461 3.322 20 30 FGEDMO N#Cc1cc([N+](=O)[O-])ccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278622068 497170262 /nfs/dbraw/zinc/17/02/62/497170262.db2.gz GNXUNZNEYGDEHW-UHFFFAOYSA-N 1 1 351.410 3.383 20 30 FGEDMO C=C[C@@](C)(O)CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000278671432 497185074 /nfs/dbraw/zinc/18/50/74/497185074.db2.gz PVDJPIFRQKSTQP-GOSISDBHSA-N 1 1 370.415 3.067 20 30 FGEDMO COC[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000265831703 497189865 /nfs/dbraw/zinc/18/98/65/497189865.db2.gz ULQQCIQZCYDEIC-KGLIPLIRSA-N 1 1 361.511 3.041 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCc3occc3C2)c(OC)c1 ZINC000569269385 505893010 /nfs/dbraw/zinc/89/30/10/505893010.db2.gz UARZGINCHPDRDT-GOSISDBHSA-N 1 1 357.450 3.205 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249688050 497232406 /nfs/dbraw/zinc/23/24/06/497232406.db2.gz SNGMWQFHBGVJCI-JKSUJKDBSA-N 1 1 358.511 3.254 20 30 FGEDMO CCC[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000249974976 497259578 /nfs/dbraw/zinc/25/95/78/497259578.db2.gz LHOWTQVWGMHHGJ-APWZRJJASA-N 1 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ZINC000331103535 498254182 /nfs/dbraw/zinc/25/41/82/498254182.db2.gz FAEFJYLMOHXSGO-UKRRQHHQSA-N 1 1 365.474 3.063 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(C)=O)ccc2OC)C[C@@H]1C ZINC000331143842 498260405 /nfs/dbraw/zinc/26/04/05/498260405.db2.gz RVULBHSTTGAGJB-BBRMVZONSA-N 1 1 362.474 3.004 20 30 FGEDMO Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C2)c1 ZINC000331153330 498262834 /nfs/dbraw/zinc/26/28/34/498262834.db2.gz OQWIRVCYVNLFHR-ROUUACIJSA-N 1 1 374.529 3.097 20 30 FGEDMO CC(C)[C@@H](CNc1nc2c(cc1C#N)CCCC2(C)C)N1CC[NH+](C)CC1 ZINC000575811578 506010721 /nfs/dbraw/zinc/01/07/21/506010721.db2.gz GGUFMXUKUWIUPZ-LJQANCHMSA-N 1 1 369.557 3.251 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000331273810 498290894 /nfs/dbraw/zinc/29/08/94/498290894.db2.gz WEQOPFRPPYTQQJ-GOSISDBHSA-N 1 1 360.502 3.225 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc([S@](C)=O)c1 ZINC000331278247 498291786 /nfs/dbraw/zinc/29/17/86/498291786.db2.gz GSLHCPYLSAVEPV-GYCJOSAFSA-N 1 1 351.516 3.260 20 30 FGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1O ZINC000331360838 498309115 /nfs/dbraw/zinc/30/91/15/498309115.db2.gz YHUYWBFTZUNNRL-NVXWUHKLSA-N 1 1 363.889 3.269 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000281961102 498334769 /nfs/dbraw/zinc/33/47/69/498334769.db2.gz GEDPFIYVVRPVGH-ICSRJNTNSA-N 1 1 350.466 3.004 20 30 FGEDMO C[N@@H+]1CC=C(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000289933231 498358738 /nfs/dbraw/zinc/35/87/38/498358738.db2.gz VFLWHPJENZKCKA-UHFFFAOYSA-N 1 1 363.421 3.129 20 30 FGEDMO N#CCC[C@H](C#N)C[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000365281574 498385189 /nfs/dbraw/zinc/38/51/89/498385189.db2.gz QYQZVPDHRUMYIQ-YLJYHZDGSA-N 1 1 356.514 3.323 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3noc(-c4ccccc4)n3)CC2)cc1 ZINC000302096367 498404242 /nfs/dbraw/zinc/40/42/42/498404242.db2.gz JHXUMXOOGRNSFM-UHFFFAOYSA-N 1 1 359.433 3.321 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000293652220 498442583 /nfs/dbraw/zinc/44/25/83/498442583.db2.gz YBCLNEBRKJLHLD-ZDUSSCGKSA-N 1 1 368.403 3.214 20 30 FGEDMO CC[N@H+](Cc1ccc(C#N)s1)C[C@@H](O)COc1ccc(CCOC)cc1 ZINC000293698658 498458628 /nfs/dbraw/zinc/45/86/28/498458628.db2.gz RHMXTVRPKFRXHX-QGZVFWFLSA-N 1 1 374.506 3.070 20 30 FGEDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)Nc1ccc(F)c(C#N)c1)CC2)C1CC1 ZINC000362107214 498465899 /nfs/dbraw/zinc/46/58/99/498465899.db2.gz TYQHQUPDTJZOCW-OAHLLOKOSA-N 1 1 356.445 3.426 20 30 FGEDMO Cc1[nH+]c(CNC(=O)N[C@@H](CCC#N)c2ccccc2)c2n1CCCC2 ZINC000362274880 498486447 /nfs/dbraw/zinc/48/64/47/498486447.db2.gz ZIHRQRPCLVEYNE-KRWDZBQOSA-N 1 1 351.454 3.372 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(F)c(C#N)c1Cl ZINC000365476978 498486880 /nfs/dbraw/zinc/48/68/80/498486880.db2.gz NJARFHPSOOBRHX-QIIPPGSGSA-N 1 1 365.880 3.330 20 30 FGEDMO C#CCOc1ccc([C@@H](C)NCc2ccncc2OCCC[NH+](C)C)cc1 ZINC000290272425 498489378 /nfs/dbraw/zinc/48/93/78/498489378.db2.gz LNLWRFNNDFSGAU-GOSISDBHSA-N 1 1 367.493 3.275 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000297617960 498513642 /nfs/dbraw/zinc/51/36/42/498513642.db2.gz HBMIARSRSVQDEK-LZNRXBQRSA-N 1 1 351.494 3.487 20 30 FGEDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000302622392 498519302 /nfs/dbraw/zinc/51/93/02/498519302.db2.gz DUGIJJAOJVDAPG-AWEZNQCLSA-N 1 1 354.420 3.263 20 30 FGEDMO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)NCCC1=CCCCC1 ZINC000578901105 506047577 /nfs/dbraw/zinc/04/75/77/506047577.db2.gz RMTBYHVGRPBHCI-UHFFFAOYSA-N 1 1 355.482 3.013 20 30 FGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)NCCC1=CCCCC1 ZINC000578901105 506047580 /nfs/dbraw/zinc/04/75/80/506047580.db2.gz RMTBYHVGRPBHCI-UHFFFAOYSA-N 1 1 355.482 3.013 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2)C[C@@H](C)O1 ZINC000332096556 498559588 /nfs/dbraw/zinc/55/95/88/498559588.db2.gz CLOSDSMYQRNZRW-MBOZVWFJSA-N 1 1 369.509 3.450 20 30 FGEDMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cccc2C#N)C1 ZINC000302881582 498615014 /nfs/dbraw/zinc/61/50/14/498615014.db2.gz JDIFZTIADFRCJQ-HNNXBMFYSA-N 1 1 351.479 3.153 20 30 FGEDMO N#Cc1ccsc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365744386 498622071 /nfs/dbraw/zinc/62/20/71/498622071.db2.gz WUKNTJIFKHYIBC-MSOLQXFVSA-N 1 1 351.475 3.214 20 30 FGEDMO N#CCCn1cc(C(=O)C[NH+]2CCC(c3ccncn3)CC2)c2ccccc21 ZINC000298077000 498658274 /nfs/dbraw/zinc/65/82/74/498658274.db2.gz HJPQRELZESKBLT-UHFFFAOYSA-N 1 1 373.460 3.407 20 30 FGEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)c1 ZINC000290798129 498682816 /nfs/dbraw/zinc/68/28/16/498682816.db2.gz FBADZAGJFFXCOF-FQEVSTJZSA-N 1 1 360.465 3.416 20 30 FGEDMO CC[C@@H](Nc1nccc(C#N)c1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579020543 506075674 /nfs/dbraw/zinc/07/56/74/506075674.db2.gz GHVYUCGVQVPWOE-QZTJIDSGSA-N 1 1 370.884 3.120 20 30 FGEDMO CC[C@@H](Nc1nccc(C#N)c1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579020543 506075676 /nfs/dbraw/zinc/07/56/76/506075676.db2.gz GHVYUCGVQVPWOE-QZTJIDSGSA-N 1 1 370.884 3.120 20 30 FGEDMO C=CCNC(=O)c1cccc(-c2noc([C@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000576096874 506075931 /nfs/dbraw/zinc/07/59/31/506075931.db2.gz YAQRVKFIGRPHQM-SFHVURJKSA-N 1 1 362.433 3.303 20 30 FGEDMO C=CCN(Cc1ncc([C@@H](C)O)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366001932 498726536 /nfs/dbraw/zinc/72/65/36/498726536.db2.gz AXZCQDLCSXZADQ-SJLPKXTDSA-N 1 1 357.523 3.459 20 30 FGEDMO C[C@@]12CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]1C2(F)F ZINC000298353453 498742233 /nfs/dbraw/zinc/74/22/33/498742233.db2.gz SZXZRXPPZYOCFJ-WMLDXEAASA-N 1 1 365.449 3.414 20 30 FGEDMO C=CCOCCCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000363279357 498743685 /nfs/dbraw/zinc/74/36/85/498743685.db2.gz YYYZACMEQMJJOA-APWZRJJASA-N 1 1 350.890 3.432 20 30 FGEDMO COc1c(C)cnc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)c1C ZINC000298399030 498758353 /nfs/dbraw/zinc/75/83/53/498758353.db2.gz OQMGKSXBQAQSQC-UHFFFAOYSA-N 1 1 352.438 3.039 20 30 FGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)[C@H]2C1 ZINC000283054803 498760584 /nfs/dbraw/zinc/76/05/84/498760584.db2.gz RITIGYDLAGNGJL-FZMZJTMJSA-N 1 1 368.359 3.015 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)[C@@H]2C1 ZINC000283054796 498761031 /nfs/dbraw/zinc/76/10/31/498761031.db2.gz RITIGYDLAGNGJL-BXUZGUMPSA-N 1 1 368.359 3.015 20 30 FGEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000291049887 498773642 /nfs/dbraw/zinc/77/36/42/498773642.db2.gz QGMMUTLLTGSVFB-MAUKXSAKSA-N 1 1 352.486 3.003 20 30 FGEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000291049891 498774031 /nfs/dbraw/zinc/77/40/31/498774031.db2.gz QGMMUTLLTGSVFB-YJBOKZPZSA-N 1 1 352.486 3.003 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000287592983 498807468 /nfs/dbraw/zinc/80/74/68/498807468.db2.gz CVUCAIFNLTYASL-NRFANRHFSA-N 1 1 354.425 3.412 20 30 FGEDMO C=CCc1cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc(OC)c1O ZINC000291157285 498820821 /nfs/dbraw/zinc/82/08/21/498820821.db2.gz BZARDWOFPKQRBU-JOCHJYFZSA-N 1 1 353.462 3.265 20 30 FGEDMO CC[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)[C@H](C)C1 ZINC000298596939 498824354 /nfs/dbraw/zinc/82/43/54/498824354.db2.gz SDLPGHJJSRWOGJ-LSDHHAIUSA-N 1 1 374.554 3.099 20 30 FGEDMO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ncc1C#N ZINC000570140109 506099680 /nfs/dbraw/zinc/09/96/80/506099680.db2.gz KYGUWPLZVUHCBB-KNQAVFIVSA-N 1 1 374.488 3.388 20 30 FGEDMO CC(C)c1nc([C@@H]2CCCN(C([O-])=[NH+]C[C@@H]3CCCn4cc[nH+]c43)C2)no1 ZINC000328623559 498879522 /nfs/dbraw/zinc/87/95/22/498879522.db2.gz YZLLSJQQLDLGEM-LSDHHAIUSA-N 1 1 372.473 3.061 20 30 FGEDMO N#Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1OC(F)(F)F ZINC000333071401 498890304 /nfs/dbraw/zinc/89/03/04/498890304.db2.gz KJCUGTSGJRPORP-ZIAGYGMSSA-N 1 1 368.359 3.205 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000328657976 498892713 /nfs/dbraw/zinc/89/27/13/498892713.db2.gz QDZFWYOHJBETPL-CYBMUJFWSA-N 1 1 351.401 3.353 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000298877187 498904532 /nfs/dbraw/zinc/90/45/32/498904532.db2.gz JXHOOZPCYYTGTO-OAHLLOKOSA-N 1 1 355.438 3.296 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000298877187 498904539 /nfs/dbraw/zinc/90/45/39/498904539.db2.gz JXHOOZPCYYTGTO-OAHLLOKOSA-N 1 1 355.438 3.296 20 30 FGEDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000328722541 498915476 /nfs/dbraw/zinc/91/54/76/498915476.db2.gz ABIJHFWYVAIHMA-GOEBONIOSA-N 1 1 362.470 3.429 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)[C@@H]2C1 ZINC000366422922 498920024 /nfs/dbraw/zinc/92/00/24/498920024.db2.gz SXIJAILGROJZKA-DLBZAZTESA-N 1 1 363.502 3.028 20 30 FGEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000283600699 498935041 /nfs/dbraw/zinc/93/50/41/498935041.db2.gz MBMQNTIDUZPFDU-QGZVFWFLSA-N 1 1 354.502 3.084 20 30 FGEDMO CC1(C)C[N@H+](C2(CNC(=O)[C@H]3CCCC(=O)N3)CCCCC2)CCO1 ZINC000328826566 498953045 /nfs/dbraw/zinc/95/30/45/498953045.db2.gz STXDTIXMKAUSLM-OAHLLOKOSA-N 1 1 351.491 3.266 20 30 FGEDMO C[N@@H+](CCNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)C1CCCCC1 ZINC000328922392 498985773 /nfs/dbraw/zinc/98/57/73/498985773.db2.gz UJNZUAROBKVCTG-KRWDZBQOSA-N 1 1 364.534 3.135 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCCC#N)c1 ZINC000291555187 498989395 /nfs/dbraw/zinc/98/93/95/498989395.db2.gz SUHWYJAHVUJGOA-CQSZACIVSA-N 1 1 360.433 3.271 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)CCCC#N)c1 ZINC000291555187 498989403 /nfs/dbraw/zinc/98/94/03/498989403.db2.gz SUHWYJAHVUJGOA-CQSZACIVSA-N 1 1 360.433 3.271 20 30 FGEDMO C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1Cl ZINC000328948376 498996261 /nfs/dbraw/zinc/99/62/61/498996261.db2.gz HAOLCKQPZOWSOT-XCRHUMRWSA-N 1 1 352.862 3.180 20 30 FGEDMO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1 ZINC000328948085 498996297 /nfs/dbraw/zinc/99/62/97/498996297.db2.gz KKHCDKMPDIQDFG-UXHICEINSA-N 1 1 350.466 3.139 20 30 FGEDMO C[C@H](C[NH+]1CCOCC1)C(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000328968333 499001316 /nfs/dbraw/zinc/00/13/16/499001316.db2.gz AHPCJFHCRNBMCX-MRXNPFEDSA-N 1 1 374.481 3.152 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)[C@@H]1c1ccccc1 ZINC000328977757 499003842 /nfs/dbraw/zinc/00/38/42/499003842.db2.gz WTYZVHVRRDCTOA-GNBUJSLZSA-N 1 1 370.497 3.177 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)CC23CCC3)sc2c1CCCC2 ZINC000333515585 499022045 /nfs/dbraw/zinc/02/20/45/499022045.db2.gz JTGFONNRJDVACY-CQSZACIVSA-N 1 1 373.522 3.207 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000333524115 499023168 /nfs/dbraw/zinc/02/31/68/499023168.db2.gz ZYVCGZIWJASVLL-QRVBRYPASA-N 1 1 358.482 3.351 20 30 FGEDMO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000329049700 499027112 /nfs/dbraw/zinc/02/71/12/499027112.db2.gz 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FGEDMO C=CCc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc(OC)c1O ZINC000449431625 501001349 /nfs/dbraw/zinc/00/13/49/501001349.db2.gz YQELCTHHOWJYGV-SIKLNZKXSA-N 1 1 371.452 3.429 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000449524181 501024779 /nfs/dbraw/zinc/02/47/79/501024779.db2.gz ZJDVXZSHFAHRRZ-PWSUYJOCSA-N 1 1 362.065 3.040 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)oc1C ZINC000436143702 501077627 /nfs/dbraw/zinc/07/76/27/501077627.db2.gz KODDCUIBYJEOMY-QGZVFWFLSA-N 1 1 367.449 3.292 20 30 FGEDMO CCOC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)nc1 ZINC000450355046 501098758 /nfs/dbraw/zinc/09/87/58/501098758.db2.gz PKGPURYAAILERI-UHFFFAOYSA-N 1 1 365.433 3.173 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450491108 501135354 /nfs/dbraw/zinc/13/53/54/501135354.db2.gz VZMBSKNVUVNFGN-RTBURBONSA-N 1 1 372.419 3.427 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450491108 501135358 /nfs/dbraw/zinc/13/53/58/501135358.db2.gz VZMBSKNVUVNFGN-RTBURBONSA-N 1 1 372.419 3.427 20 30 FGEDMO CCOc1ccccc1OCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000441549880 501153546 /nfs/dbraw/zinc/15/35/46/501153546.db2.gz ZBHUQLIUUJBGKU-UHFFFAOYSA-N 1 1 351.450 3.158 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000442189795 501206225 /nfs/dbraw/zinc/20/62/25/501206225.db2.gz CNQQFGDZDDXDBM-GXFFZTMASA-N 1 1 356.348 3.061 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ncc(Br)cc1C#N ZINC000450255497 501220306 /nfs/dbraw/zinc/22/03/06/501220306.db2.gz MJQUEQHQFFVESO-ZDUSSCGKSA-N 1 1 351.292 3.204 20 30 FGEDMO Cc1c(C#N)c(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)nc2ccccc12 ZINC000450261905 501221269 /nfs/dbraw/zinc/22/12/69/501221269.db2.gz QFTMQYOKXUDFFN-OAHLLOKOSA-N 1 1 350.466 3.104 20 30 FGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000602645946 506242645 /nfs/dbraw/zinc/24/26/45/506242645.db2.gz VKTKJUXCBOAGHY-CYBMUJFWSA-N 1 1 362.275 3.401 20 30 FGEDMO 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ZINC000475081921 502048983 /nfs/dbraw/zinc/04/89/83/502048983.db2.gz DXCNGAGTOUONKG-OALUTQOASA-N 1 1 370.472 3.086 20 30 FGEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000468488122 502078485 /nfs/dbraw/zinc/07/84/85/502078485.db2.gz OBTUFZUZCBDJKJ-LJQANCHMSA-N 1 1 357.498 3.344 20 30 FGEDMO Cc1cc(C#N)ccc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461449764 502119475 /nfs/dbraw/zinc/11/94/75/502119475.db2.gz YSTUVWBFNNNULO-LEWJYISDSA-N 1 1 359.473 3.461 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(c2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000596177024 506295179 /nfs/dbraw/zinc/29/51/79/506295179.db2.gz LVPFDYRYYHXOHY-UHFFFAOYSA-N 1 1 374.485 3.350 20 30 FGEDMO Cc1cc(NC[C@@H]2CCO[C@H](C)C2)c(C#N)c(NC[C@H]2CCO[C@@H](C)C2)[nH+]1 ZINC000596182144 506295716 /nfs/dbraw/zinc/29/57/16/506295716.db2.gz OPCZWWLUFBFUDV-XDNAFOTISA-N 1 1 372.513 3.138 20 30 FGEDMO Cc1nc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c(Cl)cc1C#N ZINC000461956758 502252379 /nfs/dbraw/zinc/25/23/79/502252379.db2.gz 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FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](OCC3CC3)C1)CCC2 ZINC000494652807 503583711 /nfs/dbraw/zinc/58/37/11/503583711.db2.gz DOOPRRDCCDUXDY-OAHLLOKOSA-N 1 1 373.522 3.328 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494656437 503585605 /nfs/dbraw/zinc/58/56/05/503585605.db2.gz VHVJCZNVYIJQIY-FXAWDEMLSA-N 1 1 355.482 3.213 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494656437 503585607 /nfs/dbraw/zinc/58/56/07/503585607.db2.gz VHVJCZNVYIJQIY-FXAWDEMLSA-N 1 1 355.482 3.213 20 30 FGEDMO CCC[N@@H+](CCc1cccc(F)c1)CC(=O)NCc1ccc(C#N)cc1 ZINC000500242196 503586930 /nfs/dbraw/zinc/58/69/30/503586930.db2.gz VRLSAKSIIYZXHD-UHFFFAOYSA-N 1 1 353.441 3.268 20 30 FGEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000593081078 506381522 /nfs/dbraw/zinc/38/15/22/506381522.db2.gz GULWGXJKJRHQPK-RXVVDRJESA-N 1 1 357.498 3.147 20 30 FGEDMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512659491 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/nfs/dbraw/zinc/17/15/14/507171514.db2.gz POPUMVWBXKSWLJ-KSZLIROESA-N 1 1 355.482 3.062 20 30 FGEDMO CC[NH+]1CCN(c2ccc(-c3noc(CCCCC#N)n3)cc2F)CC1 ZINC000594540483 507178157 /nfs/dbraw/zinc/17/81/57/507178157.db2.gz SKOMBYFKODGKPO-UHFFFAOYSA-N 1 1 357.433 3.254 20 30 FGEDMO CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000597946918 507193225 /nfs/dbraw/zinc/19/32/25/507193225.db2.gz SJXTWCOFYIBGDL-HXUWFJFHSA-N 1 1 363.461 3.303 20 30 FGEDMO C[C@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000610357415 507211474 /nfs/dbraw/zinc/21/14/74/507211474.db2.gz MIKREWJYZQYCIT-SFHVURJKSA-N 1 1 362.477 3.189 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000591475751 507265983 /nfs/dbraw/zinc/26/59/83/507265983.db2.gz KDPSYGHFGRNMDY-HZPDHXFCSA-N 1 1 356.388 3.157 20 30 FGEDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3(C#N)CC4(CC4)C3)cc2)C1 ZINC000601267914 507316232 /nfs/dbraw/zinc/31/62/32/507316232.db2.gz XKYHIJINTYOGQI-INIZCTEOSA-N 1 1 353.466 3.430 20 30 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Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000585756288 507616498 /nfs/dbraw/zinc/61/64/98/507616498.db2.gz RHTXCFXMESNGBJ-KNQAVFIVSA-N 1 1 369.509 3.441 20 30 FGEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(Nc2ccccc2C#N)CC1 ZINC000602181756 507618798 /nfs/dbraw/zinc/61/87/98/507618798.db2.gz SMBSVYZPCWZQBG-MRXNPFEDSA-N 1 1 365.481 3.371 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(N[C@@H](CCO)c3ccccc3F)CC2)cc1 ZINC000592376377 507627532 /nfs/dbraw/zinc/62/75/32/507627532.db2.gz HZGMQKLVHVZTQF-QFIPXVFZSA-N 1 1 367.468 3.375 20 30 FGEDMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccnc(C#N)c2)CC1 ZINC000611385440 507655172 /nfs/dbraw/zinc/65/51/72/507655172.db2.gz JQJKKLYWJVVFLD-MRXNPFEDSA-N 1 1 367.472 3.085 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC([C@H]4CCCCO4)CC3)o2)cc1 ZINC000595785414 507683384 /nfs/dbraw/zinc/68/33/84/507683384.db2.gz FINVGDBUYQRDIZ-GOSISDBHSA-N 1 1 352.438 3.389 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@H]2Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000611475797 507699301 /nfs/dbraw/zinc/69/93/01/507699301.db2.gz NDEHCEVIIFVMEX-YADHBBJMSA-N 1 1 374.488 3.497 20 30 FGEDMO N#C[C@@]1(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCSC1 ZINC000611488222 507704102 /nfs/dbraw/zinc/70/41/02/507704102.db2.gz FUJZCNRZJPMQRP-KXBFYZLASA-N 1 1 358.511 3.009 20 30 FGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)ccn1 ZINC000611488201 507704185 /nfs/dbraw/zinc/70/41/85/507704185.db2.gz AHBICZXXJSORGX-KRWDZBQOSA-N 1 1 350.470 3.499 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c(C(F)(F)F)c1 ZINC000595830087 507705366 /nfs/dbraw/zinc/70/53/66/507705366.db2.gz UCBMTLLEMPZEBM-AWEZNQCLSA-N 1 1 351.372 3.021 20 30 FGEDMO C[C@@]1(C#N)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000595838914 507708605 /nfs/dbraw/zinc/70/86/05/507708605.db2.gz DTPDKOLWVUMFEW-HNNXBMFYSA-N 1 1 370.234 3.296 20 30 FGEDMO C[C@@]1(C#N)CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000595838914 507708610 /nfs/dbraw/zinc/70/86/10/507708610.db2.gz DTPDKOLWVUMFEW-HNNXBMFYSA-N 1 1 370.234 3.296 20 30 FGEDMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1C[C@@H](C)CCC#N ZINC000602435473 507711208 /nfs/dbraw/zinc/71/12/08/507711208.db2.gz UDNMSJXBOJQHOW-YOEHRIQHSA-N 1 1 360.454 3.106 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)s1 ZINC000595915504 507741825 /nfs/dbraw/zinc/74/18/25/507741825.db2.gz ZUILRMGWGZPKQY-INIZCTEOSA-N 1 1 355.463 3.489 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(N3C[C@H]([NH+]4CCOCC4)C[C@@H]3C)c2c1 ZINC000588070246 507751543 /nfs/dbraw/zinc/75/15/43/507751543.db2.gz WJDLPGSMTVAVAM-GOEBONIOSA-N 1 1 370.884 3.368 20 30 FGEDMO C[NH+](C)Cc1cnc(CNc2ccn(-c3cccc(F)c3C#N)n2)s1 ZINC000511911826 561885339 /nfs/dbraw/zinc/88/53/39/561885339.db2.gz QUQCHBANTAKNBK-UHFFFAOYSA-N 1 1 356.430 3.013 20 30 FGEDMO C=CC[C@H]1N(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2CC)CCCC1(C)C ZINC000669134151 568131869 /nfs/dbraw/zinc/13/18/69/568131869.db2.gz NGHMSDQZODGPAI-FGTMMUONSA-N 1 1 373.545 3.405 20 30 FGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000737684169 598886906 /nfs/dbraw/zinc/88/69/06/598886906.db2.gz NNKXSYBWPXZMRN-CQSZACIVSA-N 1 1 363.450 3.128 20 30 FGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735874560 598682972 /nfs/dbraw/zinc/68/29/72/598682972.db2.gz QTPGQGMQDHPYCO-UHFFFAOYSA-N 1 1 350.401 3.288 20 30 FGEDMO CC(N=Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823958575 609515913 /nfs/dbraw/zinc/51/59/13/609515913.db2.gz RGCCYHIOILFQCR-GOSISDBHSA-N 1 1 361.453 3.177 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000046086386 695831939 /nfs/dbraw/zinc/83/19/39/695831939.db2.gz QCAZOUUGZQAFIS-FQEVSTJZSA-N 1 1 355.869 3.457 20 30 FGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](CN(CC)CC(F)(F)F)C2)cc1 ZINC000093771081 700453892 /nfs/dbraw/zinc/45/38/92/700453892.db2.gz WVTNMDHYRZOMHL-KRWDZBQOSA-N 1 1 354.416 3.405 20 30 FGEDMO CCc1ccc(C[NH+]2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)s1 ZINC000127529871 700762674 /nfs/dbraw/zinc/76/26/74/700762674.db2.gz CBXZCLCOYXVTNR-FQEVSTJZSA-N 1 1 355.507 3.033 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccc(F)cc3Cl)CC2)cc1 ZINC000153460715 705000086 /nfs/dbraw/zinc/00/00/86/705000086.db2.gz ZGNSITFCCQGXCS-IBGZPJMESA-N 1 1 359.832 3.206 20 30 FGEDMO COc1ccccc1S(=O)(=O)CCCO[NH+]=C(N)C1CCCCCC1 ZINC000185120279 712685056 /nfs/dbraw/zinc/68/50/56/712685056.db2.gz XHKFYYVGIFQIDF-UHFFFAOYSA-N 1 1 368.499 3.118 20 30 FGEDMO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000189647141 712798687 /nfs/dbraw/zinc/79/86/87/712798687.db2.gz UOGBQEHRLSKTTK-IBGZPJMESA-N 1 1 361.511 3.064 20 30 FGEDMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000189647141 712798688 /nfs/dbraw/zinc/79/86/88/712798688.db2.gz UOGBQEHRLSKTTK-IBGZPJMESA-N 1 1 361.511 3.064 20 30 FGEDMO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](CC(C)C)N(C)C)c1 ZINC000303785105 713788375 /nfs/dbraw/zinc/78/83/75/713788375.db2.gz PZCMNNDXBNZGJJ-OAHLLOKOSA-N 1 1 350.507 3.187 20 30 FGEDMO C[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000329190975 713827852 /nfs/dbraw/zinc/82/78/52/713827852.db2.gz SCNPIOYTUGXELO-INMHGKMJSA-N 1 1 367.559 3.155 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000374985549 713958484 /nfs/dbraw/zinc/95/84/84/713958484.db2.gz ZCVTTXCSRJRUOR-AWEZNQCLSA-N 1 1 360.889 3.099 20 30 FGEDMO C[C@@H](Nc1ncc(C#N)cc1Cl)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000525462012 714354962 /nfs/dbraw/zinc/35/49/62/714354962.db2.gz VCQJZDIEXQMFHQ-KDOFPFPSSA-N 1 1 356.857 3.308 20 30 FGEDMO C[C@@H](Nc1ncc(C#N)cc1Cl)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000525462012 714354965 /nfs/dbraw/zinc/35/49/65/714354965.db2.gz VCQJZDIEXQMFHQ-KDOFPFPSSA-N 1 1 356.857 3.308 20 30 FGEDMO C=CCOc1c(Cl)cc(CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000623446229 715337911 /nfs/dbraw/zinc/33/79/11/715337911.db2.gz VYECYHXHVZRKCW-SUMWQHHRSA-N 1 1 350.890 3.486 20 30 FGEDMO C=CCOc1c(Cl)cc(CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000623446229 715337916 /nfs/dbraw/zinc/33/79/16/715337916.db2.gz VYECYHXHVZRKCW-SUMWQHHRSA-N 1 1 350.890 3.486 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000779155665 724396167 /nfs/dbraw/zinc/39/61/67/724396167.db2.gz IBMWJNOBTIWBDB-INIZCTEOSA-N 1 1 362.901 3.480 20 30 FGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000625699675 715775369 /nfs/dbraw/zinc/77/53/69/715775369.db2.gz CJVUZRRBSOAJQI-GFCCVEGCSA-N 1 1 357.317 3.367 20 30 FGEDMO C=CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000626710901 715955083 /nfs/dbraw/zinc/95/50/83/715955083.db2.gz UJJUVPZSPKTJFH-QZTJIDSGSA-N 1 1 355.507 3.441 20 30 FGEDMO C=CCOc1c(Cl)cc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1OC ZINC000628234794 716127796 /nfs/dbraw/zinc/12/77/96/716127796.db2.gz NQBNPSFGORAHSP-WBVHZDCISA-N 1 1 350.890 3.439 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1OC ZINC000628338727 716143729 /nfs/dbraw/zinc/14/37/29/716143729.db2.gz UKONGVAVDKCFHP-ZBFHGGJFSA-N 1 1 364.873 3.014 20 30 FGEDMO Fc1cccc(OC(F)(F)F)c1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000631211432 716587625 /nfs/dbraw/zinc/58/76/25/716587625.db2.gz ULFRTEUNHLXZHT-LLVKDONJSA-N 1 1 372.244 3.209 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)C1=O ZINC000799117308 723988963 /nfs/dbraw/zinc/98/89/63/723988963.db2.gz VOVGZWYKTWWYQE-SJORKVTESA-N 1 1 363.299 3.243 20 30 FGEDMO C#CCNc1nc(NCc2cccs2)[nH+]c(NCc2cccs2)n1 ZINC000804324269 724504672 /nfs/dbraw/zinc/50/46/72/724504672.db2.gz ZKUMHQWFXGAXMI-UHFFFAOYSA-N 1 1 356.480 3.264 20 30 FGEDMO C#CCNc1nc(NCc2cccs2)nc(NCc2cccs2)[nH+]1 ZINC000804324269 724504674 /nfs/dbraw/zinc/50/46/74/724504674.db2.gz ZKUMHQWFXGAXMI-UHFFFAOYSA-N 1 1 356.480 3.264 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000804327836 724505215 /nfs/dbraw/zinc/50/52/15/724505215.db2.gz YPTCBNXGVTUVHF-UHFFFAOYSA-N 1 1 356.813 3.442 20 30 FGEDMO N#Cc1sc(NCC2(C[NH+]3CCOCC3)CCCCC2)nc1Cl ZINC000804538811 724526767 /nfs/dbraw/zinc/52/67/67/724526767.db2.gz UQIKILWHVDYSAY-UHFFFAOYSA-N 1 1 354.907 3.363 20 30 FGEDMO C#CCC[N@H+](C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000785518745 724918966 /nfs/dbraw/zinc/91/89/66/724918966.db2.gz TWTOVAZDMJGMPC-HNNXBMFYSA-N 1 1 352.272 3.462 20 30 FGEDMO C=CCCn1cc(CNc2ccc(C[NH+](C)C)c(Br)c2)nn1 ZINC000657445630 719652032 /nfs/dbraw/zinc/65/20/32/719652032.db2.gz HCSBGASUJYBOBX-UHFFFAOYSA-N 1 1 364.291 3.290 20 30 FGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(C#N)cc1Cl)C2 ZINC001164815150 720198869 /nfs/dbraw/zinc/19/88/69/720198869.db2.gz WOAGGOPVGBQJDU-PXNSSMCTSA-N 1 1 374.916 3.100 20 30 FGEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)[C@@H](C)COC ZINC000661248981 720215513 /nfs/dbraw/zinc/21/55/13/720215513.db2.gz XHWKBYDDMLVRFX-UONOGXRCSA-N 1 1 369.303 3.149 20 30 FGEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)[C@@H](C)COC ZINC000661248981 720215514 /nfs/dbraw/zinc/21/55/14/720215514.db2.gz XHWKBYDDMLVRFX-UONOGXRCSA-N 1 1 369.303 3.149 20 30 FGEDMO O=C1CCCN1C[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000662057610 720367889 /nfs/dbraw/zinc/36/78/89/720367889.db2.gz PHNYRSILPMNAAL-INIZCTEOSA-N 1 1 350.384 3.001 20 30 FGEDMO N#Cc1cc2c(nc1N1CC[C@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)CCCC2 ZINC001164733896 720435921 /nfs/dbraw/zinc/43/59/21/720435921.db2.gz QNPVYQHYDBDYGO-SFTDATJTSA-N 1 1 359.477 3.080 20 30 FGEDMO Cc1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)cc1C#N ZINC001164732283 720478617 /nfs/dbraw/zinc/47/86/17/720478617.db2.gz ZABIKJSYJFNPER-QZTJIDSGSA-N 1 1 353.857 3.163 20 30 FGEDMO Cc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)cc1C#N ZINC001164732283 720478621 /nfs/dbraw/zinc/47/86/21/720478621.db2.gz ZABIKJSYJFNPER-QZTJIDSGSA-N 1 1 353.857 3.163 20 30 FGEDMO C=CCS(=O)(=O)CC[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000783533414 724762238 /nfs/dbraw/zinc/76/22/38/724762238.db2.gz ZRGYGSIXGSMGSY-LJQANCHMSA-N 1 1 363.454 3.114 20 30 FGEDMO N#Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164900005 721515632 /nfs/dbraw/zinc/51/56/32/721515632.db2.gz MZZYHFPPJUYQHN-HOCLYGCPSA-N 1 1 372.831 3.088 20 30 FGEDMO N#Cc1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164903959 721583027 /nfs/dbraw/zinc/58/30/27/721583027.db2.gz PLJJJYJZULUFSU-LJQANCHMSA-N 1 1 369.419 3.086 20 30 FGEDMO Cc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C#N)c1 ZINC001165025790 721802684 /nfs/dbraw/zinc/80/26/84/721802684.db2.gz OUMGPNCJDBZKGW-WMQCIHAUSA-N 1 1 361.493 3.394 20 30 FGEDMO Cc1ccc(C#N)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165021554 721805315 /nfs/dbraw/zinc/80/53/15/721805315.db2.gz HLZWAIHCBNCPCT-TYPHKJRUSA-N 1 1 361.493 3.394 20 30 FGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC(N)=O)cc1 ZINC000725795191 722422745 /nfs/dbraw/zinc/42/27/45/722422745.db2.gz RXSWLHZNENXYLP-UHFFFAOYSA-N 1 1 350.871 3.454 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC(N)=O)cc1 ZINC000725795191 722422747 /nfs/dbraw/zinc/42/27/47/722422747.db2.gz RXSWLHZNENXYLP-UHFFFAOYSA-N 1 1 350.871 3.454 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000729811993 722462798 /nfs/dbraw/zinc/46/27/98/722462798.db2.gz IRDPXYQWPDYTBC-GFCCVEGCSA-N 1 1 362.401 3.343 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000729811993 722462799 /nfs/dbraw/zinc/46/27/99/722462799.db2.gz IRDPXYQWPDYTBC-GFCCVEGCSA-N 1 1 362.401 3.343 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000733794256 722500862 /nfs/dbraw/zinc/50/08/62/722500862.db2.gz HZVQTVYRXNXBFS-UHFFFAOYSA-N 1 1 369.690 3.064 20 30 FGEDMO COc1ccc([C@H]2[C@@H](COC(=O)c3sccc3C#N)CC[N@H+]2C)cc1 ZINC000741120562 722542740 /nfs/dbraw/zinc/54/27/40/722542740.db2.gz IAYGTSANWCWZSE-WBVHZDCISA-N 1 1 356.447 3.478 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000743256997 722565269 /nfs/dbraw/zinc/56/52/69/722565269.db2.gz ALVIOWJQBPXGAT-HXUWFJFHSA-N 1 1 355.869 3.063 20 30 FGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000748989475 722711996 /nfs/dbraw/zinc/71/19/96/722711996.db2.gz MBTRSAQHHJHZEE-AWEZNQCLSA-N 1 1 361.276 3.422 20 30 FGEDMO C[C@@H](C(=O)OCc1ccc(C#N)cc1OC(F)F)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000752555550 722862280 /nfs/dbraw/zinc/86/22/80/722862280.db2.gz RNALGEWPOJGRPT-XQQFMLRXSA-N 1 1 352.381 3.464 20 30 FGEDMO C[S@](=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000754166092 722930381 /nfs/dbraw/zinc/93/03/81/722930381.db2.gz DORYKZXSJYTKCN-OSPHWJPCSA-N 1 1 362.882 3.452 20 30 FGEDMO C#CC[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C1CCCC1 ZINC000756912008 722971781 /nfs/dbraw/zinc/97/17/81/722971781.db2.gz QWEOOITYRCIOAP-UHFFFAOYSA-N 1 1 356.363 3.339 20 30 FGEDMO C#CCOc1ccc(Br)cc1CN[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000757701977 722978587 /nfs/dbraw/zinc/97/85/87/722978587.db2.gz CTEPFEOIXDNBNV-SUMWQHHRSA-N 1 1 363.299 3.033 20 30 FGEDMO C#CCOc1ccc(Br)cc1CN[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000757701977 722978588 /nfs/dbraw/zinc/97/85/88/722978588.db2.gz CTEPFEOIXDNBNV-SUMWQHHRSA-N 1 1 363.299 3.033 20 30 FGEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000758524197 722991081 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30 FGEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000767900137 723638748 /nfs/dbraw/zinc/63/87/48/723638748.db2.gz PFBKHMXFGFVYBO-UHFFFAOYSA-N 1 1 356.539 3.487 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775138791 723963309 /nfs/dbraw/zinc/96/33/09/723963309.db2.gz RHWDLBSQOXSLLQ-LRDDRELGSA-N 1 1 361.791 3.487 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775138791 723963310 /nfs/dbraw/zinc/96/33/10/723963310.db2.gz RHWDLBSQOXSLLQ-LRDDRELGSA-N 1 1 361.791 3.487 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)C1=O ZINC000799126933 723989570 /nfs/dbraw/zinc/98/95/70/723989570.db2.gz CIZZKSQKPFXIKS-RBUKOAKNSA-N 1 1 356.491 3.071 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)C1=O ZINC000799126933 723989571 /nfs/dbraw/zinc/98/95/71/723989571.db2.gz CIZZKSQKPFXIKS-RBUKOAKNSA-N 1 1 356.491 3.071 20 30 FGEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCN1C(=O)OC(C)(C)C ZINC000799139286 723990349 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3.082 20 30 FGEDMO C[C@@H](C#N)OCCN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000801938112 724348216 /nfs/dbraw/zinc/34/82/16/724348216.db2.gz CLAKMUIFTGRTQQ-KBXCAEBGSA-N 1 1 351.441 3.399 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785740691 724934568 /nfs/dbraw/zinc/93/45/68/724934568.db2.gz JNDAKIKJRITVCN-OWCLPIDISA-N 1 1 364.511 3.067 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785740691 724934569 /nfs/dbraw/zinc/93/45/69/724934569.db2.gz JNDAKIKJRITVCN-OWCLPIDISA-N 1 1 364.511 3.067 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CCC)C1)c1ccc(Cl)cc1F ZINC000805183046 725055210 /nfs/dbraw/zinc/05/52/10/725055210.db2.gz APASOOWRUNROPF-SUMWQHHRSA-N 1 1 351.853 3.185 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000805766611 725093225 /nfs/dbraw/zinc/09/32/25/725093225.db2.gz NITIBSVQZZEHLT-ILZDJORESA-N 1 1 354.475 3.092 20 30 FGEDMO Clc1ccc(-c2ncc(C=NNCCC[NH+]3CCOCC3)s2)cc1 ZINC000789064516 725106459 /nfs/dbraw/zinc/10/64/59/725106459.db2.gz ZJJQCTAICZFHPX-UHFFFAOYSA-N 1 1 364.902 3.109 20 30 FGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC000809637677 725254777 /nfs/dbraw/zinc/25/47/77/725254777.db2.gz YWOOJQFMDLXDKF-HXUWFJFHSA-N 1 1 354.475 3.074 20 30 FGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC000809637677 725254778 /nfs/dbraw/zinc/25/47/78/725254778.db2.gz YWOOJQFMDLXDKF-HXUWFJFHSA-N 1 1 354.475 3.074 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697001 725259809 /nfs/dbraw/zinc/25/98/09/725259809.db2.gz BHHJAGXYRSKFHE-JSGCOSHPSA-N 1 1 361.791 3.345 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697001 725259810 /nfs/dbraw/zinc/25/98/10/725259810.db2.gz BHHJAGXYRSKFHE-JSGCOSHPSA-N 1 1 361.791 3.345 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)C1 ZINC000810555965 725314789 /nfs/dbraw/zinc/31/47/89/725314789.db2.gz VENNPGMBPMKTPL-DNVCBOLYSA-N 1 1 350.409 3.264 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CCCSCC#N)CC[C@@H]2C1 ZINC000814675985 726991883 /nfs/dbraw/zinc/99/18/83/726991883.db2.gz DGSSOYGNSHWAEI-IYBDPMFKSA-N 1 1 353.532 3.212 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCOCCC#N)C2(CCCCC2)C1 ZINC000815070794 727031416 /nfs/dbraw/zinc/03/14/16/727031416.db2.gz DSZFGJLEPAFIHK-UHFFFAOYSA-N 1 1 351.491 3.172 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815198756 727051331 /nfs/dbraw/zinc/05/13/31/727051331.db2.gz YFVRFMSYHFHIKF-SQNIBIBYSA-N 1 1 352.519 3.425 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199918 727051414 /nfs/dbraw/zinc/05/14/14/727051414.db2.gz JPXBFTNJOWSDOC-IKGGRYGDSA-N 1 1 351.491 3.027 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000817867003 727286346 /nfs/dbraw/zinc/28/63/46/727286346.db2.gz QMJZNVHIPYKQIY-PWSUYJOCSA-N 1 1 359.779 3.029 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000817867003 727286347 /nfs/dbraw/zinc/28/63/47/727286347.db2.gz QMJZNVHIPYKQIY-PWSUYJOCSA-N 1 1 359.779 3.029 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)s1 ZINC000819553412 727381797 /nfs/dbraw/zinc/38/17/97/727381797.db2.gz AAFDHPAFLAWLQX-OLZOCXBDSA-N 1 1 371.959 3.001 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)C[C@H]2CCC[N@H+]2C)s1 ZINC000819575734 727383138 /nfs/dbraw/zinc/38/31/38/727383138.db2.gz IMQDZMFAEFDSPY-CYBMUJFWSA-N 1 1 373.975 3.391 20 30 FGEDMO C#C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000820738399 729023502 /nfs/dbraw/zinc/02/35/02/729023502.db2.gz YDRAGQANFZCGAS-JDFRZJQESA-N 1 1 351.853 3.278 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C#Cc1cccs1 ZINC000825818628 729396340 /nfs/dbraw/zinc/39/63/40/729396340.db2.gz BNNJYZUVFLOSPE-GOSISDBHSA-N 1 1 353.491 3.008 20 30 FGEDMO C#CCC[N@H+](CCOC)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000827823629 729435564 /nfs/dbraw/zinc/43/55/64/729435564.db2.gz RTUNDXORENKBOQ-UHFFFAOYSA-N 1 1 368.271 3.082 20 30 FGEDMO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000829793907 729512453 /nfs/dbraw/zinc/51/24/53/729512453.db2.gz NKVGSUZJJCTESA-CYBMUJFWSA-N 1 1 350.846 3.031 20 30 FGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000829793907 729512458 /nfs/dbraw/zinc/51/24/58/729512458.db2.gz NKVGSUZJJCTESA-CYBMUJFWSA-N 1 1 350.846 3.031 20 30 FGEDMO C#Cc1ccc([C@@H](OC(=O)C[N@@H+](C)[C@@H]2CCSC2)C(F)(F)F)cc1 ZINC000836081029 729939303 /nfs/dbraw/zinc/93/93/03/729939303.db2.gz OYGCYKAGQIDOOD-GDBMZVCRSA-N 1 1 357.397 3.252 20 30 FGEDMO C#Cc1ccc([C@@H](OC(=O)C[N@H+](C)[C@@H]2CCSC2)C(F)(F)F)cc1 ZINC000836081029 729939304 /nfs/dbraw/zinc/93/93/04/729939304.db2.gz OYGCYKAGQIDOOD-GDBMZVCRSA-N 1 1 357.397 3.252 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000836288226 729950760 /nfs/dbraw/zinc/95/07/60/729950760.db2.gz NNBODOSWNKRRCK-HNNXBMFYSA-N 1 1 356.495 3.125 20 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CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C2CC2)C[C@H]1C ZINC000568639392 505742835 /nfs/dbraw/zinc/74/28/35/505742835.db2.gz GNHDROAQTRDLAK-DNVCBOLYSA-N 1 1 364.497 3.461 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1Cl ZINC000093017038 494810358 /nfs/dbraw/zinc/81/03/58/494810358.db2.gz TZYOWEPLFFFUPR-GOSISDBHSA-N 1 1 364.917 3.449 20 30 FGEDMO C=CCOc1ccc(CN2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000093017038 494810359 /nfs/dbraw/zinc/81/03/59/494810359.db2.gz TZYOWEPLFFFUPR-GOSISDBHSA-N 1 1 364.917 3.449 20 30 FGEDMO C[C@@H]1C[N@H+](C2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)CCO1 ZINC000121728551 494846633 /nfs/dbraw/zinc/84/66/33/494846633.db2.gz PEJKZXXPYHNKBB-CYBMUJFWSA-N 1 1 353.388 3.267 20 30 FGEDMO C/C=C/c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000027208177 494856580 /nfs/dbraw/zinc/85/65/80/494856580.db2.gz GZHFFTXTJFDZHY-XXIDSNJLSA-N 1 1 366.461 3.472 20 30 FGEDMO N#Cc1cnc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000121902256 494885931 /nfs/dbraw/zinc/88/59/31/494885931.db2.gz SWRGWJZNYVXYFQ-UHFFFAOYSA-N 1 1 361.371 3.444 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CC[C@@H](C)O)cc1OC ZINC000093481530 494896258 /nfs/dbraw/zinc/89/62/58/494896258.db2.gz UPLCYLZNOKLQDK-GFCCVEGCSA-N 1 1 358.276 3.225 20 30 FGEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H](C)C1 ZINC000127239291 494914752 /nfs/dbraw/zinc/91/47/52/494914752.db2.gz NNCCHNMGLBNTSK-JKSUJKDBSA-N 1 1 351.454 3.050 20 30 FGEDMO N#Cc1ccc2ncc(CN3CCC(CCC[NH+]4CCCC4)CC3)n2c1 ZINC000093769306 494919313 /nfs/dbraw/zinc/91/93/13/494919313.db2.gz GUCLIHNFWWHDJA-UHFFFAOYSA-N 1 1 351.498 3.294 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H]2CCOC2)cc1OC ZINC000093840024 494925871 /nfs/dbraw/zinc/92/58/71/494925871.db2.gz IMOIDXRJNAHEPQ-CYBMUJFWSA-N 1 1 370.287 3.491 20 30 FGEDMO C[N@@H+](CCOc1cccc(CNc2cnccc2C#N)c1)C1CCOCC1 ZINC000094154923 494954911 /nfs/dbraw/zinc/95/49/11/494954911.db2.gz XIWGYEZQZPRDPK-UHFFFAOYSA-N 1 1 366.465 3.055 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000580411932 505753904 /nfs/dbraw/zinc/75/39/04/505753904.db2.gz BJMCZQVSDNPZGD-QAPCUYQASA-N 1 1 373.522 3.399 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000580411932 505753907 /nfs/dbraw/zinc/75/39/07/505753907.db2.gz BJMCZQVSDNPZGD-QAPCUYQASA-N 1 1 373.522 3.399 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)c1C ZINC000568698785 505755338 /nfs/dbraw/zinc/75/53/38/505755338.db2.gz RHBKDWXKGVCBBT-VQIMIIECSA-N 1 1 357.498 3.033 20 30 FGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1)CCC2 ZINC000111310560 495062981 /nfs/dbraw/zinc/06/29/81/495062981.db2.gz RPXHYBLRRYZQJA-MRXNPFEDSA-N 1 1 360.527 3.446 20 30 FGEDMO Cc1nc2c(s1)[C@H]([N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1)CCC2 ZINC000111310560 495062986 /nfs/dbraw/zinc/06/29/86/495062986.db2.gz RPXHYBLRRYZQJA-MRXNPFEDSA-N 1 1 360.527 3.446 20 30 FGEDMO Cc1nnc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000133834709 495068169 /nfs/dbraw/zinc/06/81/69/495068169.db2.gz VNLWFRCZTNRGHH-TZIWHRDSSA-N 1 1 361.493 3.456 20 30 FGEDMO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000580445917 505761424 /nfs/dbraw/zinc/76/14/24/505761424.db2.gz MKAIIBLOUMSUBV-RBUKOAKNSA-N 1 1 361.449 3.279 20 30 FGEDMO COc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000123209442 495097609 /nfs/dbraw/zinc/09/76/09/495097609.db2.gz IVXDXFZJELQHOQ-UHFFFAOYSA-N 1 1 367.449 3.425 20 30 FGEDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000123209442 495097612 /nfs/dbraw/zinc/09/76/12/495097612.db2.gz IVXDXFZJELQHOQ-UHFFFAOYSA-N 1 1 367.449 3.425 20 30 FGEDMO C=CCN(CC=C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000111758583 495107877 /nfs/dbraw/zinc/10/78/77/495107877.db2.gz TUQNVHMDYNWCKJ-UHFFFAOYSA-N 1 1 368.481 3.179 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+](CCCO)Cc2cccc(Cl)c2)cc1 ZINC000134290918 495130853 /nfs/dbraw/zinc/13/08/53/495130853.db2.gz XGKRZRUKYIGULP-UHFFFAOYSA-N 1 1 371.868 3.425 20 30 FGEDMO COCC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000112352559 495179086 /nfs/dbraw/zinc/17/90/86/495179086.db2.gz OWTRAZXAHYMUCG-UHFFFAOYSA-N 1 1 372.513 3.389 20 30 FGEDMO COCC1CC[NH+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000112352827 495179261 /nfs/dbraw/zinc/17/92/61/495179261.db2.gz QVZKMETYSFHUMX-OAHLLOKOSA-N 1 1 361.511 3.235 20 30 FGEDMO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(OC)c(C#N)c1 ZINC000134975877 495234051 /nfs/dbraw/zinc/23/40/51/495234051.db2.gz SSBTZNJCMYMRBI-UHFFFAOYSA-N 1 1 353.422 3.036 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(OC)c(C#N)c1 ZINC000134975877 495234054 /nfs/dbraw/zinc/23/40/54/495234054.db2.gz SSBTZNJCMYMRBI-UHFFFAOYSA-N 1 1 353.422 3.036 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1C#N ZINC000135180017 495259566 /nfs/dbraw/zinc/25/95/66/495259566.db2.gz HMJAPXZCQNBWFF-SFHVURJKSA-N 1 1 368.412 3.102 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1C#N ZINC000135180017 495259571 /nfs/dbraw/zinc/25/95/71/495259571.db2.gz HMJAPXZCQNBWFF-SFHVURJKSA-N 1 1 368.412 3.102 20 30 FGEDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000124273429 495261089 /nfs/dbraw/zinc/26/10/89/495261089.db2.gz OCGVJPOOUMCBRC-CQSZACIVSA-N 1 1 355.360 3.312 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000135192967 495261129 /nfs/dbraw/zinc/26/11/29/495261129.db2.gz MWXDRYMCQBRTNN-GOSISDBHSA-N 1 1 357.523 3.028 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000119928485 495271515 /nfs/dbraw/zinc/27/15/15/495271515.db2.gz GIXHMYWDDPHTDQ-UTKZUKDTSA-N 1 1 359.473 3.492 20 30 FGEDMO CC[N@H+]1CCC[C@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000105101681 495336629 /nfs/dbraw/zinc/33/66/29/495336629.db2.gz SOCYNMIDAXQSPI-MRXNPFEDSA-N 1 1 367.415 3.088 20 30 FGEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(OC)c(OC)c1 ZINC000120299375 495347110 /nfs/dbraw/zinc/34/71/10/495347110.db2.gz BNJZNSBSOTYIPK-UHFFFAOYSA-N 1 1 350.422 3.245 20 30 FGEDMO C[C@H]1C[C@@H](CNCc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000120332497 495353602 /nfs/dbraw/zinc/35/36/02/495353602.db2.gz AQAUHZKFLUMHDW-PXNSSMCTSA-N 1 1 359.477 3.206 20 30 FGEDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1OC ZINC000114501626 495386679 /nfs/dbraw/zinc/38/66/79/495386679.db2.gz POLKNBDNTUVXRV-STQMWFEESA-N 1 1 371.412 3.392 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000125118084 495393321 /nfs/dbraw/zinc/39/33/21/495393321.db2.gz ITNCJOMNFCFWNW-YWZLYKJASA-N 1 1 366.440 3.017 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)n2c1 ZINC000120526586 495398701 /nfs/dbraw/zinc/39/87/01/495398701.db2.gz OWXQOVIZJISURJ-QGZVFWFLSA-N 1 1 352.463 3.449 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)n2c1 ZINC000120526586 495398704 /nfs/dbraw/zinc/39/87/04/495398704.db2.gz OWXQOVIZJISURJ-QGZVFWFLSA-N 1 1 352.463 3.449 20 30 FGEDMO CC(C)Cc1nnc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000136805813 495402172 /nfs/dbraw/zinc/40/21/72/495402172.db2.gz SYMBWIMSZOMGLM-UHFFFAOYSA-N 1 1 371.510 3.457 20 30 FGEDMO CC(C)Cc1nnc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000136805813 495402176 /nfs/dbraw/zinc/40/21/76/495402176.db2.gz SYMBWIMSZOMGLM-UHFFFAOYSA-N 1 1 371.510 3.457 20 30 FGEDMO CCCC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000125274981 495418357 /nfs/dbraw/zinc/41/83/57/495418357.db2.gz JTZJNODNSXQVEK-UHFFFAOYSA-N 1 1 354.498 3.356 20 30 FGEDMO Cc1cc(C)n(CC2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000106188750 495427857 /nfs/dbraw/zinc/42/78/57/495427857.db2.gz SOADPHWXYHAAIX-KRWDZBQOSA-N 1 1 365.481 3.111 20 30 FGEDMO COc1cccc2c(N3CCN(c4ncccc4C#N)CC3)cc(C)[nH+]c12 ZINC000120682326 495433917 /nfs/dbraw/zinc/43/39/17/495433917.db2.gz XTSDPCREOIUDJP-UHFFFAOYSA-N 1 1 359.433 3.145 20 30 FGEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)N(CC)CC)CC1 ZINC000106335967 495445891 /nfs/dbraw/zinc/44/58/91/495445891.db2.gz WQVBHMJRFDYVOR-SFHVURJKSA-N 1 1 362.518 3.002 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2ccccc2C#N)cc1 ZINC000125729880 495489128 /nfs/dbraw/zinc/48/91/28/495489128.db2.gz TWFOTLQYFMKFHX-CQSZACIVSA-N 1 1 366.446 3.092 20 30 FGEDMO CC(C)(C)c1ccc(OCC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 ZINC000115595498 495520422 /nfs/dbraw/zinc/52/04/22/495520422.db2.gz MZOMHGJFTILGNB-LJQANCHMSA-N 1 1 351.450 3.051 20 30 FGEDMO C[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000107372708 495526221 /nfs/dbraw/zinc/52/62/21/495526221.db2.gz LYDPHNUPTUAEHO-QGZVFWFLSA-N 1 1 362.832 3.417 20 30 FGEDMO C[N@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000107372708 495526222 /nfs/dbraw/zinc/52/62/22/495526222.db2.gz LYDPHNUPTUAEHO-QGZVFWFLSA-N 1 1 362.832 3.417 20 30 FGEDMO Cc1cnc([C@H]([NH2+]CC(=O)N(CCC#N)c2ccccc2)C2CC2)s1 ZINC000185330767 495534547 /nfs/dbraw/zinc/53/45/47/495534547.db2.gz GPJUNXKQRIBTHO-GOSISDBHSA-N 1 1 354.479 3.439 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158562002 495538158 /nfs/dbraw/zinc/53/81/58/495538158.db2.gz LAWLYZYZUQFJKU-JOCHJYFZSA-N 1 1 361.445 3.061 20 30 FGEDMO N#CC1(c2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc2)CC1 ZINC000182406611 495551272 /nfs/dbraw/zinc/55/12/72/495551272.db2.gz HATJWNJMYFTEND-UHFFFAOYSA-N 1 1 367.493 3.007 20 30 FGEDMO C[C@@H](c1ccsc1)[NH+]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000185455778 495584436 /nfs/dbraw/zinc/58/44/36/495584436.db2.gz ANAPQJOWTAOKPX-KRWDZBQOSA-N 1 1 374.554 3.112 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000150758899 495624124 /nfs/dbraw/zinc/62/41/24/495624124.db2.gz LKOAJVCMEOVVNP-GOSISDBHSA-N 1 1 374.485 3.270 20 30 FGEDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000185623990 495650931 /nfs/dbraw/zinc/65/09/31/495650931.db2.gz MIENPOMEUDPXOR-UHFFFAOYSA-N 1 1 362.477 3.461 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1nccs1 ZINC000159159607 495673164 /nfs/dbraw/zinc/67/31/64/495673164.db2.gz UVLNTSUDAHUDQK-UHFFFAOYSA-N 1 1 374.535 3.458 20 30 FGEDMO C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720633 495697436 /nfs/dbraw/zinc/69/74/36/495697436.db2.gz ZFHKCLTXIXHMLF-RTBURBONSA-N 1 1 368.525 3.176 20 30 FGEDMO C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185752711 495711570 /nfs/dbraw/zinc/71/15/70/495711570.db2.gz QIAPNFYFYDKOOX-RYRKJORJSA-N 1 1 354.498 3.128 20 30 FGEDMO C[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000182891071 495744522 /nfs/dbraw/zinc/74/45/22/495744522.db2.gz RCXFUOTZBUFPLO-HNNXBMFYSA-N 1 1 365.502 3.480 20 30 FGEDMO C[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)[N@H+]1CCc2sccc2C1 ZINC000182891071 495744523 /nfs/dbraw/zinc/74/45/23/495744523.db2.gz RCXFUOTZBUFPLO-HNNXBMFYSA-N 1 1 365.502 3.480 20 30 FGEDMO N#Cc1c(NC(=O)C[NH2+][C@@H](CO)c2ccccc2)sc2c1CCCCC2 ZINC000182915757 495755747 /nfs/dbraw/zinc/75/57/47/495755747.db2.gz OFWFZIHTSYIPJF-KRWDZBQOSA-N 1 1 369.490 3.150 20 30 FGEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000179874237 495766282 /nfs/dbraw/zinc/76/62/82/495766282.db2.gz MTHUIEGPUHEJHN-FQEVSTJZSA-N 1 1 360.461 3.215 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000159652884 495778428 /nfs/dbraw/zinc/77/84/28/495778428.db2.gz RXDQQNUSHHCBOK-QFIPXVFZSA-N 1 1 361.445 3.061 20 30 FGEDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000159671590 495784912 /nfs/dbraw/zinc/78/49/12/495784912.db2.gz KLJNEORPZGVACL-VQIMIIECSA-N 1 1 363.461 3.223 20 30 FGEDMO Cn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(-c2ccc(C#N)cc2)n1 ZINC000179933446 495790435 /nfs/dbraw/zinc/79/04/35/495790435.db2.gz BWESSNLBNHOZMI-UHFFFAOYSA-N 1 1 361.405 3.499 20 30 FGEDMO Cn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(-c2ccc(C#N)cc2)n1 ZINC000179933446 495790440 /nfs/dbraw/zinc/79/04/40/495790440.db2.gz BWESSNLBNHOZMI-UHFFFAOYSA-N 1 1 361.405 3.499 20 30 FGEDMO C[NH+](C)CCCC1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182995192 495791501 /nfs/dbraw/zinc/79/15/01/495791501.db2.gz QMKIQCUIHCDAOH-OAQYLSRUSA-N 1 1 368.525 3.107 20 30 FGEDMO C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCC[C@H](C)C1 ZINC000171304792 495812995 /nfs/dbraw/zinc/81/29/95/495812995.db2.gz RTUAJZGHUCREBZ-IRXDYDNUSA-N 1 1 354.498 3.353 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000568913073 505806357 /nfs/dbraw/zinc/80/63/57/505806357.db2.gz ZFBUUSVMDCIPBI-QWFCFKBJSA-N 1 1 354.450 3.208 20 30 FGEDMO C=CCC[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccccc1 ZINC000180037890 495832512 /nfs/dbraw/zinc/83/25/12/495832512.db2.gz XRTQNOOHMVUQFD-MRXNPFEDSA-N 1 1 350.509 3.485 20 30 FGEDMO CC#CCC[NH+]1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000155181085 495864617 /nfs/dbraw/zinc/86/46/17/495864617.db2.gz JOAUXXJTYLRHLR-UHFFFAOYSA-N 1 1 369.469 3.132 20 30 FGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(CC(=O)Nc1cc(Cl)ccc1C#N)C2 ZINC000174234087 495874869 /nfs/dbraw/zinc/87/48/69/495874869.db2.gz OHEPHEZIPSMCNS-DLBZAZTESA-N 1 1 360.889 3.097 20 30 FGEDMO C[N@H+](CCCOc1ccc(F)cc1)[C@H]1CCN(c2sccc2C#N)C1=O 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351.450 3.160 20 30 FGEDMO CC[C@H]1CCCC[N@H+]1CCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180207119 495906458 /nfs/dbraw/zinc/90/64/58/495906458.db2.gz PMHQMWCZRNHFEV-FQEVSTJZSA-N 1 1 351.498 3.313 20 30 FGEDMO CC[C@H]1CCCCN1CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180207119 495906464 /nfs/dbraw/zinc/90/64/64/495906464.db2.gz PMHQMWCZRNHFEV-FQEVSTJZSA-N 1 1 351.498 3.313 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000177142165 495945122 /nfs/dbraw/zinc/94/51/22/495945122.db2.gz IGSZIRIPFXQBDT-OAQYLSRUSA-N 1 1 363.461 3.220 20 30 FGEDMO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000171610383 495946967 /nfs/dbraw/zinc/94/69/67/495946967.db2.gz WAMMABRYBRIEDH-NRFANRHFSA-N 1 1 363.461 3.231 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000151831129 495961493 /nfs/dbraw/zinc/96/14/93/495961493.db2.gz YEKKXRSDUXAKNR-HUUCEWRRSA-N 1 1 359.451 3.129 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)CC2(O)CCCC2)ccc1Cl ZINC000151986570 496014847 /nfs/dbraw/zinc/01/48/47/496014847.db2.gz YXKSIGRUDADNFL-UHFFFAOYSA-N 1 1 363.889 3.132 20 30 FGEDMO COc1ccc2cc(C[N@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)ccc2c1 ZINC000180585783 496055831 /nfs/dbraw/zinc/05/58/31/496055831.db2.gz JPPGVIGFTVSDLJ-INIZCTEOSA-N 1 1 373.460 3.221 20 30 FGEDMO N#C[C@@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000171836297 496057959 /nfs/dbraw/zinc/05/79/59/496057959.db2.gz JPWQJODJLAEDJH-MRXNPFEDSA-N 1 1 370.280 3.177 20 30 FGEDMO N#Cc1ccc(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000171884717 496075445 /nfs/dbraw/zinc/07/54/45/496075445.db2.gz BLGGBILBGCCIHV-FRIKZZABSA-N 1 1 359.473 3.413 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(CC#N)c1 ZINC000171942081 496101976 /nfs/dbraw/zinc/10/19/76/496101976.db2.gz IMZFWKLSMNOULN-NRFANRHFSA-N 1 1 362.477 3.274 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)cc1 ZINC000174788247 496106093 /nfs/dbraw/zinc/10/60/93/496106093.db2.gz OSSXONNWLXJNNZ-RBUKOAKNSA-N 1 1 370.497 3.081 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)NCc2cc(C#N)ccc2F)C[N@H+]1Cc1ccccc1 ZINC000152373611 496131436 /nfs/dbraw/zinc/13/14/36/496131436.db2.gz WETLCHBLDFXTMX-BEFAXECRSA-N 1 1 366.440 3.160 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)NCc2cc(C#N)ccc2F)C[N@H+]1Cc1ccccc1 ZINC000152373902 496131496 /nfs/dbraw/zinc/13/14/96/496131496.db2.gz WETLCHBLDFXTMX-HNAYVOBHSA-N 1 1 366.440 3.160 20 30 FGEDMO N#CCCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000172030880 496136163 /nfs/dbraw/zinc/13/61/63/496136163.db2.gz LNQXUEGBYSSXNJ-INIZCTEOSA-N 1 1 368.403 3.273 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000156049673 496142867 /nfs/dbraw/zinc/14/28/67/496142867.db2.gz SXIBMILJEHSCGZ-OALUTQOASA-N 1 1 350.418 3.200 20 30 FGEDMO C[C@H](O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000152552795 496186013 /nfs/dbraw/zinc/18/60/13/496186013.db2.gz WXSIDXBMCYNUNT-UONOGXRCSA-N 1 1 361.511 3.062 20 30 FGEDMO C[C@H](NC(=O)c1cccc(SCC#N)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000175254541 496309850 /nfs/dbraw/zinc/30/98/50/496309850.db2.gz JKYJIXHUAKDXLJ-INIZCTEOSA-N 1 1 373.522 3.066 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172474943 496311196 /nfs/dbraw/zinc/31/11/96/496311196.db2.gz ZLVBGUVZOMNUAX-UHFFFAOYSA-N 1 1 356.470 3.439 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCc1ccccn1 ZINC000153099923 496353014 /nfs/dbraw/zinc/35/30/14/496353014.db2.gz FBCKTQNFYUBEAM-CYBMUJFWSA-N 1 1 354.479 3.005 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCc1ccccn1 ZINC000153099923 496353020 /nfs/dbraw/zinc/35/30/20/496353020.db2.gz FBCKTQNFYUBEAM-CYBMUJFWSA-N 1 1 354.479 3.005 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000162531990 496368395 /nfs/dbraw/zinc/36/83/95/496368395.db2.gz PCUNPEOREMIYEC-UHFFFAOYSA-N 1 1 370.541 3.407 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000184537674 496429106 /nfs/dbraw/zinc/42/91/06/496429106.db2.gz NBAWMARFRGOGSL-LSDHHAIUSA-N 1 1 356.495 3.469 20 30 FGEDMO C=CC[NH+]1CCC(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000184561700 496439892 /nfs/dbraw/zinc/43/98/92/496439892.db2.gz CJVXMXAUVISLDD-NRFANRHFSA-N 1 1 372.557 3.093 20 30 FGEDMO C[C@@H](NC(=O)CSc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181546337 496440865 /nfs/dbraw/zinc/44/08/65/496440865.db2.gz JWJQBKAOEQOIJN-WBVHZDCISA-N 1 1 357.523 3.420 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000153471124 496465492 /nfs/dbraw/zinc/46/54/92/496465492.db2.gz IFUQNDSKCXIAKB-HKUYNNGSSA-N 1 1 370.493 3.349 20 30 FGEDMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000153585618 496507559 /nfs/dbraw/zinc/50/75/59/496507559.db2.gz ITROZSCFKFNFIL-IBGZPJMESA-N 1 1 354.454 3.015 20 30 FGEDMO C=C(C)[C@H]([NH2+]CC(=O)NCc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000187785715 496571373 /nfs/dbraw/zinc/57/13/73/496571373.db2.gz QLUPRNYEGNVCAB-FQEVSTJZSA-N 1 1 360.404 3.497 20 30 FGEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(F)c(F)c1 ZINC000187787803 496572599 /nfs/dbraw/zinc/57/25/99/496572599.db2.gz HIBRDEJMEIDNTL-NSHGMRRFSA-N 1 1 364.436 3.342 20 30 FGEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187789568 496572681 /nfs/dbraw/zinc/57/26/81/496572681.db2.gz JZICMDHCHQFLJY-NHYWBVRUSA-N 1 1 353.413 3.184 20 30 FGEDMO CN(CCC#N)c1ccc(CNc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000157984847 496601316 /nfs/dbraw/zinc/60/13/16/496601316.db2.gz PKXCYLICEKPURB-UHFFFAOYSA-N 1 1 364.493 3.481 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1ccco1 ZINC000185078972 496649350 /nfs/dbraw/zinc/64/93/50/496649350.db2.gz FCIUGISUNWFLRE-CABCVRRESA-N 1 1 373.478 3.183 20 30 FGEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000188010029 496650464 /nfs/dbraw/zinc/65/04/64/496650464.db2.gz SANOTQVMRCCXDG-HNAYVOBHSA-N 1 1 363.889 3.070 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000182092341 496666425 /nfs/dbraw/zinc/66/64/25/496666425.db2.gz WPJBFUKRENZMLQ-IBGZPJMESA-N 1 1 351.498 3.225 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+](CCCO)[C@@H]3CCc4ccccc43)o2)cc1 ZINC000173389562 496671261 /nfs/dbraw/zinc/67/12/61/496671261.db2.gz QNQSHCFQIDKNFP-HXUWFJFHSA-N 1 1 374.444 3.480 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+](CCCO)[C@@H]3CCc4ccccc43)o2)cc1 ZINC000173389562 496671269 /nfs/dbraw/zinc/67/12/69/496671269.db2.gz QNQSHCFQIDKNFP-HXUWFJFHSA-N 1 1 374.444 3.480 20 30 FGEDMO CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000569129175 505858880 /nfs/dbraw/zinc/85/88/80/505858880.db2.gz QEXQKADDSMYGSN-FQEVSTJZSA-N 1 1 351.450 3.266 20 30 FGEDMO CCCC[N@@H+](CCCO)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000182129896 496681701 /nfs/dbraw/zinc/68/17/01/496681701.db2.gz SFVJDKUGFNWFKJ-UHFFFAOYSA-N 1 1 363.527 3.312 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC(C#N)CC1 ZINC000173415922 496682381 /nfs/dbraw/zinc/68/23/81/496682381.db2.gz DWEQSNJVURAYMW-UHFFFAOYSA-N 1 1 366.465 3.357 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCC(C#N)CC1 ZINC000173415922 496682386 /nfs/dbraw/zinc/68/23/86/496682386.db2.gz DWEQSNJVURAYMW-UHFFFAOYSA-N 1 1 366.465 3.357 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)c2ccccc21 ZINC000571976028 505859588 /nfs/dbraw/zinc/85/95/88/505859588.db2.gz ISWBBNNQDCHREY-GOSISDBHSA-N 1 1 365.477 3.486 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)c2ccccc21 ZINC000571976028 505859591 /nfs/dbraw/zinc/85/95/91/505859591.db2.gz ISWBBNNQDCHREY-GOSISDBHSA-N 1 1 365.477 3.486 20 30 FGEDMO C=C(C)C[C@@H](C)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000185204693 496702525 /nfs/dbraw/zinc/70/25/25/496702525.db2.gz LHUSDOWUXPBYBD-HXUWFJFHSA-N 1 1 357.542 3.303 20 30 FGEDMO CN(C)C(=O)CC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000182236925 496717307 /nfs/dbraw/zinc/71/73/07/496717307.db2.gz OPYDQIGXKBTNBA-UHFFFAOYSA-N 1 1 364.287 3.011 20 30 FGEDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000246957086 496734816 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CC(C)[C@@]1(CO)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000365613707 498559183 /nfs/dbraw/zinc/55/91/83/498559183.db2.gz CBYJCHMIKXTBNE-NRFANRHFSA-N 1 1 352.482 3.304 20 30 FGEDMO N#CCc1cccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000365756476 498627659 /nfs/dbraw/zinc/62/76/59/498627659.db2.gz DHSCKLGXCHUAOU-YADHBBJMSA-N 1 1 359.473 3.347 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298007785 498635492 /nfs/dbraw/zinc/63/54/92/498635492.db2.gz DPTUXKIMEQKKFP-IHPCNDPISA-N 1 1 369.513 3.160 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@H+]1C ZINC000287174533 498660133 /nfs/dbraw/zinc/66/01/33/498660133.db2.gz JTJPTHDWFDJXJX-BXUZGUMPSA-N 1 1 365.275 3.267 20 30 FGEDMO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000572880006 506074478 /nfs/dbraw/zinc/07/44/78/506074478.db2.gz HDCJHQJSRCZMPW-GASCZTMLSA-N 1 1 374.428 3.385 20 30 FGEDMO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000572880006 506074482 /nfs/dbraw/zinc/07/44/82/506074482.db2.gz HDCJHQJSRCZMPW-GASCZTMLSA-N 1 1 374.428 3.385 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1C ZINC000332517546 498709462 /nfs/dbraw/zinc/70/94/62/498709462.db2.gz XSODXAXYTLUDQV-QUCCMNQESA-N 1 1 368.525 3.109 20 30 FGEDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000363227061 498713850 /nfs/dbraw/zinc/71/38/50/498713850.db2.gz CRYWBBSBHQHCIH-AEFFLSMTSA-N 1 1 366.465 3.337 20 30 FGEDMO CCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000303861538 498723267 /nfs/dbraw/zinc/72/32/67/498723267.db2.gz PQBKVLRRZQEKBG-SXLOBPIMSA-N 1 1 360.498 3.214 20 30 FGEDMO C=CCOCCCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000363279358 498742766 /nfs/dbraw/zinc/74/27/66/498742766.db2.gz YYYZACMEQMJJOA-LPHOPBHVSA-N 1 1 350.890 3.432 20 30 FGEDMO N#Cc1ccc(CN2CCC([NH2+]Cc3cc(F)cnc3Cl)CC2)cc1 ZINC000294684064 498772528 /nfs/dbraw/zinc/77/25/28/498772528.db2.gz BJMOVLNJROSZQU-UHFFFAOYSA-N 1 1 358.848 3.500 20 30 FGEDMO C#CCC(CC#C)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000287627877 498818718 /nfs/dbraw/zinc/81/87/18/498818718.db2.gz INGZPERKJMKNBM-UHFFFAOYSA-N 1 1 365.477 3.021 20 30 FGEDMO C[NH+]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000298733525 498864367 /nfs/dbraw/zinc/86/43/67/498864367.db2.gz STSODGSBJONXKA-UHFFFAOYSA-N 1 1 364.449 3.111 20 30 FGEDMO O=C(Nc1nc(CN2CCCCC2)cs1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328652818 498890206 /nfs/dbraw/zinc/89/02/06/498890206.db2.gz KQMJIYPUQSYJBR-HZPDHXFCSA-N 1 1 363.531 3.082 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)C2)[nH]n1 ZINC000328703454 498907251 /nfs/dbraw/zinc/90/72/51/498907251.db2.gz OFGAZULYXGULBU-FGTMMUONSA-N 1 1 373.545 3.465 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)[C@H]3CCC[N@@H+](C4CCC4)C3)C2)n[nH]1 ZINC000328703454 498907256 /nfs/dbraw/zinc/90/72/56/498907256.db2.gz OFGAZULYXGULBU-FGTMMUONSA-N 1 1 373.545 3.465 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)C2)n[nH]1 ZINC000328703454 498907263 /nfs/dbraw/zinc/90/72/63/498907263.db2.gz OFGAZULYXGULBU-FGTMMUONSA-N 1 1 373.545 3.465 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3nnc(C(C)C)n3c2)C[C@@H]1C ZINC000328745332 498924202 /nfs/dbraw/zinc/92/42/02/498924202.db2.gz OJJTWKKTSHEYAK-GOEBONIOSA-N 1 1 358.490 3.203 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)[C@@H]1c1cccs1 ZINC000328830905 498954337 /nfs/dbraw/zinc/95/43/37/498954337.db2.gz KCDQVNPWOPACJE-JOCBIADPSA-N 1 1 363.527 3.202 20 30 FGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000328937630 498991960 /nfs/dbraw/zinc/99/19/60/498991960.db2.gz JVBOFVPVOPDVLA-HTBDUDNFSA-N 1 1 362.518 3.211 20 30 FGEDMO C[C@@H]1[C@@H](NC(=O)Nc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000288336144 498997980 /nfs/dbraw/zinc/99/79/80/498997980.db2.gz ZWVABXOBGKWFLM-UZLBHIALSA-N 1 1 364.449 3.373 20 30 FGEDMO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000328980145 499005580 /nfs/dbraw/zinc/00/55/80/499005580.db2.gz DFFRRERUGCQJSV-QQABJKMWSA-N 1 1 371.529 3.403 20 30 FGEDMO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000328980145 499005582 /nfs/dbraw/zinc/00/55/82/499005582.db2.gz DFFRRERUGCQJSV-QQABJKMWSA-N 1 1 371.529 3.403 20 30 FGEDMO Cc1noc([C@@H]2CCC[N@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)n1 ZINC000328986050 499007898 /nfs/dbraw/zinc/00/78/98/499007898.db2.gz GWZSJWOJAORBKB-ZBFHGGJFSA-N 1 1 356.426 3.038 20 30 FGEDMO Cc1noc([C@@H]2CCC[N@@H+](CC(=O)N[C@H]3CCOc4ccccc43)C2)n1 ZINC000328986050 499007901 /nfs/dbraw/zinc/00/79/01/499007901.db2.gz GWZSJWOJAORBKB-ZBFHGGJFSA-N 1 1 356.426 3.038 20 30 FGEDMO C[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)OCCCO3)[C@H](c2ccccc2)C1 ZINC000329013006 499014502 /nfs/dbraw/zinc/01/45/02/499014502.db2.gz IXPCIWPAYHKJJM-ROUUACIJSA-N 1 1 352.434 3.250 20 30 FGEDMO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)C2 ZINC000329068086 499031774 /nfs/dbraw/zinc/03/17/74/499031774.db2.gz MGUKIDIGBUPABT-UHFFFAOYSA-N 1 1 360.454 3.327 20 30 FGEDMO CCOC1CC2(C1)CC[N@@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)C2 ZINC000329068086 499031781 /nfs/dbraw/zinc/03/17/81/499031781.db2.gz MGUKIDIGBUPABT-UHFFFAOYSA-N 1 1 360.454 3.327 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3ccn(C)c(=O)c3c2)C1 ZINC000329115827 499046539 /nfs/dbraw/zinc/04/65/39/499046539.db2.gz IJCPGHKZACSWCY-OAHLLOKOSA-N 1 1 370.497 3.375 20 30 FGEDMO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CCC[N@H+]1C ZINC000329154305 499057126 /nfs/dbraw/zinc/05/71/26/499057126.db2.gz BHXSBSCAHGRZSO-PWIZWCRZSA-N 1 1 373.545 3.167 20 30 FGEDMO Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCN1C ZINC000329154305 499057133 /nfs/dbraw/zinc/05/71/33/499057133.db2.gz BHXSBSCAHGRZSO-PWIZWCRZSA-N 1 1 373.545 3.167 20 30 FGEDMO C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000329155746 499058341 /nfs/dbraw/zinc/05/83/41/499058341.db2.gz AWBZXSPCPDIIMJ-RRCSTGOVSA-N 1 1 359.445 3.378 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000295603964 499061384 /nfs/dbraw/zinc/06/13/84/499061384.db2.gz XMUINHKZWQAOMN-HKUYNNGSSA-N 1 1 357.498 3.113 20 30 FGEDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000329193544 499068645 /nfs/dbraw/zinc/06/86/45/499068645.db2.gz UEOVLZSFLUNDIV-YJBOKZPZSA-N 1 1 359.445 3.152 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CC[N@H+](C)C[C@@H]1C ZINC000329213185 499073923 /nfs/dbraw/zinc/07/39/23/499073923.db2.gz JAGXDZCACLSSMH-HNNXBMFYSA-N 1 1 355.486 3.103 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1C ZINC000329213185 499073927 /nfs/dbraw/zinc/07/39/27/499073927.db2.gz JAGXDZCACLSSMH-HNNXBMFYSA-N 1 1 355.486 3.103 20 30 FGEDMO CC(=O)NC1CCC(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000329281418 499090323 /nfs/dbraw/zinc/09/03/23/499090323.db2.gz DZTSJIIEYUOPIH-UHFFFAOYSA-N 1 1 350.507 3.138 20 30 FGEDMO C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)C1=CC[N@@H+](C)CC1 ZINC000329312487 499097132 /nfs/dbraw/zinc/09/71/32/499097132.db2.gz GNIOMBMCQCNCRT-KSSFIOAISA-N 1 1 357.454 3.409 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000329337453 499102675 /nfs/dbraw/zinc/10/26/75/499102675.db2.gz PVOMMXSLQFZDLU-WCIQWLHISA-N 1 1 365.562 3.426 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000329401250 499115630 /nfs/dbraw/zinc/11/56/30/499115630.db2.gz WCJNWBUQWCIYQH-UHFFFAOYSA-N 1 1 369.509 3.255 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)C[C@H]1C ZINC000329434040 499121162 /nfs/dbraw/zinc/12/11/62/499121162.db2.gz LBCLEUIRYHZQRN-MNOVXSKESA-N 1 1 366.849 3.280 20 30 FGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)CC1(C#N)CCCC1 ZINC000329446877 499122772 /nfs/dbraw/zinc/12/27/72/499122772.db2.gz CRPURYBWRSFKEF-MJGOQNOKSA-N 1 1 373.522 3.017 20 30 FGEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)C[C@H]1C ZINC000329459040 499124418 /nfs/dbraw/zinc/12/44/18/499124418.db2.gz ORRSWOQLXOHKNV-KGLIPLIRSA-N 1 1 366.531 3.123 20 30 FGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)C[C@H]1C ZINC000329459040 499124419 /nfs/dbraw/zinc/12/44/19/499124419.db2.gz ORRSWOQLXOHKNV-KGLIPLIRSA-N 1 1 366.531 3.123 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(OCc4cscn4)c3)[C@H]2C1 ZINC000329461714 499124591 /nfs/dbraw/zinc/12/45/91/499124591.db2.gz SUUNQMUKQXNPOZ-KDOFPFPSSA-N 1 1 372.494 3.294 20 30 FGEDMO COc1cc([C@H]2CCC[N@H+]2CCCSCC#N)cc(OC)c1OC ZINC000369838655 499136185 /nfs/dbraw/zinc/13/61/85/499136185.db2.gz YKGRJYRSZXLMRC-OAHLLOKOSA-N 1 1 350.484 3.496 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@]2(C1)CCCOC2)c1cccc(Cl)c1 ZINC000367047059 499139108 /nfs/dbraw/zinc/13/91/08/499139108.db2.gz DESNTRIWAVTRTM-IBGZPJMESA-N 1 1 361.873 3.089 20 30 FGEDMO Cc1cccc(NC[C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)n1 ZINC000369901872 499148360 /nfs/dbraw/zinc/14/83/60/499148360.db2.gz ZRWWPNVAOKJXHQ-MRXNPFEDSA-N 1 1 369.494 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C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469581317 502469502 /nfs/dbraw/zinc/46/95/02/502469502.db2.gz VMOBIBYGVHBEBX-KXBFYZLASA-N 1 1 350.466 3.158 20 30 FGEDMO CCC[N@@H+](CC)CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000472921399 502472321 /nfs/dbraw/zinc/47/23/21/502472321.db2.gz GGVSQHDPJUSFRY-UHFFFAOYSA-N 1 1 355.404 3.088 20 30 FGEDMO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000469847062 502566931 /nfs/dbraw/zinc/56/69/31/502566931.db2.gz SBFXKTAVNOHZSC-LJQANCHMSA-N 1 1 365.502 3.214 20 30 FGEDMO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000469847062 502566932 /nfs/dbraw/zinc/56/69/32/502566932.db2.gz SBFXKTAVNOHZSC-LJQANCHMSA-N 1 1 365.502 3.214 20 30 FGEDMO CC(C)c1cc(N2CCN(c3ccc(C#N)cc3F)CC2)nc(N(C)C)[nH+]1 ZINC000462807136 502582398 /nfs/dbraw/zinc/58/23/98/502582398.db2.gz WLJHBYVVKMMMFJ-UHFFFAOYSA-N 1 1 368.460 3.003 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470028779 502634467 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C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000484682414 502707668 /nfs/dbraw/zinc/70/76/68/502707668.db2.gz UTXGNDAOBJUOAM-ZDUSSCGKSA-N 1 1 355.276 3.219 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C#N)cc1F ZINC000488485457 502728372 /nfs/dbraw/zinc/72/83/72/502728372.db2.gz YLLPEIKKIFBRRX-XOBRGWDASA-N 1 1 362.408 3.021 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467042187 502767486 /nfs/dbraw/zinc/76/74/86/502767486.db2.gz ZZFPSMPSEBKTIW-UWVAXJGDSA-N 1 1 363.461 3.105 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000467130328 502796375 /nfs/dbraw/zinc/79/63/75/502796375.db2.gz GUWWEBNCRJRBGI-HOTGVXAUSA-N 1 1 361.511 3.378 20 30 FGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463432500 502799026 /nfs/dbraw/zinc/79/90/26/502799026.db2.gz UPALKTHZHMCGAO-JOCHJYFZSA-N 1 1 350.462 3.384 20 30 FGEDMO C[C@H](C#N)CN(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500691866 502840912 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20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 ZINC000505963547 503021863 /nfs/dbraw/zinc/02/18/63/503021863.db2.gz BTNSHIITYMBXHJ-NRFANRHFSA-N 1 1 373.497 3.016 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489805567 503039940 /nfs/dbraw/zinc/03/99/40/503039940.db2.gz HXBRZJVCINUSFR-AWEZNQCLSA-N 1 1 372.435 3.043 20 30 FGEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000497837456 503051258 /nfs/dbraw/zinc/05/12/58/503051258.db2.gz TVGAGIQUEVFZQK-QGZVFWFLSA-N 1 1 363.502 3.124 20 30 FGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000506501238 503127341 /nfs/dbraw/zinc/12/73/41/503127341.db2.gz UZTFICKXDAQJOP-GOSISDBHSA-N 1 1 365.481 3.047 20 30 FGEDMO C[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000490340380 503157672 /nfs/dbraw/zinc/15/76/72/503157672.db2.gz MYISZDWNOCHJHZ-ZBFHGGJFSA-N 1 1 355.413 3.358 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510749165 503184883 /nfs/dbraw/zinc/18/48/83/503184883.db2.gz FLRWETTUQUCILR-IRXDYDNUSA-N 1 1 374.529 3.453 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510749165 503184885 /nfs/dbraw/zinc/18/48/85/503184885.db2.gz FLRWETTUQUCILR-IRXDYDNUSA-N 1 1 374.529 3.453 20 30 FGEDMO COc1ccccc1N1CC[C@@H]([N@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000502530921 503218648 /nfs/dbraw/zinc/21/86/48/503218648.db2.gz SZLVJOCFQFEHOG-OAQYLSRUSA-N 1 1 373.456 3.461 20 30 FGEDMO COc1ccccc1N1CC[C@@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000502530921 503218650 /nfs/dbraw/zinc/21/86/50/503218650.db2.gz SZLVJOCFQFEHOG-OAQYLSRUSA-N 1 1 373.456 3.461 20 30 FGEDMO CN(Cc1ccccc1F)C(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529159 503218922 /nfs/dbraw/zinc/21/89/22/503218922.db2.gz NCGMAOOXVUFKFD-UHFFFAOYSA-N 1 1 363.436 3.445 20 30 FGEDMO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502529159 503218927 /nfs/dbraw/zinc/21/89/27/503218927.db2.gz NCGMAOOXVUFKFD-UHFFFAOYSA-N 1 1 363.436 3.445 20 30 FGEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)COC(C)C ZINC000502669580 503248315 /nfs/dbraw/zinc/24/83/15/503248315.db2.gz NFTFTNGGZDKYNA-HNNXBMFYSA-N 1 1 360.267 3.362 20 30 FGEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COC(C)C ZINC000502669580 503248317 /nfs/dbraw/zinc/24/83/17/503248317.db2.gz NFTFTNGGZDKYNA-HNNXBMFYSA-N 1 1 360.267 3.362 20 30 FGEDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000498737245 503253060 /nfs/dbraw/zinc/25/30/60/503253060.db2.gz NCCCSAQOEZLBIG-KRWDZBQOSA-N 1 1 363.461 3.303 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000491399941 503304451 /nfs/dbraw/zinc/30/44/51/503304451.db2.gz YQHUVQGHUJCTLF-OAHLLOKOSA-N 1 1 362.420 3.336 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)N[C@H](C)Cc1c(F)cccc1F ZINC000491399941 503304452 /nfs/dbraw/zinc/30/44/52/503304452.db2.gz YQHUVQGHUJCTLF-OAHLLOKOSA-N 1 1 362.420 3.336 20 30 FGEDMO CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502940894 503311865 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COc1cc(C#N)ccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000589006338 506409935 /nfs/dbraw/zinc/40/99/35/506409935.db2.gz CLLNBYSAPDNCBV-CRAIPNDOSA-N 1 1 364.449 3.351 20 30 FGEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1)CCC2 ZINC000599330471 506414420 /nfs/dbraw/zinc/41/44/20/506414420.db2.gz ADANPYOZQAOGNJ-ZBFHGGJFSA-N 1 1 363.527 3.086 20 30 FGEDMO Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1C#N ZINC000599357975 506426354 /nfs/dbraw/zinc/42/63/54/506426354.db2.gz ZWEIJOMFPVIIMU-FQEVSTJZSA-N 1 1 369.490 3.273 20 30 FGEDMO Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1C#N ZINC000599357975 506426358 /nfs/dbraw/zinc/42/63/58/506426358.db2.gz ZWEIJOMFPVIIMU-FQEVSTJZSA-N 1 1 369.490 3.273 20 30 FGEDMO C=CCn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000582814532 506431564 /nfs/dbraw/zinc/43/15/64/506431564.db2.gz XXGRZTSSZBVOBX-IBGZPJMESA-N 1 1 351.498 3.036 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000599415318 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CCCC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589495848 506569323 /nfs/dbraw/zinc/56/93/23/506569323.db2.gz FBLHTRHHWUYOEB-UHFFFAOYSA-N 1 1 353.388 3.458 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)C[N@H+]1Cc1ccccc1 ZINC000593374843 506582985 /nfs/dbraw/zinc/58/29/85/506582985.db2.gz LTPJFBUNKAEYSK-OXQOHEQNSA-N 1 1 360.461 3.246 20 30 FGEDMO C/C=C/C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000599690655 506584243 /nfs/dbraw/zinc/58/42/43/506584243.db2.gz OKYSCRPDAXHAAU-RCAFFNEUSA-N 1 1 363.465 3.361 20 30 FGEDMO C/C=C/C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000599690655 506584249 /nfs/dbraw/zinc/58/42/49/506584249.db2.gz OKYSCRPDAXHAAU-RCAFFNEUSA-N 1 1 363.465 3.361 20 30 FGEDMO COC(=O)C1C[C@H](C)[NH+](Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000599699746 506589656 /nfs/dbraw/zinc/58/96/56/506589656.db2.gz YXGHECHNKQHDMP-RYUDHWBXSA-N 1 1 365.271 3.483 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000593386827 506590578 /nfs/dbraw/zinc/59/05/78/506590578.db2.gz SISFSOPJBQXMLT-DLBZAZTESA-N 1 1 360.889 3.468 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000593386827 506590585 /nfs/dbraw/zinc/59/05/85/506590585.db2.gz SISFSOPJBQXMLT-DLBZAZTESA-N 1 1 360.889 3.468 20 30 FGEDMO CC[C@H](C#N)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000593412943 506607111 /nfs/dbraw/zinc/60/71/11/506607111.db2.gz MQRGFEGMBRMLEC-CQSZACIVSA-N 1 1 353.388 3.336 20 30 FGEDMO COCC[N@H+](Cc1ccc(C)cc1C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000603895219 506651744 /nfs/dbraw/zinc/65/17/44/506651744.db2.gz YUBZCWDTXPBDIW-OAQYLSRUSA-N 1 1 368.477 3.063 20 30 FGEDMO C[N@H+]1CCN(c2ncc(Br)cc2C#N)[C@@H](Cc2ccccc2)C1 ZINC000593505601 506658746 /nfs/dbraw/zinc/65/87/46/506658746.db2.gz YDMUFSPGRAAVES-KRWDZBQOSA-N 1 1 371.282 3.079 20 30 FGEDMO C[N@@H+](C[C@@H](O)COc1ccccc1Oc1ccc(C#N)cc1F)C1CC1 ZINC000583236760 506666219 /nfs/dbraw/zinc/66/62/19/506666219.db2.gz XFVUQCMPXLFXTA-MRXNPFEDSA-N 1 1 356.397 3.324 20 30 FGEDMO C[C@@H]([NH2+]C(C)(C)CNC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258165 506681710 /nfs/dbraw/zinc/68/17/10/506681710.db2.gz KQQLWPQGWVHKQA-YLJYHZDGSA-N 1 1 367.493 3.017 20 30 FGEDMO C[N@@H+](Cc1ccc2nc(NC(=O)N3CC[C@@](F)(C#N)C3)sc2c1)C1CC1 ZINC000596999157 506723412 /nfs/dbraw/zinc/72/34/12/506723412.db2.gz PXRHFEBCPVMXAB-GOSISDBHSA-N 1 1 373.457 3.360 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@H]1C1CC1 ZINC000593696538 506736070 /nfs/dbraw/zinc/73/60/70/506736070.db2.gz GPVDLVSRHOFWLF-ZWKOTPCHSA-N 1 1 372.465 3.009 20 30 FGEDMO C[N@H+]1C[C@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@@H](c2ccccc2)C1 ZINC000600018103 506747093 /nfs/dbraw/zinc/74/70/93/506747093.db2.gz OVROHOOREJYIQE-FSSWDIPSSA-N 1 1 359.473 3.397 20 30 FGEDMO COC(=O)c1coc([C@@H](C)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593720497 506747131 /nfs/dbraw/zinc/74/71/31/506747131.db2.gz GEFBGIUTRWKYBH-OAHLLOKOSA-N 1 1 367.449 3.253 20 30 FGEDMO N#Cc1ccccc1-c1ccccc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000600072498 506765562 /nfs/dbraw/zinc/76/55/62/506765562.db2.gz VYMWYBWTNHKZDV-UHFFFAOYSA-N 1 1 351.425 3.343 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609108545 506777564 /nfs/dbraw/zinc/77/75/64/506777564.db2.gz HKEOMHJMTPPVNI-GHTZIAJQSA-N 1 1 368.525 3.155 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000609157496 506798202 /nfs/dbraw/zinc/79/82/02/506798202.db2.gz WQVFBSHUCOFLIJ-IBGZPJMESA-N 1 1 365.481 3.084 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000609157496 506798205 /nfs/dbraw/zinc/79/82/05/506798205.db2.gz WQVFBSHUCOFLIJ-IBGZPJMESA-N 1 1 365.481 3.084 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000597176751 506814443 /nfs/dbraw/zinc/81/44/43/506814443.db2.gz VXZKGWWWQODVID-IBGZPJMESA-N 1 1 373.460 3.251 20 30 FGEDMO N#Cc1sccc1N1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000597183061 506820649 /nfs/dbraw/zinc/82/06/49/506820649.db2.gz IXKZIQCSKNGFLO-GOSISDBHSA-N 1 1 369.490 3.110 20 30 FGEDMO N#Cc1cccc2c1CN(C(=O)[C@H]1CCC[N@H+](Cc3cccc(F)c3)C1)C2 ZINC000593890186 506822196 /nfs/dbraw/zinc/82/21/96/506822196.db2.gz ANXCWDVZZGZGSU-IBGZPJMESA-N 1 1 363.436 3.452 20 30 FGEDMO N#CCCn1cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c(-c2ccccc2)n1 ZINC000597205659 506833613 /nfs/dbraw/zinc/83/36/13/506833613.db2.gz NUVLMEAGRMPOGB-NRFANRHFSA-N 1 1 350.466 3.201 20 30 FGEDMO N#Cc1ccc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000593941910 506838617 /nfs/dbraw/zinc/83/86/17/506838617.db2.gz PPNIMDFTSKXOOD-UHFFFAOYSA-N 1 1 360.383 3.290 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000604492934 506849814 /nfs/dbraw/zinc/84/98/14/506849814.db2.gz ANKQIDKIPZFQOM-UHFFFAOYSA-N 1 1 351.450 3.095 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520706 506858624 /nfs/dbraw/zinc/85/86/24/506858624.db2.gz FMKUOOKVHQXHCP-JBACZVJFSA-N 1 1 357.498 3.141 20 30 FGEDMO CC(C)[N@@H+](C)C[C@@H](O)CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000590602298 506875140 /nfs/dbraw/zinc/87/51/40/506875140.db2.gz HJECUNCOSIEUBQ-JOCHJYFZSA-N 1 1 369.484 3.401 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCc1c(Cl)cccc1Cl ZINC000590709572 506919159 /nfs/dbraw/zinc/91/91/59/506919159.db2.gz MUUTVQGTBAPIJG-UHFFFAOYSA-N 1 1 352.269 3.108 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000609554476 506921281 /nfs/dbraw/zinc/92/12/81/506921281.db2.gz QCHLDKBRFKASFI-OAHLLOKOSA-N 1 1 352.438 3.209 20 30 FGEDMO N#C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1 ZINC000609589603 506934245 /nfs/dbraw/zinc/93/42/45/506934245.db2.gz SSIBJYWKNHGQJD-MJGOQNOKSA-N 1 1 368.868 3.328 20 30 FGEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000583721439 506934831 /nfs/dbraw/zinc/93/48/31/506934831.db2.gz YRSZAZYDHPTZDL-VQIMIIECSA-N 1 1 364.497 3.169 20 30 FGEDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)NC4(c5cccc(C#N)c5)CC4)cc3c2C1 ZINC000597425448 506946590 /nfs/dbraw/zinc/94/65/90/506946590.db2.gz UQTHSUOGSROZOD-UHFFFAOYSA-N 1 1 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Cc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(C#N)c(C)c1Cl ZINC001164722124 720337668 /nfs/dbraw/zinc/33/76/68/720337668.db2.gz FBKLRLQBGQIFQO-ZWKOTPCHSA-N 1 1 367.884 3.472 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661958344 720349807 /nfs/dbraw/zinc/34/98/07/720349807.db2.gz KRZTWZIJSRYFQQ-INIZCTEOSA-N 1 1 360.523 3.486 20 30 FGEDMO C=C[C@H](CO)[NH2+]Cc1cccc(OCC(F)(F)F)c1Br ZINC000662168811 720386959 /nfs/dbraw/zinc/38/69/59/720386959.db2.gz VYJKWZQPOBMPOJ-SNVBAGLBSA-N 1 1 354.166 3.027 20 30 FGEDMO N#Cc1c2c(cnc1N1CC[C@H]3[C@H]1CC[N@H+]3Cc1cccnc1)CCCC2 ZINC001164724810 720481715 /nfs/dbraw/zinc/48/17/15/720481715.db2.gz HWCGVUZXCRWWHJ-LEWJYISDSA-N 1 1 359.477 3.080 20 30 FGEDMO C=CCn1c(SCCc2c[nH+]cn2C)nc2sc3c(c2c1=O)CCC3 ZINC000665685579 720802200 /nfs/dbraw/zinc/80/22/00/720802200.db2.gz YSZPRRMTLUWVQL-UHFFFAOYSA-N 1 1 372.519 3.201 20 30 FGEDMO N#CC1(c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2)CCC1 ZINC001164783424 721409901 /nfs/dbraw/zinc/40/99/01/721409901.db2.gz IGOIRNLBPYJTGE-IYBDPMFKSA-N 1 1 365.506 3.052 20 30 FGEDMO N#CC1(c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2)CCC1 ZINC001164783424 721409902 /nfs/dbraw/zinc/40/99/02/721409902.db2.gz IGOIRNLBPYJTGE-IYBDPMFKSA-N 1 1 365.506 3.052 20 30 FGEDMO Cc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ccc1C#N ZINC001164910135 721758349 /nfs/dbraw/zinc/75/83/49/721758349.db2.gz OASDHISAGBFIDF-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO Cc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ccc1C#N ZINC001164910135 721758353 /nfs/dbraw/zinc/75/83/53/721758353.db2.gz OASDHISAGBFIDF-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO Cc1cc(C#N)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024499 721828371 /nfs/dbraw/zinc/82/83/71/721828371.db2.gz KJBUZBMKGYPASX-CEWLAPEOSA-N 1 1 361.493 3.394 20 30 FGEDMO C=CCCOCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000679327311 722022890 /nfs/dbraw/zinc/02/28/90/722022890.db2.gz HLPIIJKHVIGUKI-HKUYNNGSSA-N 1 1 352.425 3.198 20 30 FGEDMO C=CCCOCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000679327311 722022894 /nfs/dbraw/zinc/02/28/94/722022894.db2.gz HLPIIJKHVIGUKI-HKUYNNGSSA-N 1 1 352.425 3.198 20 30 FGEDMO CCCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000734264415 722505581 /nfs/dbraw/zinc/50/55/81/722505581.db2.gz VJHFHVOQZOYFOO-GOSISDBHSA-N 1 1 352.567 3.205 20 30 FGEDMO CCCCCCCCCNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000734264415 722505582 /nfs/dbraw/zinc/50/55/82/722505582.db2.gz VJHFHVOQZOYFOO-GOSISDBHSA-N 1 1 352.567 3.205 20 30 FGEDMO C[C@@H]1SCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1C ZINC000735673640 722518285 /nfs/dbraw/zinc/51/82/85/722518285.db2.gz FGOFUEGXGGIGFY-YDHLFZDLSA-N 1 1 352.463 3.049 20 30 FGEDMO C=C(Cl)CNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000736402350 722523088 /nfs/dbraw/zinc/52/30/88/722523088.db2.gz FVNRRSMGTNRPGK-AWEZNQCLSA-N 1 1 361.795 3.331 20 30 FGEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC(C)(C)CN1CCOCC1 ZINC000752089524 722845016 /nfs/dbraw/zinc/84/50/16/722845016.db2.gz YPMRVFFOGWWNNE-UHFFFAOYSA-N 1 1 365.905 3.033 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CC1 ZINC000754842207 722946808 /nfs/dbraw/zinc/94/68/08/722946808.db2.gz JMUBYIDWGZUDKL-UHFFFAOYSA-N 1 1 353.853 3.183 20 30 FGEDMO CCc1[nH+]c(C=NN(C)C(=S)NCc2ccccc2)c2ccccn21 ZINC000755522824 722954182 /nfs/dbraw/zinc/95/41/82/722954182.db2.gz AGMVDDXRSJHGAM-UHFFFAOYSA-N 1 1 351.479 3.237 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000756546713 722966611 /nfs/dbraw/zinc/96/66/11/722966611.db2.gz GELVLSMEYCATCM-MRXNPFEDSA-N 1 1 358.438 3.127 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000756546713 722966612 /nfs/dbraw/zinc/96/66/12/722966612.db2.gz GELVLSMEYCATCM-MRXNPFEDSA-N 1 1 358.438 3.127 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000756550118 722966656 /nfs/dbraw/zinc/96/66/56/722966656.db2.gz CHHYOXWCIZCNTM-MRXNPFEDSA-N 1 1 357.841 3.089 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000756550118 722966657 /nfs/dbraw/zinc/96/66/57/722966657.db2.gz CHHYOXWCIZCNTM-MRXNPFEDSA-N 1 1 357.841 3.089 20 30 FGEDMO Cc1nc2sccc2c(=O)n1N=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000757568167 722977074 /nfs/dbraw/zinc/97/70/74/722977074.db2.gz IVFGLCIYXXSWAG-ZDUSSCGKSA-N 1 1 352.463 3.265 20 30 FGEDMO Cc1nc2sccc2c(=O)n1N=C1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000757568167 722977075 /nfs/dbraw/zinc/97/70/75/722977075.db2.gz IVFGLCIYXXSWAG-ZDUSSCGKSA-N 1 1 352.463 3.265 20 30 FGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000791570147 723259470 /nfs/dbraw/zinc/25/94/70/723259470.db2.gz ZMDUQNJZKNCGMK-FQEVSTJZSA-N 1 1 359.491 3.202 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000791570147 723259473 /nfs/dbraw/zinc/25/94/73/723259473.db2.gz ZMDUQNJZKNCGMK-FQEVSTJZSA-N 1 1 359.491 3.202 20 30 FGEDMO C[C@@]12CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000792912952 723381533 /nfs/dbraw/zinc/38/15/33/723381533.db2.gz ZLEOLBOLDHYTAS-GOEBONIOSA-N 1 1 352.265 3.403 20 30 FGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000796619627 723646890 /nfs/dbraw/zinc/64/68/90/723646890.db2.gz KEQOOHYDCAZMAK-GOSISDBHSA-N 1 1 351.535 3.360 20 30 FGEDMO NC(=[NH+]OCCOc1ccc(F)cc1Cl)c1ccc2c(c1)CCO2 ZINC000769563320 723689833 /nfs/dbraw/zinc/68/98/33/723689833.db2.gz NBLCAWGWUYNUKW-UHFFFAOYSA-N 1 1 350.777 3.130 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)C[C@H](C)c2ccc(Br)cc2)CC1 ZINC000770275049 723710012 /nfs/dbraw/zinc/71/00/12/723710012.db2.gz JROCNJCBGTZDOE-HNNXBMFYSA-N 1 1 363.299 3.110 20 30 FGEDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000772797646 723768392 /nfs/dbraw/zinc/76/83/92/723768392.db2.gz HUWHETCVXZZLJO-MRXNPFEDSA-N 1 1 355.463 3.343 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544720 723941857 /nfs/dbraw/zinc/94/18/57/723941857.db2.gz RKICHIAQDPVJCI-WBAXXEDZSA-N 1 1 365.880 3.429 20 30 FGEDMO Clc1ccc2c(c1Cl)OCCCC2=NNCCC[NH+]1CCOCC1 ZINC000799489772 724034392 /nfs/dbraw/zinc/03/43/92/724034392.db2.gz BOVHGFVBAGRMGM-UHFFFAOYSA-N 1 1 372.296 3.182 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000778155598 724304439 /nfs/dbraw/zinc/30/44/39/724304439.db2.gz GETCAQQHYQPVJE-UHFFFAOYSA-N 1 1 352.825 3.223 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2c1 ZINC000801668184 724323147 /nfs/dbraw/zinc/32/31/47/724323147.db2.gz WPUPATZPRCBLNU-CABCVRRESA-N 1 1 356.857 3.343 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c2c1 ZINC000801668185 724323308 /nfs/dbraw/zinc/32/33/08/724323308.db2.gz WPUPATZPRCBLNU-GJZGRUSLSA-N 1 1 356.857 3.343 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785740692 724934552 /nfs/dbraw/zinc/93/45/52/724934552.db2.gz JNDAKIKJRITVCN-XHSDSOJGSA-N 1 1 364.511 3.067 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785740692 724934553 /nfs/dbraw/zinc/93/45/53/724934553.db2.gz JNDAKIKJRITVCN-XHSDSOJGSA-N 1 1 364.511 3.067 20 30 FGEDMO c1ccc(C[N@@H+]2CCC(N=Nc3nnc(-c4ccccn4)s3)C2)cc1 ZINC000788028409 725041973 /nfs/dbraw/zinc/04/19/73/725041973.db2.gz MOJRTVDQHNIGOP-UHFFFAOYSA-N 1 1 350.451 3.274 20 30 FGEDMO c1ccc(C[N@H+]2CCC(N=Nc3nnc(-c4ccccn4)s3)C2)cc1 ZINC000788028409 725041974 /nfs/dbraw/zinc/04/19/74/725041974.db2.gz MOJRTVDQHNIGOP-UHFFFAOYSA-N 1 1 350.451 3.274 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1ccc(Cl)cc1F ZINC000805198437 725055855 /nfs/dbraw/zinc/05/58/55/725055855.db2.gz PKHUOGOHXIXREP-RDTXWAMCSA-N 1 1 365.880 3.431 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3cccc(Br)n3)CC2)cc1 ZINC000809345657 725239467 /nfs/dbraw/zinc/23/94/67/725239467.db2.gz KNOXJFOASXDEBW-UHFFFAOYSA-N 1 1 371.282 3.428 20 30 FGEDMO C#Cc1ccc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000809573692 725248808 /nfs/dbraw/zinc/24/88/08/725248808.db2.gz VEGKCQIVIBPDLQ-OAQYLSRUSA-N 1 1 354.881 3.173 20 30 FGEDMO CON=CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000809757713 725265798 /nfs/dbraw/zinc/26/57/98/725265798.db2.gz RMDAZWPLBKVBNY-HOCLYGCPSA-N 1 1 355.841 3.141 20 30 FGEDMO CON=CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000809757713 725265800 /nfs/dbraw/zinc/26/58/00/725265800.db2.gz RMDAZWPLBKVBNY-HOCLYGCPSA-N 1 1 355.841 3.141 20 30 FGEDMO C#CCOc1cccc(Cl)c1CNCC1(SC)CC[NH+](C)CC1 ZINC000810170156 725294370 /nfs/dbraw/zinc/29/43/70/725294370.db2.gz HKSQMIOFYQLUEM-UHFFFAOYSA-N 1 1 352.931 3.269 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852510 726819106 /nfs/dbraw/zinc/81/91/06/726819106.db2.gz ZFMZDXHIHLCKCH-RDTXWAMCSA-N 1 1 357.479 3.392 20 30 FGEDMO Clc1ccccc1CC(=NNCCC[NH+]1CCOCC1)c1ccoc1 ZINC000814924279 727011394 /nfs/dbraw/zinc/01/13/94/727011394.db2.gz YICSOSZPZCNHQI-UHFFFAOYSA-N 1 1 361.873 3.192 20 30 FGEDMO Cc1nsc(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)c1C#N ZINC000815120050 727041182 /nfs/dbraw/zinc/04/11/82/727041182.db2.gz NCXBHBROHILYBX-UHFFFAOYSA-N 1 1 355.511 3.020 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000818588772 727315521 /nfs/dbraw/zinc/31/55/21/727315521.db2.gz GKOQKENUOXDRNU-UHFFFAOYSA-N 1 1 353.900 3.210 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@@H+]2CC[C@@H](C)C2)s1 ZINC000819341289 727369242 /nfs/dbraw/zinc/36/92/42/727369242.db2.gz GFZCGPFFFJCACT-LLVKDONJSA-N 1 1 373.975 3.297 20 30 FGEDMO C#C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1F ZINC000820744775 729024839 /nfs/dbraw/zinc/02/48/39/729024839.db2.gz JYRZDVBXHRYFPY-JEBQAFNWSA-N 1 1 363.864 3.279 20 30 FGEDMO C#C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1F ZINC000820750161 729025722 /nfs/dbraw/zinc/02/57/22/729025722.db2.gz LHEDFJSPXASICE-MJGOQNOKSA-N 1 1 363.864 3.281 20 30 FGEDMO N#CCCC[C@@H]([NH3+])c1nc(CC(=O)Nc2ccc(Cl)cc2Cl)no1 ZINC000823037976 729246480 /nfs/dbraw/zinc/24/64/80/729246480.db2.gz ZFGHNMCHRDSJES-LLVKDONJSA-N 1 1 368.224 3.251 20 30 FGEDMO N#CCCC[C@@H]([NH3+])c1nc(CC(=O)Nc2cc(Cl)cc(Cl)c2)no1 ZINC000823042019 729246827 /nfs/dbraw/zinc/24/68/27/729246827.db2.gz BMMHSRPUIFEXFB-GFCCVEGCSA-N 1 1 368.224 3.251 20 30 FGEDMO C=CCC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC ZINC000825117967 729371436 /nfs/dbraw/zinc/37/14/36/729371436.db2.gz NHTLJTGYSGDUDB-CVEARBPZSA-N 1 1 354.491 3.264 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2C2CC2)cc1C ZINC000831773001 729666841 /nfs/dbraw/zinc/66/68/41/729666841.db2.gz GCXOZASIPWUMSM-IBGZPJMESA-N 1 1 357.523 3.378 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2C2CC2)cc1C ZINC000831773001 729666842 /nfs/dbraw/zinc/66/68/42/729666842.db2.gz GCXOZASIPWUMSM-IBGZPJMESA-N 1 1 357.523 3.378 20 30 FGEDMO Fc1ccc2c(c1Br)CCC2=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000834967099 729848528 /nfs/dbraw/zinc/84/85/28/729848528.db2.gz XOHNVAGAWQDRCQ-ZIAGYGMSSA-N 1 1 365.250 3.099 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C2\COc3c(Cl)cc(Cl)cc3C2=O)n1C ZINC000840714117 730164808 /nfs/dbraw/zinc/16/48/08/730164808.db2.gz IOIJZQRANRUJJY-RUDMXATFSA-N 1 1 352.221 3.452 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C2\Cc3ccc(OC(F)(F)F)cc3C2=O)n1C ZINC000840716016 730165163 /nfs/dbraw/zinc/16/51/63/730165163.db2.gz FUKDQGWUKLOXRW-YRNVUSSQSA-N 1 1 351.328 3.207 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C2/COc3cc(Cl)cc(Cl)c3C2=O)n1C ZINC000840721465 730165960 /nfs/dbraw/zinc/16/59/60/730165960.db2.gz UEAGWTBXCFHJPO-WTKPLQERSA-N 1 1 352.221 3.452 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=S)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000840757159 730170189 /nfs/dbraw/zinc/17/01/89/730170189.db2.gz IXJZQPBTXYVEGV-UHFFFAOYSA-N 1 1 361.845 3.183 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC000845460530 730852302 /nfs/dbraw/zinc/85/23/02/730852302.db2.gz DZDQZGKFDTUIPI-HNNXBMFYSA-N 1 1 355.825 3.051 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC000845460530 730852306 /nfs/dbraw/zinc/85/23/06/730852306.db2.gz DZDQZGKFDTUIPI-HNNXBMFYSA-N 1 1 355.825 3.051 20 30 FGEDMO CCOc1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc(Cl)c1O ZINC000846008685 730918074 /nfs/dbraw/zinc/91/80/74/730918074.db2.gz WYVVEAGIYXHNDA-QGZVFWFLSA-N 1 1 360.841 3.481 20 30 FGEDMO C#C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000847024114 731008063 /nfs/dbraw/zinc/00/80/63/731008063.db2.gz PKSYNGGRFDICFN-GFCCVEGCSA-N 1 1 353.235 3.262 20 30 FGEDMO C[C@@H]1CC(N=Nc2ncc(Br)cn2)C[N@H+]1Cc1ccccc1 ZINC000848421388 731163117 /nfs/dbraw/zinc/16/31/17/731163117.db2.gz VVAHNTJUPHAMOT-GFCCVEGCSA-N 1 1 360.259 3.301 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930774 731222500 /nfs/dbraw/zinc/22/25/00/731222500.db2.gz WKBOJPTZNWENTB-QGZVFWFLSA-N 1 1 362.901 3.039 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930774 731222503 /nfs/dbraw/zinc/22/25/03/731222503.db2.gz WKBOJPTZNWENTB-QGZVFWFLSA-N 1 1 362.901 3.039 20 30 FGEDMO C#CCC[N@@H+](CCOC)CC(=O)Nc1ccc(Br)cc1Cl ZINC000852752222 731629959 /nfs/dbraw/zinc/62/99/59/731629959.db2.gz QOKMFLHASUWHKV-UHFFFAOYSA-N 1 1 373.678 3.013 20 30 FGEDMO C#CCC[N@H+](CCOC)CC(=O)Nc1ccc(Br)cc1Cl ZINC000852752222 731629960 /nfs/dbraw/zinc/62/99/60/731629960.db2.gz QOKMFLHASUWHKV-UHFFFAOYSA-N 1 1 373.678 3.013 20 30 FGEDMO C#CCC[N@@H+](CCOC)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000852751463 731630028 /nfs/dbraw/zinc/63/00/28/731630028.db2.gz DPYRMGTXTHDITI-UHFFFAOYSA-N 1 1 360.479 3.299 20 30 FGEDMO C#CCC[N@H+](CCOC)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000852751463 731630030 /nfs/dbraw/zinc/63/00/30/731630030.db2.gz DPYRMGTXTHDITI-UHFFFAOYSA-N 1 1 360.479 3.299 20 30 FGEDMO CCCCCCCCOCC(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000854567770 731841929 /nfs/dbraw/zinc/84/19/29/731841929.db2.gz AFGIAHRMTWNHDD-SFHVURJKSA-N 1 1 354.535 3.075 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)cc1OC ZINC000862338014 732811787 /nfs/dbraw/zinc/81/17/87/732811787.db2.gz GTDRNIYLIWCFAZ-TZMCWYRMSA-N 1 1 353.846 3.297 20 30 FGEDMO C[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1cccc(C#N)c1O ZINC000866233622 733327446 /nfs/dbraw/zinc/32/74/46/733327446.db2.gz XFNVRUURQLOALD-NSHDSACASA-N 1 1 351.328 3.451 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1sccc1CC#N ZINC000869802714 733776841 /nfs/dbraw/zinc/77/68/41/733776841.db2.gz WPTREVSZKXOXTM-CRAIPNDOSA-N 1 1 353.491 3.312 20 30 FGEDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000870784835 733888362 /nfs/dbraw/zinc/88/83/62/733888362.db2.gz KGCKWRQVNOMTLU-FZMZJTMJSA-N 1 1 355.360 3.392 20 30 FGEDMO C[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)[C@H]1CCC[C@H]1C#N ZINC000872683209 735660670 /nfs/dbraw/zinc/66/06/70/735660670.db2.gz CFSMCPBKLKOQJZ-WFASDCNBSA-N 1 1 360.255 3.346 20 30 FGEDMO COc1cc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc(OC)c1OC ZINC000876933038 736164718 /nfs/dbraw/zinc/16/47/18/736164718.db2.gz CSQKTQYTXDVFND-LLVKDONJSA-N 1 1 361.829 3.483 20 30 FGEDMO N#Cc1cnc(Cl)c(CNC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000876945632 736166388 /nfs/dbraw/zinc/16/63/88/736166388.db2.gz HBJBAWWLCCUKHO-UHFFFAOYSA-N 1 1 358.848 3.500 20 30 FGEDMO COC(=O)c1ccc(C[NH+]2CCC(CC#N)CC2)cc1Br ZINC000877191114 736197107 /nfs/dbraw/zinc/19/71/07/736197107.db2.gz IOBGOHPKXQMSIL-UHFFFAOYSA-N 1 1 351.244 3.361 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1C ZINC000879555962 737006105 /nfs/dbraw/zinc/00/61/05/737006105.db2.gz BUMVQQOBXSDCPV-ROUUACIJSA-N 1 1 357.523 3.235 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@@H]3CSC[C@@H]3C1)CCC2 ZINC000879561441 737006565 /nfs/dbraw/zinc/00/65/65/737006565.db2.gz OQGFJNSACHRFPU-OLZOCXBDSA-N 1 1 361.536 3.122 20 30 FGEDMO CC(C)(C)OC(=O)NC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1C(F)(F)F ZINC000880027745 737103047 /nfs/dbraw/zinc/10/30/47/737103047.db2.gz WWKZHVPGVSMABK-SYQHCUMBSA-N 1 1 361.408 3.314 20 30 FGEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](CO)c1ccccc1 ZINC000880461282 737176595 /nfs/dbraw/zinc/17/65/95/737176595.db2.gz IBPFHUFANQDURY-GOSISDBHSA-N 1 1 357.841 3.206 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](CO)c1ccccc1 ZINC000880461282 737176599 /nfs/dbraw/zinc/17/65/99/737176599.db2.gz IBPFHUFANQDURY-GOSISDBHSA-N 1 1 357.841 3.206 20 30 FGEDMO C#CCC1(O)CC[NH+](Cc2c(C(=O)OC)sc3cccc(F)c32)CC1 ZINC000880478012 737178935 /nfs/dbraw/zinc/17/89/35/737178935.db2.gz QICQCATUHBUIKG-UHFFFAOYSA-N 1 1 361.438 3.177 20 30 FGEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193974 739228413 /nfs/dbraw/zinc/22/84/13/739228413.db2.gz GLBCJKHUXYMTIY-ROUUACIJSA-N 1 1 361.555 3.255 20 30 FGEDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193974 739228417 /nfs/dbraw/zinc/22/84/17/739228417.db2.gz GLBCJKHUXYMTIY-ROUUACIJSA-N 1 1 361.555 3.255 20 30 FGEDMO C#CC[C@H]1CC[N@H+](Cc2csc(CC(=O)Nc3ccccc3C)n2)C1 ZINC000886361430 739249610 /nfs/dbraw/zinc/24/96/10/739249610.db2.gz HQEAJOPNJQDGGT-INIZCTEOSA-N 1 1 353.491 3.478 20 30 FGEDMO N#Cc1cc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000895152022 742382142 /nfs/dbraw/zinc/38/21/42/742382142.db2.gz KXONCBSSPNXXKY-VQTJNVASSA-N 1 1 353.491 3.095 20 30 FGEDMO C=C(Cl)C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[O-] ZINC000901939745 743682899 /nfs/dbraw/zinc/68/28/99/743682899.db2.gz WBXXAWPIEUJBKJ-QGZVFWFLSA-N 1 1 354.853 3.018 20 30 FGEDMO CC[N@@H+]1CCc2nc(NC(=O)Cc3c(C)cc(C#N)cc3C)sc2C1 ZINC000905407232 744019758 /nfs/dbraw/zinc/01/97/58/744019758.db2.gz BDDFLOWBCQGKLA-UHFFFAOYSA-N 1 1 354.479 3.191 20 30 FGEDMO CC[N@H+]1CCc2nc(NC(=O)Cc3c(C)cc(C#N)cc3C)sc2C1 ZINC000905407232 744019762 /nfs/dbraw/zinc/01/97/62/744019762.db2.gz BDDFLOWBCQGKLA-UHFFFAOYSA-N 1 1 354.479 3.191 20 30 FGEDMO CN(C(=O)[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000948844438 762351889 /nfs/dbraw/zinc/35/18/89/762351889.db2.gz FDUYQYXCMYHXMZ-ZYSHUDEJSA-N 1 1 357.523 3.479 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](C)N(CC)CC ZINC000915226507 757902518 /nfs/dbraw/zinc/90/25/18/757902518.db2.gz OZXAEEBLFJSSKY-CQSZACIVSA-N 1 1 353.304 3.281 20 30 FGEDMO C=CCC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000924427592 759338497 /nfs/dbraw/zinc/33/84/97/759338497.db2.gz KMDWYIDCVRZJAF-SFHVURJKSA-N 1 1 362.901 3.234 20 30 FGEDMO C=CCC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000924427592 759338507 /nfs/dbraw/zinc/33/85/07/759338507.db2.gz KMDWYIDCVRZJAF-SFHVURJKSA-N 1 1 362.901 3.234 20 30 FGEDMO N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Cl)c1 ZINC000928102982 760087981 /nfs/dbraw/zinc/08/79/81/760087981.db2.gz KLWHXLCHYPJPPT-KGLIPLIRSA-N 1 1 370.305 3.175 20 30 FGEDMO N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c(Cl)c1 ZINC000928102982 760087993 /nfs/dbraw/zinc/08/79/93/760087993.db2.gz KLWHXLCHYPJPPT-KGLIPLIRSA-N 1 1 370.305 3.175 20 30 FGEDMO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC1CCC(C#N)CC1 ZINC000929348152 760365980 /nfs/dbraw/zinc/36/59/80/760365980.db2.gz OPDSVLZAFXOPCW-UHFFFAOYSA-N 1 1 364.511 3.121 20 30 FGEDMO N#CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000932923376 761275806 /nfs/dbraw/zinc/27/58/06/761275806.db2.gz WYYPNMDSONBIQT-JSGCOSHPSA-N 1 1 374.432 3.104 20 30 FGEDMO COC(=O)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@H]([C@@H]2CCCO2)C1 ZINC000933178965 761333137 /nfs/dbraw/zinc/33/31/37/761333137.db2.gz FSVFROZLFYXPJR-NEWSRXKRSA-N 1 1 361.869 3.124 20 30 FGEDMO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]([C@@H]2CCCO2)C1 ZINC000933178965 761333147 /nfs/dbraw/zinc/33/31/47/761333147.db2.gz FSVFROZLFYXPJR-NEWSRXKRSA-N 1 1 361.869 3.124 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Cc4nccs4)C3)o2)cc1 ZINC000934332111 761596797 /nfs/dbraw/zinc/59/67/97/761596797.db2.gz HYWMVYHFRZZYCO-AWEZNQCLSA-N 1 1 351.435 3.129 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Cc4nccs4)C3)o2)cc1 ZINC000934332111 761596804 /nfs/dbraw/zinc/59/68/04/761596804.db2.gz HYWMVYHFRZZYCO-AWEZNQCLSA-N 1 1 351.435 3.129 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C)cc2Cl)C1 ZINC000970447456 762875037 /nfs/dbraw/zinc/87/50/37/762875037.db2.gz QKNQJJDILVHIEP-YJLNNSPDSA-N 1 1 362.901 3.176 20 30 FGEDMO 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CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCCCC1 ZINC000182680430 495662079 /nfs/dbraw/zinc/66/20/79/495662079.db2.gz OGQNKOHNYCNRAT-GOSISDBHSA-N 1 1 374.554 3.112 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000574540860 505797225 /nfs/dbraw/zinc/79/72/25/505797225.db2.gz UARCEZKEEMKLBR-IDZYALCFSA-N 1 1 359.473 3.298 20 30 FGEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C#N)[nH]1 ZINC000159292925 495703615 /nfs/dbraw/zinc/70/36/15/495703615.db2.gz QZVWUFNYZHWBQN-LJQANCHMSA-N 1 1 350.466 3.089 20 30 FGEDMO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nc(C2CC2)no1 ZINC000179820697 495747584 /nfs/dbraw/zinc/74/75/84/495747584.db2.gz RMNMKQBVXGSKQK-KRWDZBQOSA-N 1 1 353.426 3.134 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000151144720 495752751 /nfs/dbraw/zinc/75/27/51/495752751.db2.gz ITRSOTXQOUABHI-GOSISDBHSA-N 1 1 368.525 3.473 20 30 FGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1(C)C ZINC000174019045 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30 FGEDMO C=C(C)COCCNC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000151501297 495858752 /nfs/dbraw/zinc/85/87/52/495858752.db2.gz ZJDZWDBXZVBMPA-ICSRJNTNSA-N 1 1 359.514 3.446 20 30 FGEDMO NC(=O)CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000176994917 495875309 /nfs/dbraw/zinc/87/53/09/495875309.db2.gz RQMHBSSNRBEJDI-UHFFFAOYSA-N 1 1 360.379 3.435 20 30 FGEDMO COc1cccc([C@H]2[C@H](NC(=O)c3cccc(C#N)c3)CC[N@H+]2C2CC2)c1 ZINC000183233125 495891078 /nfs/dbraw/zinc/89/10/78/495891078.db2.gz MSHOBZSQRBIUPU-RTWAWAEBSA-N 1 1 361.445 3.275 20 30 FGEDMO COc1cc(C)c(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1OC ZINC000155279134 495902616 /nfs/dbraw/zinc/90/26/16/495902616.db2.gz QZNJVWMNERMYDE-HXUWFJFHSA-N 1 1 365.477 3.395 20 30 FGEDMO COCCOc1cccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000155284906 495905457 /nfs/dbraw/zinc/90/54/57/495905457.db2.gz TZYPAOJGYZLEDH-JOCHJYFZSA-N 1 1 365.477 3.094 20 30 FGEDMO COc1cccc([C@H]2[C@@H](NC(=O)c3cc(C#N)cs3)CC[N@@H+]2C2CC2)c1 ZINC000183262579 495906419 /nfs/dbraw/zinc/90/64/19/495906419.db2.gz FSOAFNWBROTGAQ-HKUYNNGSSA-N 1 1 367.474 3.336 20 30 FGEDMO COc1cccc([C@H]2[C@@H](NC(=O)c3cc(C#N)cs3)CC[N@H+]2C2CC2)c1 ZINC000183262579 495906424 /nfs/dbraw/zinc/90/64/24/495906424.db2.gz FSOAFNWBROTGAQ-HKUYNNGSSA-N 1 1 367.474 3.336 20 30 FGEDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000155315312 495916481 /nfs/dbraw/zinc/91/64/81/495916481.db2.gz USMUSZLLVWNOIP-LJQANCHMSA-N 1 1 363.461 3.431 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000151738126 495933170 /nfs/dbraw/zinc/93/31/70/495933170.db2.gz FTYZDRRZFIZOTF-KRWDZBQOSA-N 1 1 357.498 3.486 20 30 FGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)CC(=O)Nc1ccccc1OC ZINC000155412329 495950524 /nfs/dbraw/zinc/95/05/24/495950524.db2.gz GIAAIWQUWIWBRR-UHFFFAOYSA-N 1 1 367.449 3.296 20 30 FGEDMO COC(=O)CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCO1 ZINC000177179771 495963870 /nfs/dbraw/zinc/96/38/70/495963870.db2.gz YNBXKOZRYBYTSZ-KRWDZBQOSA-N 1 1 369.383 3.101 20 30 FGEDMO C[N@@H+](CCN(Cc1ccccc1)c1ccc(C#N)nn1)Cc1ccccc1 ZINC000160514128 495981394 /nfs/dbraw/zinc/98/13/94/495981394.db2.gz RWOFHQAQBVTGTI-UHFFFAOYSA-N 1 1 357.461 3.487 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CC1 ZINC000171681452 495986775 /nfs/dbraw/zinc/98/67/75/495986775.db2.gz BAJRAQKADQUFIA-UHFFFAOYSA-N 1 1 354.454 3.431 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)o1 ZINC000174569271 496014375 /nfs/dbraw/zinc/01/43/75/496014375.db2.gz VBEOLXYUBORHSB-MRXNPFEDSA-N 1 1 361.348 3.038 20 30 FGEDMO CN(CC(F)(F)F)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180549150 496040763 /nfs/dbraw/zinc/04/07/63/496040763.db2.gz HQHOVGMHOYUIPP-NSHDSACASA-N 1 1 360.273 3.430 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180554588 496043170 /nfs/dbraw/zinc/04/31/70/496043170.db2.gz GUQWKNWHESQQHB-GOEBONIOSA-N 1 1 359.367 3.463 20 30 FGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000574635739 505820837 /nfs/dbraw/zinc/82/08/37/505820837.db2.gz UQNWXNLRVOTEJR-IBGZPJMESA-N 1 1 354.498 3.353 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000160955675 496074851 /nfs/dbraw/zinc/07/48/51/496074851.db2.gz OXAIVPWXHNODFC-DENIHFKCSA-N 1 1 369.509 3.177 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177567142 496114381 /nfs/dbraw/zinc/11/43/81/496114381.db2.gz KFYSMBUDIZQMEW-OKZBNKHCSA-N 1 1 355.482 3.452 20 30 FGEDMO CCOC(=O)c1ccc(N2CCC[N@@H+](CCCC(C)(C)C#N)CC2)nc1 ZINC000174837513 496127316 /nfs/dbraw/zinc/12/73/16/496127316.db2.gz TZWYUYOTTYDMIK-UHFFFAOYSA-N 1 1 358.486 3.100 20 30 FGEDMO COc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000183829580 496129722 /nfs/dbraw/zinc/12/97/22/496129722.db2.gz KFUBUTBOIAWVPJ-AWEZNQCLSA-N 1 1 355.394 3.432 20 30 FGEDMO CN(CC(=O)Nc1sccc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174950482 496178782 /nfs/dbraw/zinc/17/87/82/496178782.db2.gz BDTHSDVABARZMK-SFHVURJKSA-N 1 1 368.506 3.155 20 30 FGEDMO N#Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000172204917 496208901 /nfs/dbraw/zinc/20/89/01/496208901.db2.gz BQTOJEBILYNBOS-LJQANCHMSA-N 1 1 366.440 3.161 20 30 FGEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1nccs1 ZINC000175097193 496246046 /nfs/dbraw/zinc/24/60/46/496246046.db2.gz DZSBFBRGQCBLAV-UHFFFAOYSA-N 1 1 360.508 3.416 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1nccs1 ZINC000175097193 496246050 /nfs/dbraw/zinc/24/60/50/496246050.db2.gz DZSBFBRGQCBLAV-UHFFFAOYSA-N 1 1 360.508 3.416 20 30 FGEDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177916294 496250644 /nfs/dbraw/zinc/25/06/44/496250644.db2.gz JETOIOMXAWSCPE-GASCZTMLSA-N 1 1 374.460 3.050 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCCn1ccnc1 ZINC000181089254 496265263 /nfs/dbraw/zinc/26/52/63/496265263.db2.gz XDMAMMFPLGYNGI-INIZCTEOSA-N 1 1 371.510 3.095 20 30 FGEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCCC[C@@H]1O ZINC000181093663 496267981 /nfs/dbraw/zinc/26/79/81/496267981.db2.gz FUPPCICZHNJHOE-ICSRJNTNSA-N 1 1 352.482 3.447 20 30 FGEDMO C=CCCO[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156632268 496298627 /nfs/dbraw/zinc/29/86/27/496298627.db2.gz JFRCJRJOSFTJCB-NRSPTQNISA-N 1 1 356.510 3.481 20 30 FGEDMO C=CCOCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156640632 496300334 /nfs/dbraw/zinc/30/03/34/496300334.db2.gz NWLGCEDCDNTUQA-NHCUHLMSSA-N 1 1 356.510 3.482 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c(C#N)c1C ZINC000156716794 496318814 /nfs/dbraw/zinc/31/88/14/496318814.db2.gz IRHHUKXTAVNMIR-SFHVURJKSA-N 1 1 367.449 3.040 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c(C#N)c1C ZINC000156716794 496318817 /nfs/dbraw/zinc/31/88/17/496318817.db2.gz IRHHUKXTAVNMIR-SFHVURJKSA-N 1 1 367.449 3.040 20 30 FGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156770988 496329607 /nfs/dbraw/zinc/32/96/07/496329607.db2.gz NNLMCCUBMGFEMR-QAPCUYQASA-N 1 1 372.465 3.349 20 30 FGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156770988 496329615 /nfs/dbraw/zinc/32/96/15/496329615.db2.gz NNLMCCUBMGFEMR-QAPCUYQASA-N 1 1 372.465 3.349 20 30 FGEDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000153033327 496332446 /nfs/dbraw/zinc/33/24/46/496332446.db2.gz AMQYAGVYKZPUEN-KBPBESRZSA-N 1 1 361.511 3.062 20 30 FGEDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000153033327 496332451 /nfs/dbraw/zinc/33/24/51/496332451.db2.gz AMQYAGVYKZPUEN-KBPBESRZSA-N 1 1 361.511 3.062 20 30 FGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000181269945 496334000 /nfs/dbraw/zinc/33/40/00/496334000.db2.gz IHTFZXRMELVUHA-UHFFFAOYSA-N 1 1 350.466 3.471 20 30 FGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000181269945 496334002 /nfs/dbraw/zinc/33/40/02/496334002.db2.gz IHTFZXRMELVUHA-UHFFFAOYSA-N 1 1 350.466 3.471 20 30 FGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156836854 496345531 /nfs/dbraw/zinc/34/55/31/496345531.db2.gz UBAOWIFVVVAZEB-OXJNMPFZSA-N 1 1 354.475 3.210 20 30 FGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156836854 496345537 /nfs/dbraw/zinc/34/55/37/496345537.db2.gz UBAOWIFVVVAZEB-OXJNMPFZSA-N 1 1 354.475 3.210 20 30 FGEDMO C=CCOc1ccccc1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000178188649 496362781 /nfs/dbraw/zinc/36/27/81/496362781.db2.gz JVTIONUIHJKLDO-UHFFFAOYSA-N 1 1 366.465 3.057 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175418085 496383322 /nfs/dbraw/zinc/38/33/22/496383322.db2.gz GNGORYFMYLTIOP-HAWMADMCSA-N 1 1 372.490 3.376 20 30 FGEDMO Cc1nc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000178301901 496405342 /nfs/dbraw/zinc/40/53/42/496405342.db2.gz KIBAIORLLGUOJS-IRLDBZIGSA-N 1 1 374.488 3.388 20 30 FGEDMO CCc1cccc(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000153295640 496412371 /nfs/dbraw/zinc/41/23/71/496412371.db2.gz RREINOSREFTSCB-UHFFFAOYSA-N 1 1 361.489 3.398 20 30 FGEDMO CCCOc1ccc(C[N@H+](CC(=O)NCC#N)Cc2ccccc2)cc1 ZINC000181489000 496416688 /nfs/dbraw/zinc/41/66/88/496416688.db2.gz SNNMSBWWCBRVKQ-UHFFFAOYSA-N 1 1 351.450 3.117 20 30 FGEDMO CCCOc1ccc(C[N@@H+](CC(=O)NCC#N)Cc2ccccc2)cc1 ZINC000181489000 496416695 /nfs/dbraw/zinc/41/66/95/496416695.db2.gz SNNMSBWWCBRVKQ-UHFFFAOYSA-N 1 1 351.450 3.117 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000175548710 496436970 /nfs/dbraw/zinc/43/69/70/496436970.db2.gz DAYASBWLXZAAIR-UHFFFAOYSA-N 1 1 357.479 3.413 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000175548710 496436974 /nfs/dbraw/zinc/43/69/74/496436974.db2.gz DAYASBWLXZAAIR-UHFFFAOYSA-N 1 1 357.479 3.413 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2CCO)ccc1Cl ZINC000163112115 496466239 /nfs/dbraw/zinc/46/62/39/496466239.db2.gz QBMIZWSQGAWOQL-INIZCTEOSA-N 1 1 363.889 3.132 20 30 FGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000181613234 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Cc1cc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)nn1CCC#N ZINC000271026475 497248619 /nfs/dbraw/zinc/24/86/19/497248619.db2.gz HHVGDQLPHSTJTH-GOSISDBHSA-N 1 1 351.454 3.098 20 30 FGEDMO Cc1cc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)nn1CCC#N ZINC000271026475 497248624 /nfs/dbraw/zinc/24/86/24/497248624.db2.gz HHVGDQLPHSTJTH-GOSISDBHSA-N 1 1 351.454 3.098 20 30 FGEDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000189949852 497304076 /nfs/dbraw/zinc/30/40/76/497304076.db2.gz FZXNIYWCHOHHFU-SPEDKVCISA-N 1 1 363.505 3.338 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000275519793 497351592 /nfs/dbraw/zinc/35/15/92/497351592.db2.gz ZAXCNEZOFZXBFM-QWHCGFSZSA-N 1 1 363.412 3.090 20 30 FGEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000245495439 497428324 /nfs/dbraw/zinc/42/83/24/497428324.db2.gz PLSQRUGROIAZGV-QGTPRVQTSA-N 1 1 374.916 3.486 20 30 FGEDMO COc1ccc(C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000279415386 497433782 /nfs/dbraw/zinc/43/37/82/497433782.db2.gz OKEDFBSGOPXKGT-UHFFFAOYSA-N 1 1 361.449 3.499 20 30 FGEDMO COC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)cc1 ZINC000193682660 497444854 /nfs/dbraw/zinc/44/48/54/497444854.db2.gz RATZMPMMZBYBHR-INIZCTEOSA-N 1 1 361.829 3.337 20 30 FGEDMO Cc1ccnc(-c2n[nH]c([C@H](C)[NH2+][C@H](C)c3ccc(OCC#N)cc3)n2)c1 ZINC000279527761 497463043 /nfs/dbraw/zinc/46/30/43/497463043.db2.gz OYAIJNGCYSCBIN-CABCVRRESA-N 1 1 362.437 3.489 20 30 FGEDMO C=CC[N@@H+](Cc1cccc2c1NCC2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262000958 497490407 /nfs/dbraw/zinc/49/04/07/497490407.db2.gz UDICZWGWGHQZKP-INIZCTEOSA-N 1 1 360.465 3.380 20 30 FGEDMO N#CC1(c2ccc(C(=O)NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000193841507 497497822 /nfs/dbraw/zinc/49/78/22/497497822.db2.gz QPZJRIVSDZTKDL-LJQANCHMSA-N 1 1 359.473 3.494 20 30 FGEDMO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(F)c1 ZINC000190626715 497552118 /nfs/dbraw/zinc/55/21/18/497552118.db2.gz PSOIZGVXOGETNE-JLTOFOAXSA-N 1 1 367.424 3.158 20 30 FGEDMO C=CCCc1ccccc1NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000578331630 505916634 /nfs/dbraw/zinc/91/66/34/505916634.db2.gz KRWLYHWDXCZPBO-UHFFFAOYSA-N 1 1 356.514 3.143 20 30 FGEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000272375148 497611722 /nfs/dbraw/zinc/61/17/22/497611722.db2.gz HWOKDBJPDOJTMZ-OAHLLOKOSA-N 1 1 367.449 3.425 20 30 FGEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000272375148 497611724 /nfs/dbraw/zinc/61/17/24/497611724.db2.gz HWOKDBJPDOJTMZ-OAHLLOKOSA-N 1 1 367.449 3.425 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc([N@@H+]2CCCC[C@H]2C)cc1C ZINC000246088696 497617145 /nfs/dbraw/zinc/61/71/45/497617145.db2.gz JAEVHYGQOVJNHF-CVEARBPZSA-N 1 1 358.486 3.186 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@H](C)Nc1ccc([N@H+]2CCCC[C@H]2C)cc1C ZINC000246088696 497617150 /nfs/dbraw/zinc/61/71/50/497617150.db2.gz JAEVHYGQOVJNHF-CVEARBPZSA-N 1 1 358.486 3.186 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3Cn3cnc4ccccc43)n2c1 ZINC000581158866 505923172 /nfs/dbraw/zinc/92/31/72/505923172.db2.gz KGZRDHOBBRAPRF-QGZVFWFLSA-N 1 1 356.433 3.220 20 30 FGEDMO COc1ccc([C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)cc1 ZINC000246376508 497712922 /nfs/dbraw/zinc/71/29/22/497712922.db2.gz HVLSJPCEMKAURF-AEFFLSMTSA-N 1 1 367.474 3.223 20 30 FGEDMO COc1ccc([C@@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)cc1 ZINC000246376508 497712925 /nfs/dbraw/zinc/71/29/25/497712925.db2.gz HVLSJPCEMKAURF-AEFFLSMTSA-N 1 1 367.474 3.223 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)C1 ZINC000246421448 497729565 /nfs/dbraw/zinc/72/95/65/497729565.db2.gz BWDWOXFRABQCFO-PXNSSMCTSA-N 1 1 366.509 3.400 20 30 FGEDMO CC(C)(C#N)CCC[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191306966 497775469 /nfs/dbraw/zinc/77/54/69/497775469.db2.gz LRUUZVUQVTTZJP-UHFFFAOYSA-N 1 1 361.437 3.399 20 30 FGEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)C1CC1 ZINC000246607750 497787755 /nfs/dbraw/zinc/78/77/55/497787755.db2.gz JGPVFWWXOLKILW-JLTOFOAXSA-N 1 1 372.538 3.010 20 30 FGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1)C1CC1 ZINC000246607750 497787757 /nfs/dbraw/zinc/78/77/57/497787757.db2.gz JGPVFWWXOLKILW-JLTOFOAXSA-N 1 1 372.538 3.010 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246673260 497798395 /nfs/dbraw/zinc/79/83/95/497798395.db2.gz QNIZKIUPEMOQDX-FUHWJXTLSA-N 1 1 353.422 3.068 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000246816854 497813464 /nfs/dbraw/zinc/81/34/64/497813464.db2.gz SFTSUGRHEYYIBC-AZUAARDMSA-N 1 1 354.425 3.002 20 30 FGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Br)n1 ZINC000291991532 497829077 /nfs/dbraw/zinc/82/90/77/497829077.db2.gz AIKXBVOKYLASTL-UHFFFAOYSA-N 1 1 360.255 3.364 20 30 FGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Br)n1 ZINC000291991532 497829082 /nfs/dbraw/zinc/82/90/82/497829082.db2.gz AIKXBVOKYLASTL-UHFFFAOYSA-N 1 1 360.255 3.364 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)C1 ZINC000329571999 497832421 /nfs/dbraw/zinc/83/24/21/497832421.db2.gz QYOCNJDHVPGXOU-MYKSZAICSA-N 1 1 357.498 3.283 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H]1c1ccc(Cl)cc1 ZINC000329584278 497836625 /nfs/dbraw/zinc/83/66/25/497836625.db2.gz QUEDKVQHEVNPAR-PEJOBZMASA-N 1 1 364.873 3.093 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H]1c1ccc(Cl)cc1 ZINC000329584278 497836630 /nfs/dbraw/zinc/83/66/30/497836630.db2.gz QUEDKVQHEVNPAR-PEJOBZMASA-N 1 1 364.873 3.093 20 30 FGEDMO Cc1cccc2c1OC[C@H](NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)C2 ZINC000329599788 497841039 /nfs/dbraw/zinc/84/10/39/497841039.db2.gz JWRXEWQWLJQOCP-NZSAHSFTSA-N 1 1 371.525 3.455 20 30 FGEDMO C=CCn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295894137 497845553 /nfs/dbraw/zinc/84/55/53/497845553.db2.gz HZQVKPWCNGYWQI-RBUKOAKNSA-N 1 1 367.497 3.026 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329674556 497865012 /nfs/dbraw/zinc/86/50/12/497865012.db2.gz OPGWYNKHOTWHJD-MLHJIOFPSA-N 1 1 357.502 3.055 20 30 FGEDMO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000295976102 497876132 /nfs/dbraw/zinc/87/61/32/497876132.db2.gz OIPFHWUHMQMSKX-UHFFFAOYSA-N 1 1 355.486 3.060 20 30 FGEDMO C[C@]12CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C[C@H]1C2(Cl)Cl ZINC000284765775 497893454 /nfs/dbraw/zinc/89/34/54/497893454.db2.gz MKVBKQLQXUQAPV-ZBFHGGJFSA-N 1 1 352.265 3.403 20 30 FGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3ccc(O)cc3)CC2)C1 ZINC000329823453 497914519 /nfs/dbraw/zinc/91/45/19/497914519.db2.gz QHNWWDSOXSEQOU-KRWDZBQOSA-N 1 1 359.514 3.464 20 30 FGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000329823153 497914936 /nfs/dbraw/zinc/91/49/36/497914936.db2.gz ZJIWUXBJQPVVRC-CWTRNNRKSA-N 1 1 356.445 3.062 20 30 FGEDMO C[N@@H+](CCCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000280831506 497915380 /nfs/dbraw/zinc/91/53/80/497915380.db2.gz OEULTUVQYKOTGL-IBGZPJMESA-N 1 1 352.482 3.011 20 30 FGEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000569499427 505949771 /nfs/dbraw/zinc/94/97/71/505949771.db2.gz IAXQSQZYJKXJKJ-VQIMIIECSA-N 1 1 369.490 3.200 20 30 FGEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000569499427 505949773 /nfs/dbraw/zinc/94/97/73/505949773.db2.gz IAXQSQZYJKXJKJ-VQIMIIECSA-N 1 1 369.490 3.200 20 30 FGEDMO COc1ccc(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1C#N ZINC000280896196 497940551 /nfs/dbraw/zinc/94/05/51/497940551.db2.gz QMAJQIQINXNMFL-YWZLYKJASA-N 1 1 372.490 3.139 20 30 FGEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000364445832 497960879 /nfs/dbraw/zinc/96/08/79/497960879.db2.gz CBXDBSUMBOSJFP-QFIPXVFZSA-N 1 1 361.445 3.465 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280954015 497964131 /nfs/dbraw/zinc/96/41/31/497964131.db2.gz KFVNATZXCWSPFS-KCLUMXDGSA-N 1 1 371.525 3.177 20 30 FGEDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]3CC34CCCC4)cc2)CC1 ZINC000329963574 497972046 /nfs/dbraw/zinc/97/20/46/497972046.db2.gz PYZQFOSLJLGTTO-SFHVURJKSA-N 1 1 355.482 3.111 20 30 FGEDMO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000329966589 497973804 /nfs/dbraw/zinc/97/38/04/497973804.db2.gz VCFQMHNVRIGCNE-KPFFTGBYSA-N 1 1 368.481 3.178 20 30 FGEDMO CN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329985160 497979979 /nfs/dbraw/zinc/97/99/79/497979979.db2.gz CXLBIEDOYXEMDT-LJQANCHMSA-N 1 1 354.498 3.376 20 30 FGEDMO CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000285123228 497999612 /nfs/dbraw/zinc/99/96/12/497999612.db2.gz MVFIOAFJAKCSRZ-HXUWFJFHSA-N 1 1 356.470 3.298 20 30 FGEDMO C=CCNC(=O)c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000301220859 498005198 /nfs/dbraw/zinc/00/51/98/498005198.db2.gz BNHYAGFZPRMWFA-LJQANCHMSA-N 1 1 350.466 3.074 20 30 FGEDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cn(C(C)(C)C)nn3)c2)C[C@H](C)O1 ZINC000330056478 498005950 /nfs/dbraw/zinc/00/59/50/498005950.db2.gz VXNLAXPPZYXEQJ-GJZGRUSLSA-N 1 1 371.485 3.279 20 30 FGEDMO N#Cc1cc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)ccc1F ZINC000285155999 498008468 /nfs/dbraw/zinc/00/84/68/498008468.db2.gz PDPBMBWACFKGBC-UHFFFAOYSA-N 1 1 363.436 3.360 20 30 FGEDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000285383065 498069837 /nfs/dbraw/zinc/06/98/37/498069837.db2.gz ZZCHEMMJDYZYEZ-SFHVURJKSA-N 1 1 373.497 3.258 20 30 FGEDMO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(CSc3ccc(C#N)cc3)n1)OC2 ZINC000350355136 498085190 /nfs/dbraw/zinc/08/51/90/498085190.db2.gz LSVWIPKMVJECRQ-YJBOKZPZSA-N 1 1 356.451 3.159 20 30 FGEDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(CSc3ccc(C#N)cc3)n1)OC2 ZINC000350355136 498085200 /nfs/dbraw/zinc/08/52/00/498085200.db2.gz LSVWIPKMVJECRQ-YJBOKZPZSA-N 1 1 356.451 3.159 20 30 FGEDMO CC[C@@H]1CN(c2c(C#N)cnc3ccc(Cl)cc32)CC[N@H+]1C[C@H](C)O ZINC000301402267 498094909 /nfs/dbraw/zinc/09/49/09/498094909.db2.gz JKJSOQGJJRGTJS-XJKSGUPXSA-N 1 1 358.873 3.041 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc4n(n3)CCCO4)cc2)C1 ZINC000330310789 498100511 /nfs/dbraw/zinc/10/05/11/498100511.db2.gz VIBVLHLNWBVWOF-INIZCTEOSA-N 1 1 368.481 3.402 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](O)C23CCCC3)C1 ZINC000330348265 498114164 /nfs/dbraw/zinc/11/41/64/498114164.db2.gz IOFMMKLRYVBTDU-NZSAHSFTSA-N 1 1 357.498 3.115 20 30 FGEDMO C[C@@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000296617905 498123036 /nfs/dbraw/zinc/12/30/36/498123036.db2.gz KRBXILVNSVLPIS-UMGGQSCQSA-N 1 1 354.498 3.279 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccc4c(n3)CCCC4=O)CC2)cc1 ZINC000296630095 498129199 /nfs/dbraw/zinc/12/91/99/498129199.db2.gz VOMWKMYGVLPOOT-UHFFFAOYSA-N 1 1 360.461 3.185 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc4c(n3)CCCC4=O)CC2)cc1 ZINC000296630095 498129205 /nfs/dbraw/zinc/12/92/05/498129205.db2.gz VOMWKMYGVLPOOT-UHFFFAOYSA-N 1 1 360.461 3.185 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2C1 ZINC000289457585 498155438 /nfs/dbraw/zinc/15/54/38/498155438.db2.gz GESSTDMLDWDXEZ-ROUUACIJSA-N 1 1 371.481 3.278 20 30 FGEDMO CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c(Cl)c1 ZINC000330776545 498192017 /nfs/dbraw/zinc/19/20/17/498192017.db2.gz ZRHWLRPOBYQFIH-INIZCTEOSA-N 1 1 352.866 3.116 20 30 FGEDMO N#CC1CCC(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000281594288 498206173 /nfs/dbraw/zinc/20/61/73/498206173.db2.gz FUJWLPMETJPPMS-XVAXZDLZSA-N 1 1 368.525 3.180 20 30 FGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc(OC)c1O ZINC000289612040 498216211 /nfs/dbraw/zinc/21/62/11/498216211.db2.gz LGRSBQKWCQITOY-HUUCEWRRSA-N 1 1 359.388 3.122 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)OC)c(C)cc2C)[C@@H](C)C1 ZINC000330972452 498228092 /nfs/dbraw/zinc/22/80/92/498228092.db2.gz KKYQNJJBOKJRAP-YJBOKZPZSA-N 1 1 361.486 3.298 20 30 FGEDMO C=CCC(C)(C)CNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000293023310 498238917 /nfs/dbraw/zinc/23/89/17/498238917.db2.gz KTWGQFPCBUAACG-UHFFFAOYSA-N 1 1 362.518 3.405 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000296891967 498239507 /nfs/dbraw/zinc/23/95/07/498239507.db2.gz YEPKQGZSJKRIRF-UHFFFAOYSA-N 1 1 373.254 3.467 20 30 FGEDMO Cc1cc(C#N)cc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000572576786 506002275 /nfs/dbraw/zinc/00/22/75/506002275.db2.gz BPCBANSIGMJDKV-BGYRXZFFSA-N 1 1 360.461 3.462 20 30 FGEDMO CC[C@@H]1CN(C(=O)Nc2ccc(C)c(OC(C)C)c2)CC[N@H+]1C[C@H](C)O ZINC000331188624 498271920 /nfs/dbraw/zinc/27/19/20/498271920.db2.gz ZLDAEPWBMGUCHH-FUHWJXTLSA-N 1 1 363.502 3.105 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@@H]1C ZINC000331247291 498284165 /nfs/dbraw/zinc/28/41/65/498284165.db2.gz VLIPADDPXCBWCH-RDJZCZTQSA-N 1 1 357.502 3.269 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C[C@@H]1C ZINC000331271355 498289338 /nfs/dbraw/zinc/28/93/38/498289338.db2.gz GLFZAVXIVIDKNF-JQWIXIFHSA-N 1 1 360.380 3.156 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C[C@H]1C ZINC000331271357 498290945 /nfs/dbraw/zinc/29/09/45/498290945.db2.gz GLFZAVXIVIDKNF-ZYHUDNBSSA-N 1 1 360.380 3.156 20 30 FGEDMO CCOC(=O)c1ccsc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000331293624 498295067 /nfs/dbraw/zinc/29/50/67/498295067.db2.gz QVHBGRDEWJXFES-OLZOCXBDSA-N 1 1 353.488 3.275 20 30 FGEDMO CN(C)c1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc[nH+]1 ZINC000286300503 498356576 /nfs/dbraw/zinc/35/65/76/498356576.db2.gz XAJSBGAFFNAFPY-UHFFFAOYSA-N 1 1 367.428 3.013 20 30 FGEDMO N#CC1CCC(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000282067774 498378156 /nfs/dbraw/zinc/37/81/56/498378156.db2.gz CHSCWEXAMWKNNF-UHFFFAOYSA-N 1 1 354.498 3.234 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000286379736 498380451 /nfs/dbraw/zinc/38/04/51/498380451.db2.gz ZGTQYTUDSKDHBC-SJORKVTESA-N 1 1 359.514 3.457 20 30 FGEDMO 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ZINC000463452544 501728124 /nfs/dbraw/zinc/72/81/24/501728124.db2.gz CAMUGHITVSPJEX-SFHVURJKSA-N 1 1 366.465 3.015 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H]1CCOC1 ZINC000463452544 501728126 /nfs/dbraw/zinc/72/81/26/501728126.db2.gz CAMUGHITVSPJEX-SFHVURJKSA-N 1 1 366.465 3.015 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481327948 501745731 /nfs/dbraw/zinc/74/57/31/501745731.db2.gz OMDRXBKNAUAUAS-HKUYNNGSSA-N 1 1 356.514 3.425 20 30 FGEDMO C=CCC[N@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000467291215 501761006 /nfs/dbraw/zinc/76/10/06/501761006.db2.gz USWSUBISZFBFBN-LJQANCHMSA-N 1 1 367.449 3.474 20 30 FGEDMO C=CCOCCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000470724098 501783262 /nfs/dbraw/zinc/78/32/62/501783262.db2.gz RIRUVVMJHOGYGF-UHFFFAOYSA-N 1 1 357.281 3.344 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Oc3cccnc3)c(C)c2)C1=O ZINC000467521799 501815152 /nfs/dbraw/zinc/81/51/52/501815152.db2.gz RQCCZQRMOQEYED-IBGZPJMESA-N 1 1 351.450 3.401 20 30 FGEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCCOc1ccccc1)c1ccc(F)c(F)c1 ZINC000481604753 501829561 /nfs/dbraw/zinc/82/95/61/501829561.db2.gz MEOXHVOLAIQESH-HXUWFJFHSA-N 1 1 360.404 3.367 20 30 FGEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460564164 501862375 /nfs/dbraw/zinc/86/23/75/501862375.db2.gz WHDLDHLNHJSPMM-HKUYNNGSSA-N 1 1 368.529 3.149 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc2)C[C@H](C)O1 ZINC000464151833 501908756 /nfs/dbraw/zinc/90/87/56/501908756.db2.gz KXBJBOAVLGGEMX-MRUHUIDDSA-N 1 1 357.498 3.354 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc2)C[C@H](C)O1 ZINC000464151833 501908759 /nfs/dbraw/zinc/90/87/59/501908759.db2.gz KXBJBOAVLGGEMX-MRUHUIDDSA-N 1 1 357.498 3.354 20 30 FGEDMO COC(=O)c1oc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000602744881 506282151 /nfs/dbraw/zinc/28/21/51/506282151.db2.gz UVLNNVISMQIVSP-UHFFFAOYSA-N 1 1 367.449 3.001 20 30 FGEDMO C[N@@H+](CCc1ccc(F)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485813863 501947832 /nfs/dbraw/zinc/94/78/32/501947832.db2.gz KBHGDDUEZVVGFO-FQEVSTJZSA-N 1 1 351.425 3.367 20 30 FGEDMO C=C(C)COCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000474797356 501956656 /nfs/dbraw/zinc/95/66/56/501956656.db2.gz ZEFPEPCNJAWMFJ-GOSISDBHSA-N 1 1 359.514 3.310 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C[C@H]1C ZINC000460920293 501958552 /nfs/dbraw/zinc/95/85/52/501958552.db2.gz BFYIPIWOMYVWPB-SJORKVTESA-N 1 1 366.513 3.392 20 30 FGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CCCCOc1cccc(C#N)c1 ZINC000461264149 502055585 /nfs/dbraw/zinc/05/55/85/502055585.db2.gz NSHNQACNVDPVTQ-IBGZPJMESA-N 1 1 357.498 3.440 20 30 FGEDMO C=CCOc1cccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)c1 ZINC000475102225 502060386 /nfs/dbraw/zinc/06/03/86/502060386.db2.gz VFLGGELJSSZSCW-ICSRJNTNSA-N 1 1 372.488 3.029 20 30 FGEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000486177420 502073062 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C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471872896 502161993 /nfs/dbraw/zinc/16/19/93/502161993.db2.gz RMAGGSNSBAECGJ-FUHIMQAGSA-N 1 1 366.509 3.113 20 30 FGEDMO CC(C)[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC[N@H+]1C ZINC000479316935 502222128 /nfs/dbraw/zinc/22/21/28/502222128.db2.gz LNKJXSDRQYCTBZ-FQEVSTJZSA-N 1 1 351.498 3.260 20 30 FGEDMO N#C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000479317692 502223313 /nfs/dbraw/zinc/22/33/13/502223313.db2.gz RZIOHKYHZZRETF-AZUAARDMSA-N 1 1 351.425 3.419 20 30 FGEDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)Nc1cccc(C#N)c1 ZINC000482976997 502234146 /nfs/dbraw/zinc/23/41/46/502234146.db2.gz FMDXEYSUNHDZGL-VXGBXAGGSA-N 1 1 373.254 3.394 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@]3(CO)Cc3ccccc3)o2)c1 ZINC000475671436 502249916 /nfs/dbraw/zinc/24/99/16/502249916.db2.gz PVILQHXZJVYRGR-JOCHJYFZSA-N 1 1 374.444 3.178 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000461961312 502254289 /nfs/dbraw/zinc/25/42/89/502254289.db2.gz ACWPHZIRESNFMA-UZLBHIALSA-N 1 1 366.465 3.403 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000461961312 502254296 /nfs/dbraw/zinc/25/42/96/502254296.db2.gz ACWPHZIRESNFMA-UZLBHIALSA-N 1 1 366.465 3.403 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000472174593 502257769 /nfs/dbraw/zinc/25/77/69/502257769.db2.gz QZARZRFAOUZKAK-LJQANCHMSA-N 1 1 359.514 3.275 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000475742408 502276741 /nfs/dbraw/zinc/27/67/41/502276741.db2.gz PJLBOOPZNBTCQA-GOSISDBHSA-N 1 1 371.868 3.340 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000475742408 502276743 /nfs/dbraw/zinc/27/67/43/502276743.db2.gz PJLBOOPZNBTCQA-GOSISDBHSA-N 1 1 371.868 3.340 20 30 FGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000475744931 502277434 /nfs/dbraw/zinc/27/74/34/502277434.db2.gz SDYILDXICRKRGA-PMPSAXMXSA-N 1 1 351.454 3.049 20 30 FGEDMO N#Cc1cc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)ccc1F ZINC000483114455 502277884 /nfs/dbraw/zinc/27/78/84/502277884.db2.gz BYJPNWRDBRHUJR-OAHLLOKOSA-N 1 1 354.303 3.419 20 30 FGEDMO CC#CCCNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000483218398 502316742 /nfs/dbraw/zinc/31/67/42/502316742.db2.gz HCHKTWZCPFDNKR-YOEHRIQHSA-N 1 1 351.853 3.185 20 30 FGEDMO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000483273407 502335163 /nfs/dbraw/zinc/33/51/63/502335163.db2.gz YMGLCGDAPLLRAQ-HTAPYJJXSA-N 1 1 365.525 3.333 20 30 FGEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C#N)n(C)c1 ZINC000483273407 502335164 /nfs/dbraw/zinc/33/51/64/502335164.db2.gz YMGLCGDAPLLRAQ-HTAPYJJXSA-N 1 1 365.525 3.333 20 30 FGEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C#N)n(C)c1 ZINC000483273407 502335170 /nfs/dbraw/zinc/33/51/70/502335170.db2.gz YMGLCGDAPLLRAQ-HTAPYJJXSA-N 1 1 365.525 3.333 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000483476639 502403069 /nfs/dbraw/zinc/40/30/69/502403069.db2.gz AKDKTIPDVGLJBY-UHFFFAOYSA-N 1 1 370.428 3.350 20 30 FGEDMO CN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CCC[C@H]1C#N ZINC000602814998 506312056 /nfs/dbraw/zinc/31/20/56/506312056.db2.gz IULNCQMBTSMUSC-MAUKXSAKSA-N 1 1 358.511 3.391 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1F ZINC000483523497 502421030 /nfs/dbraw/zinc/42/10/30/502421030.db2.gz KTTIMQCQTRRNIA-UHFFFAOYSA-N 1 1 355.388 3.231 20 30 FGEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469458479 502425434 /nfs/dbraw/zinc/42/54/34/502425434.db2.gz FZZXTOMHZXLLDT-VQIMIIECSA-N 1 1 352.482 3.357 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000472772884 502437083 /nfs/dbraw/zinc/43/70/83/502437083.db2.gz NUSKAQYNPDUWSR-IBGZPJMESA-N 1 1 363.509 3.103 20 30 FGEDMO Cc1nc(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)ccc1C#N ZINC000469502492 502443251 /nfs/dbraw/zinc/44/32/51/502443251.db2.gz YTSOKVZVYLNQAY-HXUWFJFHSA-N 1 1 350.466 3.148 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000476614824 502542237 /nfs/dbraw/zinc/54/22/37/502542237.db2.gz CGIGYZDSKVSNKH-OALUTQOASA-N 1 1 370.403 3.185 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000476614824 502542244 /nfs/dbraw/zinc/54/22/44/502542244.db2.gz CGIGYZDSKVSNKH-OALUTQOASA-N 1 1 370.403 3.185 20 30 FGEDMO Cc1ccc2ncc(C#N)c(NCc3ccccc3C[NH+]3CCOCC3)c2c1 ZINC000487916412 502566176 /nfs/dbraw/zinc/56/61/76/502566176.db2.gz SIFCJACBPJWDDV-UHFFFAOYSA-N 1 1 372.472 3.281 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(c3cnc(-c4ccccc4)cn3)CC2)cc1 ZINC000487929338 502570256 /nfs/dbraw/zinc/57/02/56/502570256.db2.gz KGOVYTVBRMIOSP-UHFFFAOYSA-N 1 1 355.445 3.337 20 30 FGEDMO C=C(C)CN(C)C(=O)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000488025222 502604243 /nfs/dbraw/zinc/60/42/43/502604243.db2.gz RUNAYGKEUZEJOX-KDURUIRLSA-N 1 1 373.541 3.413 20 30 FGEDMO COC(=O)CC[N@H+](Cc1cccc(Br)c1)CC1(C#N)CC1 ZINC000484308820 502621942 /nfs/dbraw/zinc/62/19/42/502621942.db2.gz JBVJUCQVAIHUKY-UHFFFAOYSA-N 1 1 351.244 3.118 20 30 FGEDMO COC(=O)CC[N@@H+](Cc1cccc(Br)c1)CC1(C#N)CC1 ZINC000484308820 502621946 /nfs/dbraw/zinc/62/19/46/502621946.db2.gz JBVJUCQVAIHUKY-UHFFFAOYSA-N 1 1 351.244 3.118 20 30 FGEDMO C=CC[N@@H+](Cc1cn(C)nc1C(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000462953450 502640982 /nfs/dbraw/zinc/64/09/82/502640982.db2.gz XLCFYGTZYRXLAC-CYBMUJFWSA-N 1 1 373.411 3.083 20 30 FGEDMO COCC[C@@H]1COCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000463008570 502657406 /nfs/dbraw/zinc/65/74/06/502657406.db2.gz JILAJSIHUHEXEE-OAQYLSRUSA-N 1 1 366.461 3.375 20 30 FGEDMO COCC[C@@H]1COCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000463008570 502657415 /nfs/dbraw/zinc/65/74/15/502657415.db2.gz JILAJSIHUHEXEE-OAQYLSRUSA-N 1 1 366.461 3.375 20 30 FGEDMO Cn1c(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[nH+]c2cccc(F)c21 ZINC000582617028 506327062 /nfs/dbraw/zinc/32/70/62/506327062.db2.gz LLRGWTBKFHCGOT-KRWDZBQOSA-N 1 1 363.396 3.192 20 30 FGEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C1(C)C ZINC000477060877 502665658 /nfs/dbraw/zinc/66/56/58/502665658.db2.gz VAYLFXDJYMIBMT-RBUKOAKNSA-N 1 1 357.498 3.090 20 30 FGEDMO N#Cc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000592999872 506328017 /nfs/dbraw/zinc/32/80/17/506328017.db2.gz FNQFMXDOXKUNCZ-QPJJXVBHSA-N 1 1 362.433 3.297 20 30 FGEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)ccc1OCCO ZINC000480902609 502701331 /nfs/dbraw/zinc/70/13/31/502701331.db2.gz UAPFIEJDPCHBBU-ZDUSSCGKSA-N 1 1 360.841 3.442 20 30 FGEDMO C=CC1CCN(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000477429315 502772471 /nfs/dbraw/zinc/77/24/71/502772471.db2.gz JJVYSAZCQCTXSG-UHFFFAOYSA-N 1 1 363.546 3.408 20 30 FGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000484939093 502783820 /nfs/dbraw/zinc/78/38/20/502783820.db2.gz RKVGWUKFLXKVFE-BBWFWOEESA-N 1 1 354.498 3.213 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467115784 502790992 /nfs/dbraw/zinc/79/09/92/502790992.db2.gz IXIXBGMBHCVHFH-CRAIPNDOSA-N 1 1 364.449 3.351 20 30 FGEDMO C[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@H](C)[N@@H+]1C ZINC000513077441 502846574 /nfs/dbraw/zinc/84/65/74/502846574.db2.gz QZCHGKPNCSVILI-CALCHBBNSA-N 1 1 363.461 3.302 20 30 FGEDMO C=CCn1cccc1C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000488987266 502854556 /nfs/dbraw/zinc/85/45/56/502854556.db2.gz WSURTOWOONNLTE-UHFFFAOYSA-N 1 1 372.538 3.335 20 30 FGEDMO COCC[N@@H+](CCC(=O)c1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000509279487 502866126 /nfs/dbraw/zinc/86/61/26/502866126.db2.gz NLHIRGNFMOVQQL-UHFFFAOYSA-N 1 1 352.434 3.288 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC=C(c2ccncc2)C1 ZINC000513183514 502872089 /nfs/dbraw/zinc/87/20/89/502872089.db2.gz LMTHFLGMDWMMIQ-OAQYLSRUSA-N 1 1 350.462 3.339 20 30 FGEDMO CN1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 ZINC000489123586 502883920 /nfs/dbraw/zinc/88/39/20/502883920.db2.gz BXAMCRSHRXVZJX-OAQYLSRUSA-N 1 1 360.461 3.006 20 30 FGEDMO C=CCCCCCN(C)C(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000496394320 502888119 /nfs/dbraw/zinc/88/81/19/502888119.db2.gz LUFMFTIIHNRQHR-LJQANCHMSA-N 1 1 363.546 3.105 20 30 FGEDMO N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)[nH]1 ZINC000513262366 502891266 /nfs/dbraw/zinc/89/12/66/502891266.db2.gz NWQVUGGSQXYEDF-RBBKRZOGSA-N 1 1 370.456 3.284 20 30 FGEDMO N#CCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)C1CCCC1 ZINC000513371035 502917432 /nfs/dbraw/zinc/91/74/32/502917432.db2.gz MCFLSNYAUQSFGJ-SFHVURJKSA-N 1 1 361.436 3.439 20 30 FGEDMO CC(C)[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@@H+]1C ZINC000489326680 502929468 /nfs/dbraw/zinc/92/94/68/502929468.db2.gz GSCNGHSJHXTVFP-IBGZPJMESA-N 1 1 367.449 3.142 20 30 FGEDMO CC(C)[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@H+]1C ZINC000489326680 502929471 /nfs/dbraw/zinc/92/94/71/502929471.db2.gz GSCNGHSJHXTVFP-IBGZPJMESA-N 1 1 367.449 3.142 20 30 FGEDMO CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C#N)c2C)[C@@H]1c1ccccc1 ZINC000497355784 502937839 /nfs/dbraw/zinc/93/78/39/502937839.db2.gz DOKSLHGAFXYQFW-SFTDATJTSA-N 1 1 363.461 3.059 20 30 FGEDMO CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C#N)c2C)[C@@H]1c1ccccc1 ZINC000497355784 502937842 /nfs/dbraw/zinc/93/78/42/502937842.db2.gz DOKSLHGAFXYQFW-SFTDATJTSA-N 1 1 363.461 3.059 20 30 FGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000489396447 502947335 /nfs/dbraw/zinc/94/73/35/502947335.db2.gz GHTZAEQTLGKTHY-GOSISDBHSA-N 1 1 352.482 3.146 20 30 FGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000489396447 502947339 /nfs/dbraw/zinc/94/73/39/502947339.db2.gz GHTZAEQTLGKTHY-GOSISDBHSA-N 1 1 352.482 3.146 20 30 FGEDMO C=C[C@H]1CCCCN1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000489406082 502949533 /nfs/dbraw/zinc/94/95/33/502949533.db2.gz REMAJDLNYQOIBQ-NRFANRHFSA-N 1 1 355.526 3.070 20 30 FGEDMO CN(CC(C)(C)C#N)C(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000497447802 502962648 /nfs/dbraw/zinc/96/26/48/502962648.db2.gz VRXOVAKYRAPNSW-GOSISDBHSA-N 1 1 367.415 3.449 20 30 FGEDMO C=C(CNC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1)c1ccccc1 ZINC000497560613 502988013 /nfs/dbraw/zinc/98/80/13/502988013.db2.gz UYZMJCTVCOKLHS-UHFFFAOYSA-N 1 1 350.466 3.371 20 30 FGEDMO N#C[C@@H]1C[N@@H+](Cc2ccc(F)c3cccnc23)C[C@@]12C(=O)Nc1ccccc12 ZINC000513665388 502994872 /nfs/dbraw/zinc/99/48/72/502994872.db2.gz DKXLCWLBVKNLET-IVZQSRNASA-N 1 1 372.403 3.219 20 30 FGEDMO N#C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)C[C@@]12C(=O)Nc1ccccc12 ZINC000513665388 502994876 /nfs/dbraw/zinc/99/48/76/502994876.db2.gz DKXLCWLBVKNLET-IVZQSRNASA-N 1 1 372.403 3.219 20 30 FGEDMO C=CCCCS(=O)(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489679554 503009592 /nfs/dbraw/zinc/00/95/92/503009592.db2.gz BAOXCIVXWSOMTF-DZFIZOCASA-N 1 1 350.528 3.029 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 ZINC000505963548 503021560 /nfs/dbraw/zinc/02/15/60/503021560.db2.gz BTNSHIITYMBXHJ-OAQYLSRUSA-N 1 1 373.497 3.016 20 30 FGEDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602909194 506348469 /nfs/dbraw/zinc/34/84/69/506348469.db2.gz ISKMUBFJQMFWOX-HNNXBMFYSA-N 1 1 364.449 3.168 20 30 FGEDMO CCOC(=O)C(C)(C)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000510091712 503047469 /nfs/dbraw/zinc/04/74/69/503047469.db2.gz HQYWMIUZXQTAHC-OAHLLOKOSA-N 1 1 371.481 3.187 20 30 FGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@H]2CCCOC2)c1C#N ZINC000510098071 503049248 /nfs/dbraw/zinc/04/92/48/503049248.db2.gz IWJHXUFYGKLRPJ-SFHVURJKSA-N 1 1 366.465 3.015 20 30 FGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@H]2CCCOC2)c1C#N ZINC000510098071 503049251 /nfs/dbraw/zinc/04/92/51/503049251.db2.gz IWJHXUFYGKLRPJ-SFHVURJKSA-N 1 1 366.465 3.015 20 30 FGEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000497837451 503051049 /nfs/dbraw/zinc/05/10/49/503051049.db2.gz TVGAGIQUEVFZQK-KRWDZBQOSA-N 1 1 363.502 3.124 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c(OC)c1 ZINC000510145053 503058592 /nfs/dbraw/zinc/05/85/92/503058592.db2.gz RPZOEKAWYFAOJF-MJGOQNOKSA-N 1 1 371.481 3.114 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c(OC)c1 ZINC000510145053 503058595 /nfs/dbraw/zinc/05/85/95/503058595.db2.gz RPZOEKAWYFAOJF-MJGOQNOKSA-N 1 1 371.481 3.114 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000514003992 503066260 /nfs/dbraw/zinc/06/62/60/503066260.db2.gz YONSBTYNRROFGP-NZQKXSOJSA-N 1 1 367.489 3.401 20 30 FGEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000510201349 503069653 /nfs/dbraw/zinc/06/96/53/503069653.db2.gz UATAHHPTIXJANE-MJGOQNOKSA-N 1 1 368.481 3.124 20 30 FGEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000510201349 503069658 /nfs/dbraw/zinc/06/96/58/503069658.db2.gz UATAHHPTIXJANE-MJGOQNOKSA-N 1 1 368.481 3.124 20 30 FGEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1nc2cccc(C)c2[nH]1)C(C)C ZINC000497951462 503074010 /nfs/dbraw/zinc/07/40/10/503074010.db2.gz QJKKEHZLFRUFFX-SFHVURJKSA-N 1 1 369.513 3.369 20 30 FGEDMO C=CCN(CCc1ccco1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000498145263 503117086 /nfs/dbraw/zinc/11/70/86/503117086.db2.gz KLIWSXIOCUIMAR-UHFFFAOYSA-N 1 1 353.466 3.078 20 30 FGEDMO C=CCOc1ccccc1C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000498154507 503119558 /nfs/dbraw/zinc/11/95/58/503119558.db2.gz YFFUZIBVNFOMDR-LJQANCHMSA-N 1 1 360.498 3.118 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC(C)(C)C#N ZINC000502012247 503126676 /nfs/dbraw/zinc/12/66/76/503126676.db2.gz DKHXEAUICDYYLB-VQIMIIECSA-N 1 1 356.514 3.389 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC(C)(C)C#N ZINC000502012247 503126679 /nfs/dbraw/zinc/12/66/79/503126679.db2.gz DKHXEAUICDYYLB-VQIMIIECSA-N 1 1 356.514 3.389 20 30 FGEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502162174 503153508 /nfs/dbraw/zinc/15/35/08/503153508.db2.gz CGUBCOLPZNCUOC-ROUUACIJSA-N 1 1 366.509 3.477 20 30 FGEDMO Cn1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490380497 503165315 /nfs/dbraw/zinc/16/53/15/503165315.db2.gz YQUOQGUZSAYDQA-OAQYLSRUSA-N 1 1 350.466 3.351 20 30 FGEDMO C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1=CC[N@@H+](C)CC1 ZINC000510743334 503183508 /nfs/dbraw/zinc/18/35/08/503183508.db2.gz RPQYMKQNQLRUKT-OAHLLOKOSA-N 1 1 365.433 3.110 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510946424 503223074 /nfs/dbraw/zinc/22/30/74/503223074.db2.gz BHICLWDIYIQYBK-AWEZNQCLSA-N 1 1 368.275 3.068 20 30 FGEDMO N#Cc1c(NC(=O)CC[NH+]2CCC(F)(C#N)CC2)sc2c1CCCC2 ZINC000510971742 503227687 /nfs/dbraw/zinc/22/76/87/503227687.db2.gz WFGGVSCHGPRWRX-UHFFFAOYSA-N 1 1 360.458 3.155 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000507176419 503243607 /nfs/dbraw/zinc/24/36/07/503243607.db2.gz BCKBQEKTCWXLQJ-KRWDZBQOSA-N 1 1 368.481 3.214 20 30 FGEDMO C=CCNC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccccc1OC ZINC000507219480 503252339 /nfs/dbraw/zinc/25/23/39/503252339.db2.gz PEDSTJNEEMVWIT-SFHVURJKSA-N 1 1 352.478 3.431 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1C ZINC000498931159 503296932 /nfs/dbraw/zinc/29/69/32/503296932.db2.gz YGOPMJWMWKLJES-IKGGRYGDSA-N 1 1 374.554 3.291 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000491397664 503303004 /nfs/dbraw/zinc/30/30/04/503303004.db2.gz QOPCZVLZDIHNSF-HXUWFJFHSA-N 1 1 372.440 3.049 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000491397664 503303010 /nfs/dbraw/zinc/30/30/10/503303010.db2.gz QOPCZVLZDIHNSF-HXUWFJFHSA-N 1 1 372.440 3.049 20 30 FGEDMO CC(C)(CCC#N)CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000502910080 503306070 /nfs/dbraw/zinc/30/60/70/503306070.db2.gz ABEOMMRGGCRSJS-SFHVURJKSA-N 1 1 374.554 3.233 20 30 FGEDMO CC(C)(CCC#N)CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000502910080 503306075 /nfs/dbraw/zinc/30/60/75/503306075.db2.gz ABEOMMRGGCRSJS-SFHVURJKSA-N 1 1 374.554 3.233 20 30 FGEDMO Cc1[nH+]ccn1CCN(Cc1ccc(C#N)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000499069401 503326537 /nfs/dbraw/zinc/32/65/37/503326537.db2.gz LYZOMBYTJMBAKL-UHFFFAOYSA-N 1 1 372.432 3.352 20 30 FGEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOc1cccc(C#N)c1 ZINC000503222594 503370712 /nfs/dbraw/zinc/37/07/12/503370712.db2.gz XJZJGXBTMBCARR-QGZVFWFLSA-N 1 1 351.450 3.088 20 30 FGEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000503222594 503370713 /nfs/dbraw/zinc/37/07/13/503370713.db2.gz XJZJGXBTMBCARR-QGZVFWFLSA-N 1 1 351.450 3.088 20 30 FGEDMO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000611937934 506368574 /nfs/dbraw/zinc/36/85/74/506368574.db2.gz BCIFZWVAWBQINU-NRFANRHFSA-N 1 1 362.477 3.314 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)COc1ccc(C#N)cc1 ZINC000499426212 503400462 /nfs/dbraw/zinc/40/04/62/503400462.db2.gz DQACOHQYBBXUBH-ZWKOTPCHSA-N 1 1 363.461 3.058 20 30 FGEDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)CO1 ZINC000593064338 506369662 /nfs/dbraw/zinc/36/96/62/506369662.db2.gz RYTWBFQIVBGXED-UONOGXRCSA-N 1 1 361.511 3.326 20 30 FGEDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)CO1 ZINC000593064338 506369673 /nfs/dbraw/zinc/36/96/73/506369673.db2.gz RYTWBFQIVBGXED-UONOGXRCSA-N 1 1 361.511 3.326 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503488765 503420544 /nfs/dbraw/zinc/42/05/44/503420544.db2.gz OOTKVUMYEIBEFF-ZDUSSCGKSA-N 1 1 369.918 3.000 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccc(C3CC3)cc2F)c1 ZINC000516051713 503437802 /nfs/dbraw/zinc/43/78/02/503437802.db2.gz ACGCFXVHCCCAEG-UHFFFAOYSA-N 1 1 358.438 3.138 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CC)Cc2ccccc2Br)C1=O ZINC000499637514 503447999 /nfs/dbraw/zinc/44/79/99/503447999.db2.gz QASCFQMLPHTZCM-DOTOQJQBSA-N 1 1 365.315 3.489 20 30 FGEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CCCOc1ccc(C#N)cc1OC ZINC000499695768 503459355 /nfs/dbraw/zinc/45/93/55/503459355.db2.gz GUISYTOYNLLQOU-SFHVURJKSA-N 1 1 373.497 3.107 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)C1=O ZINC000499705358 503462385 /nfs/dbraw/zinc/46/23/85/503462385.db2.gz JUEVHECXNWHQIJ-LRDDRELGSA-N 1 1 357.281 3.479 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3nc4c(cc3C#N)CCC4)c2)CCO1 ZINC000516362118 503501362 /nfs/dbraw/zinc/50/13/62/503501362.db2.gz IRWMZRYGQUCLJB-MRXNPFEDSA-N 1 1 362.477 3.275 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3nc4c(cc3C#N)CCC4)c2)CCO1 ZINC000516362118 503501364 /nfs/dbraw/zinc/50/13/64/503501364.db2.gz IRWMZRYGQUCLJB-MRXNPFEDSA-N 1 1 362.477 3.275 20 30 FGEDMO C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508482329 503503257 /nfs/dbraw/zinc/50/32/57/503503257.db2.gz CUZMVXXRYUVMRR-IXDOHACOSA-N 1 1 355.482 3.189 20 30 FGEDMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000516467309 503516468 /nfs/dbraw/zinc/51/64/68/503516468.db2.gz JMHKXXMGAYQKKO-UHFFFAOYSA-N 1 1 362.882 3.489 20 30 FGEDMO Cc1[nH+]ccn1CCCOc1cc(C#N)ccc1I ZINC000499994273 503529528 /nfs/dbraw/zinc/52/95/28/503529528.db2.gz FKJOHUGHIYPPMK-UHFFFAOYSA-N 1 1 367.190 3.137 20 30 FGEDMO C[C@H](CC#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC000599222452 506377500 /nfs/dbraw/zinc/37/75/00/506377500.db2.gz ZJLBSLALSWWKJE-JMUQELJHSA-N 1 1 361.489 3.495 20 30 FGEDMO C=CCn1c(C2CC2)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508678794 503542027 /nfs/dbraw/zinc/54/20/27/503542027.db2.gz FUMYNLNDKJHCOI-GOSISDBHSA-N 1 1 351.498 3.300 20 30 FGEDMO N#Cc1ccnc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000500060336 503542634 /nfs/dbraw/zinc/54/26/34/503542634.db2.gz PLBVMYRQPBNWNL-QFIPXVFZSA-N 1 1 360.461 3.082 20 30 FGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000512432828 503549063 /nfs/dbraw/zinc/54/90/63/503549063.db2.gz ILVFUUOGZLTHMF-JXFKEZNVSA-N 1 1 352.482 3.474 20 30 FGEDMO C=CCn1c(C2CCC2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508728368 503552280 /nfs/dbraw/zinc/55/22/80/503552280.db2.gz ACZFMTUXKARWJH-CALCHBBNSA-N 1 1 373.545 3.057 20 30 FGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)COc1ccccc1F ZINC000512512743 503574396 /nfs/dbraw/zinc/57/43/96/503574396.db2.gz ZJELAHWFAICFPR-GOSISDBHSA-N 1 1 361.461 3.421 20 30 FGEDMO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000500229939 503583197 /nfs/dbraw/zinc/58/31/97/503583197.db2.gz NDQPZWRRZKKMSA-IRLDBZIGSA-N 1 1 350.462 3.352 20 30 FGEDMO C=CCOc1cccc(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000512667187 503608337 /nfs/dbraw/zinc/60/83/37/503608337.db2.gz BEEIQJCGSXNVCU-BGYRXZFFSA-N 1 1 357.542 3.242 20 30 FGEDMO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512826672 503640632 /nfs/dbraw/zinc/64/06/32/503640632.db2.gz FUAFBECPFVUELU-DNVCBOLYSA-N 1 1 373.472 3.235 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](COC(F)F)C2)cc1Cl ZINC000512842596 503643932 /nfs/dbraw/zinc/64/39/32/503643932.db2.gz AZGWTWKWCZQJPS-NSHDSACASA-N 1 1 357.788 3.101 20 30 FGEDMO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000517136138 503652310 /nfs/dbraw/zinc/65/23/10/503652310.db2.gz UTTYWOKRJFFYOD-CBGDNZLLSA-N 1 1 369.509 3.485 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)c(C#N)c1C ZINC000532949800 503671452 /nfs/dbraw/zinc/67/14/52/503671452.db2.gz HWTRKSPUXAQDJF-OAHLLOKOSA-N 1 1 360.502 3.147 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)O)c1C#N ZINC000532957805 503676039 /nfs/dbraw/zinc/67/60/39/503676039.db2.gz DTCMWIZFNVSJHD-QFBILLFUSA-N 1 1 372.513 3.266 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)O)c1C#N ZINC000532957805 503676045 /nfs/dbraw/zinc/67/60/45/503676045.db2.gz DTCMWIZFNVSJHD-QFBILLFUSA-N 1 1 372.513 3.266 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000517216987 503677994 /nfs/dbraw/zinc/67/79/94/503677994.db2.gz DFULJQOSZRHUJG-NXHRZFHOSA-N 1 1 373.522 3.256 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000533052719 503715135 /nfs/dbraw/zinc/71/51/35/503715135.db2.gz NDOQWGGFAZIBRO-RVKKMQEKSA-N 1 1 374.916 3.487 20 30 FGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@@H](C(N)=O)c4ccc(C#N)cc4)C3)nc2c1 ZINC000540320044 503735493 /nfs/dbraw/zinc/73/54/93/503735493.db2.gz XWNHCMMDALBMMY-FXAWDEMLSA-N 1 1 373.460 3.149 20 30 FGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@@H](C(N)=O)c4ccc(C#N)cc4)C3)nc2c1 ZINC000540320044 503735498 /nfs/dbraw/zinc/73/54/98/503735498.db2.gz XWNHCMMDALBMMY-FXAWDEMLSA-N 1 1 373.460 3.149 20 30 FGEDMO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@@H](C(N)=O)c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000540320044 503735501 /nfs/dbraw/zinc/73/55/01/503735501.db2.gz XWNHCMMDALBMMY-FXAWDEMLSA-N 1 1 373.460 3.149 20 30 FGEDMO Cc1ccc2nc([C@H]3CCC[N@H+]([C@@H](C(N)=O)c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000540320044 503735507 /nfs/dbraw/zinc/73/55/07/503735507.db2.gz XWNHCMMDALBMMY-FXAWDEMLSA-N 1 1 373.460 3.149 20 30 FGEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000540328706 503738311 /nfs/dbraw/zinc/73/83/11/503738311.db2.gz RVBLIMPCBHTUKL-INIZCTEOSA-N 1 1 372.490 3.470 20 30 FGEDMO N#Cc1cc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1F ZINC000527322869 503765349 /nfs/dbraw/zinc/76/53/49/503765349.db2.gz BOLKWGLDRUZLQQ-HDICACEKSA-N 1 1 364.424 3.293 20 30 FGEDMO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000517620215 503787567 /nfs/dbraw/zinc/78/75/67/503787567.db2.gz UIBHAWRJFJHJIK-KSZLIROESA-N 1 1 357.498 3.185 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530025738 503798081 /nfs/dbraw/zinc/79/80/81/503798081.db2.gz QYAVLIZGQHQJMQ-ICSRJNTNSA-N 1 1 355.482 3.095 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(NCc3ccc(C#N)cc3F)cc2)CC1 ZINC000533312302 503804309 /nfs/dbraw/zinc/80/43/09/503804309.db2.gz RECNIBHLUWPWAY-UHFFFAOYSA-N 1 1 352.457 3.447 20 30 FGEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000537168517 503826141 /nfs/dbraw/zinc/82/61/41/503826141.db2.gz XUHPRIOXFRMBDG-INIZCTEOSA-N 1 1 371.506 3.350 20 30 FGEDMO C[C@@H](O)C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000533431933 503842768 /nfs/dbraw/zinc/84/27/68/503842768.db2.gz ROKBCKFAPNOJFO-MRXNPFEDSA-N 1 1 369.490 3.124 20 30 FGEDMO C[C@@H](O)C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1ccccc1 ZINC000533431933 503842770 /nfs/dbraw/zinc/84/27/70/503842770.db2.gz ROKBCKFAPNOJFO-MRXNPFEDSA-N 1 1 369.490 3.124 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000546707110 503845819 /nfs/dbraw/zinc/84/58/19/503845819.db2.gz ALSIXQDQJACWAQ-GDBMZVCRSA-N 1 1 356.470 3.341 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C#N)c1C ZINC000533512390 503871669 /nfs/dbraw/zinc/87/16/69/503871669.db2.gz GWEROYXMEAVZNG-JSSFPYSZSA-N 1 1 372.513 3.432 20 30 FGEDMO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccc(OC)c(C#N)c2)c1 ZINC000533538504 503880094 /nfs/dbraw/zinc/88/00/94/503880094.db2.gz CKBSZBXAOVEZSN-UHFFFAOYSA-N 1 1 370.449 3.485 20 30 FGEDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccc(OC)c(C#N)c3)CC2)c1 ZINC000533538685 503880684 /nfs/dbraw/zinc/88/06/84/503880684.db2.gz IAJRBOZEITUYHX-QGZVFWFLSA-N 1 1 365.477 3.454 20 30 FGEDMO N#Cc1cccc(N2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000546918410 503925788 /nfs/dbraw/zinc/92/57/88/503925788.db2.gz ZULUBCRDSVNDKV-UHFFFAOYSA-N 1 1 362.355 3.174 20 30 FGEDMO CC1(C)C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000527748053 503927016 /nfs/dbraw/zinc/92/70/16/503927016.db2.gz ZKDGTVNNYLETTO-IBGZPJMESA-N 1 1 369.509 3.186 20 30 FGEDMO CC1(C)C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000527748053 503927019 /nfs/dbraw/zinc/92/70/19/503927019.db2.gz ZKDGTVNNYLETTO-IBGZPJMESA-N 1 1 369.509 3.186 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000533865819 503975085 /nfs/dbraw/zinc/97/50/85/503975085.db2.gz CCIKZZWKRHMTST-LJQANCHMSA-N 1 1 373.460 3.401 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000530500095 503988203 /nfs/dbraw/zinc/98/82/03/503988203.db2.gz PZKRTRWVRNKLOJ-GOSISDBHSA-N 1 1 352.434 3.034 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000530500095 503988206 /nfs/dbraw/zinc/98/82/06/503988206.db2.gz PZKRTRWVRNKLOJ-GOSISDBHSA-N 1 1 352.434 3.034 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000528025276 504044696 /nfs/dbraw/zinc/04/46/96/504044696.db2.gz JNBFSKGFXDTIMV-ACRUOGEOSA-N 1 1 371.525 3.130 20 30 FGEDMO C=CCOc1cccnc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000541271200 504069054 /nfs/dbraw/zinc/06/90/54/504069054.db2.gz MFMJDPVAYZSOHR-UHFFFAOYSA-N 1 1 358.467 3.122 20 30 FGEDMO C=CCOc1cccnc1C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000541271200 504069058 /nfs/dbraw/zinc/06/90/58/504069058.db2.gz MFMJDPVAYZSOHR-UHFFFAOYSA-N 1 1 358.467 3.122 20 30 FGEDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000518925068 504094883 /nfs/dbraw/zinc/09/48/83/504094883.db2.gz WNPSQFISSWBBPD-UHFFFAOYSA-N 1 1 361.405 3.071 20 30 FGEDMO C=C(C)[C@H](CC(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1)OCC ZINC000534403211 504132584 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ZINC000541949002 504312293 /nfs/dbraw/zinc/31/22/93/504312293.db2.gz PNEKJEJFDMYJFP-IBGZPJMESA-N 1 1 369.440 3.012 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)[C@H](C)C1 ZINC000538683942 504326022 /nfs/dbraw/zinc/32/60/22/504326022.db2.gz MYNPYDHEUQCQPP-RDTXWAMCSA-N 1 1 363.889 3.078 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1C ZINC000531548015 504343133 /nfs/dbraw/zinc/34/31/33/504343133.db2.gz VKHTZWFKZWUSNP-ICSRJNTNSA-N 1 1 355.482 3.051 20 30 FGEDMO CC(=O)N1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@H](C)C1 ZINC000538728076 504346637 /nfs/dbraw/zinc/34/66/37/504346637.db2.gz SYSKEOXRXVQWDY-QGZVFWFLSA-N 1 1 363.461 3.190 20 30 FGEDMO CC(=O)N1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@H](C)C1 ZINC000538728076 504346642 /nfs/dbraw/zinc/34/66/42/504346642.db2.gz SYSKEOXRXVQWDY-QGZVFWFLSA-N 1 1 363.461 3.190 20 30 FGEDMO COc1cccc(C[C@@H]2CCCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000528749582 504363621 /nfs/dbraw/zinc/36/36/21/504363621.db2.gz LYKQYJPGXNGLOP-UGKGYDQZSA-N 1 1 369.509 3.291 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ccc(Br)cc2C#N)C1 ZINC000542103617 504365495 /nfs/dbraw/zinc/36/54/95/504365495.db2.gz UADRTUDSBIYJSP-HNNXBMFYSA-N 1 1 352.276 3.089 20 30 FGEDMO O=c1ccc([C@H]2CCC[N@H+]2CC#Cc2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000528793585 504384200 /nfs/dbraw/zinc/38/42/00/504384200.db2.gz NZHQEWWKZQLCDX-MRXNPFEDSA-N 1 1 363.339 3.269 20 30 FGEDMO O=c1ccc([C@H]2CCC[N@@H+]2CC#Cc2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000528793585 504384205 /nfs/dbraw/zinc/38/42/05/504384205.db2.gz NZHQEWWKZQLCDX-MRXNPFEDSA-N 1 1 363.339 3.269 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000520170372 504424204 /nfs/dbraw/zinc/42/42/04/504424204.db2.gz PLWHNQCYBAEPOT-HNNXBMFYSA-N 1 1 357.479 3.323 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000520170372 504424209 /nfs/dbraw/zinc/42/42/09/504424209.db2.gz PLWHNQCYBAEPOT-HNNXBMFYSA-N 1 1 357.479 3.323 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000545296820 504433406 /nfs/dbraw/zinc/43/34/06/504433406.db2.gz XWUONUIAPPVOSO-CRAIPNDOSA-N 1 1 364.449 3.351 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000520249186 504446851 /nfs/dbraw/zinc/44/68/51/504446851.db2.gz QUQUTOSWIZEOBD-FQEVSTJZSA-N 1 1 350.462 3.339 20 30 FGEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528939068 504460685 /nfs/dbraw/zinc/46/06/85/504460685.db2.gz KLVGYCQLHBDRNL-KRWDZBQOSA-N 1 1 356.470 3.484 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000532097870 504533578 /nfs/dbraw/zinc/53/35/78/504533578.db2.gz XJJGTLBXFSTKRI-CABCVRRESA-N 1 1 365.880 3.494 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000532097870 504533581 /nfs/dbraw/zinc/53/35/81/504533581.db2.gz XJJGTLBXFSTKRI-CABCVRRESA-N 1 1 365.880 3.494 20 30 FGEDMO C=CCOc1cccnc1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000539337847 504534315 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Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](CC(C)(C)CCC#N)CC2)c1 ZINC000539818699 504700506 /nfs/dbraw/zinc/70/05/06/504700506.db2.gz HHXHFBZDLHKVNY-GOSISDBHSA-N 1 1 357.498 3.237 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC000529503448 504702085 /nfs/dbraw/zinc/70/20/85/504702085.db2.gz VDGOATNFHYAQKK-CBPXPLCBSA-N 1 1 370.537 3.488 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000536347523 504705450 /nfs/dbraw/zinc/70/54/50/504705450.db2.gz DWFICMBNPUFDAK-OAQYLSRUSA-N 1 1 367.489 3.264 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)ccc1OC ZINC000539840905 504713468 /nfs/dbraw/zinc/71/34/68/504713468.db2.gz LAWPWSKXJUFETA-FQEVSTJZSA-N 1 1 374.525 3.337 20 30 FGEDMO C=CCc1cc(C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)cc(OC)c1O ZINC000539849891 504716396 /nfs/dbraw/zinc/71/63/96/504716396.db2.gz FJQFEVHUEDNGCP-OALUTQOASA-N 1 1 360.498 3.351 20 30 FGEDMO C=CCc1cc(C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)cc(OC)c1O ZINC000539849891 504716398 /nfs/dbraw/zinc/71/63/98/504716398.db2.gz FJQFEVHUEDNGCP-OALUTQOASA-N 1 1 360.498 3.351 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]3CCOC3)C1)CCC2 ZINC000532747766 504750868 /nfs/dbraw/zinc/75/08/68/504750868.db2.gz DRUNHACDAVNDJZ-CABCVRRESA-N 1 1 373.522 3.186 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000532747212 504751212 /nfs/dbraw/zinc/75/12/12/504751212.db2.gz LMXDLYCWJMSLNJ-VZLAHBCRSA-N 1 1 361.530 3.054 20 30 FGEDMO CC(C)C[C@@H](CNc1nc2cc(Cl)ccn2c1C#N)[NH+]1CCOCC1 ZINC000552906840 504786103 /nfs/dbraw/zinc/78/61/03/504786103.db2.gz CHZNBJYFNZQURY-HNNXBMFYSA-N 1 1 361.877 3.018 20 30 FGEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000549342656 504796139 /nfs/dbraw/zinc/79/61/39/504796139.db2.gz QNPARTBUHOXOMN-BBRMVZONSA-N 1 1 351.372 3.155 20 30 FGEDMO C=CCOc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000553053217 504815030 /nfs/dbraw/zinc/81/50/30/504815030.db2.gz NQDXOEXFJHCCLG-KRWDZBQOSA-N 1 1 350.462 3.314 20 30 FGEDMO C=CCOc1ccc(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000553053217 504815033 /nfs/dbraw/zinc/81/50/33/504815033.db2.gz NQDXOEXFJHCCLG-KRWDZBQOSA-N 1 1 350.462 3.314 20 30 FGEDMO C[C@@H](c1ccc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1)C(F)(F)F ZINC000556249173 504828528 /nfs/dbraw/zinc/82/85/28/504828528.db2.gz QUWPRRSFOAHEJE-LBPRGKRZSA-N 1 1 365.403 3.424 20 30 FGEDMO N#CCCOCC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000549464093 504828897 /nfs/dbraw/zinc/82/88/97/504828897.db2.gz HGSCCKNDMVDWHT-HNNXBMFYSA-N 1 1 370.234 3.358 20 30 FGEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000549464093 504828904 /nfs/dbraw/zinc/82/89/04/504828904.db2.gz HGSCCKNDMVDWHT-HNNXBMFYSA-N 1 1 370.234 3.358 20 30 FGEDMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000565307085 504849789 /nfs/dbraw/zinc/84/97/89/504849789.db2.gz IEWNBKJJLKWSQO-IBGZPJMESA-N 1 1 359.433 3.305 20 30 FGEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549724301 504881555 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N#Cc1ccc(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000565743717 504974781 /nfs/dbraw/zinc/97/47/81/504974781.db2.gz NSLOLICOPLIRPO-IBGZPJMESA-N 1 1 366.534 3.012 20 30 FGEDMO CCOC(=O)C(C)(C)C1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000556815625 504983695 /nfs/dbraw/zinc/98/36/95/504983695.db2.gz FOIKKKUJJGSQLZ-UHFFFAOYSA-N 1 1 372.465 3.146 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CC=C(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000565791882 504988128 /nfs/dbraw/zinc/98/81/28/504988128.db2.gz ITDIPJYUMCHPDP-NRFANRHFSA-N 1 1 359.429 3.158 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC=C(c4ccc(O)cc4)CC3)C2=O)cc1 ZINC000565791882 504988133 /nfs/dbraw/zinc/98/81/33/504988133.db2.gz ITDIPJYUMCHPDP-NRFANRHFSA-N 1 1 359.429 3.158 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1ccc(F)c(C#N)c1)C1CC1 ZINC000560118911 504997635 /nfs/dbraw/zinc/99/76/35/504997635.db2.gz HDSGJQGBMVJICN-HXUWFJFHSA-N 1 1 351.425 3.338 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(C#N)ccc1Cl ZINC000556976415 505036003 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20 30 FGEDMO N#Cc1ccncc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000557517533 505154461 /nfs/dbraw/zinc/15/44/61/505154461.db2.gz LQZHIIWMCNBICS-GOSISDBHSA-N 1 1 354.841 3.174 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000551224293 505180755 /nfs/dbraw/zinc/18/07/55/505180755.db2.gz DFZWPNBLWDYBDG-UHFFFAOYSA-N 1 1 362.433 3.186 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000551344906 505205381 /nfs/dbraw/zinc/20/53/81/505205381.db2.gz ZCGMLZBHWGTZJP-YLJYHZDGSA-N 1 1 362.477 3.387 20 30 FGEDMO N#CCC1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000566597966 505217696 /nfs/dbraw/zinc/21/76/96/505217696.db2.gz FAPDAXGSCNNIBU-VQTJNVASSA-N 1 1 366.509 3.376 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)c(F)c1 ZINC000563772008 505234257 /nfs/dbraw/zinc/23/42/57/505234257.db2.gz XZYCMTYDGRRPGJ-MRXNPFEDSA-N 1 1 369.440 3.481 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)c(F)c1 ZINC000563772008 505234261 /nfs/dbraw/zinc/23/42/61/505234261.db2.gz XZYCMTYDGRRPGJ-MRXNPFEDSA-N 1 1 369.440 3.481 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000551691063 505283244 /nfs/dbraw/zinc/28/32/44/505283244.db2.gz PHHQWVPGTYHLAY-JOCHJYFZSA-N 1 1 369.509 3.031 20 30 FGEDMO C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000561306578 505310243 /nfs/dbraw/zinc/31/02/43/505310243.db2.gz DVNYKEJBUFLIKY-XHSDSOJGSA-N 1 1 373.472 3.328 20 30 FGEDMO Cc1nc(SCC(=O)NCC[N@H+](C)C2CCCCC2)c(C#N)c(C)c1C ZINC000551807867 505313914 /nfs/dbraw/zinc/31/39/14/505313914.db2.gz BUWGTLKVIZSOBN-UHFFFAOYSA-N 1 1 374.554 3.351 20 30 FGEDMO Cc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)ccc1-n1cncn1 ZINC000567026671 505342867 /nfs/dbraw/zinc/34/28/67/505342867.db2.gz NRTVBFQXLXNHOD-UHFFFAOYSA-N 1 1 361.449 3.096 20 30 FGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000552042600 505379204 /nfs/dbraw/zinc/37/92/04/505379204.db2.gz PCRNCVSCUOQEIU-UHFFFAOYSA-N 1 1 354.454 3.373 20 30 FGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000552042600 505379208 /nfs/dbraw/zinc/37/92/08/505379208.db2.gz PCRNCVSCUOQEIU-UHFFFAOYSA-N 1 1 354.454 3.373 20 30 FGEDMO N#Cc1cccc(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000555209572 505380583 /nfs/dbraw/zinc/38/05/83/505380583.db2.gz XQGNCRRVZHQCSL-YADHBBJMSA-N 1 1 359.473 3.081 20 30 FGEDMO Cn1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(-c2cccnc2)n1 ZINC000564326983 505385585 /nfs/dbraw/zinc/38/55/85/505385585.db2.gz YWSWBYQURLYKSK-UHFFFAOYSA-N 1 1 361.449 3.002 20 30 FGEDMO C=CCOc1ccc(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000564358492 505394720 /nfs/dbraw/zinc/39/47/20/505394720.db2.gz WAMYPLKJGXPEKA-UHFFFAOYSA-N 1 1 365.477 3.109 20 30 FGEDMO C=CCn1c(COCC)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000564386174 505403401 /nfs/dbraw/zinc/40/34/01/505403401.db2.gz BNZYKSVUAWLZNS-SFHVURJKSA-N 1 1 369.513 3.101 20 30 FGEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccccc1I 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C[C@@H]([NH2+][C@@H](C)c1cc(F)c(Br)cc1F)C(=O)N(C)CCC#N ZINC000599541368 506491408 /nfs/dbraw/zinc/49/14/08/506491408.db2.gz IRCNKCIJXCZFAA-VHSXEESVSA-N 1 1 374.229 3.138 20 30 FGEDMO N#Cc1c(F)cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1F ZINC000596648591 506507943 /nfs/dbraw/zinc/50/79/43/506507943.db2.gz CGJOLRCUJAGGBD-KRWDZBQOSA-N 1 1 359.376 3.386 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599585306 506510368 /nfs/dbraw/zinc/51/03/68/506510368.db2.gz FCWIYCMFFWOSOI-IXDOHACOSA-N 1 1 352.519 3.099 20 30 FGEDMO COc1ccc([C@H](C)[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000603464267 506521857 /nfs/dbraw/zinc/52/18/57/506521857.db2.gz SQYNKLCFVPCMKA-QFBILLFUSA-N 1 1 354.450 3.194 20 30 FGEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599621246 506533128 /nfs/dbraw/zinc/53/31/28/506533128.db2.gz HDZWMNPINUGCNL-MOPGFXCFSA-N 1 1 360.473 3.465 20 30 FGEDMO CC(C)(C#N)CNC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 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Cc1ccc(OC[C@H](O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(C)c1 ZINC000583226576 506659973 /nfs/dbraw/zinc/65/99/73/506659973.db2.gz KDIUTLQDHBWADF-OAQYLSRUSA-N 1 1 368.477 3.063 20 30 FGEDMO Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000593565380 506687044 /nfs/dbraw/zinc/68/70/44/506687044.db2.gz FJRDZSCVHLGSRU-UHFFFAOYSA-N 1 1 372.476 3.078 20 30 FGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000608784389 506709789 /nfs/dbraw/zinc/70/97/89/506709789.db2.gz LEXMSTDOCKUOOE-UXHICEINSA-N 1 1 350.462 3.290 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609110093 506778539 /nfs/dbraw/zinc/77/85/39/506778539.db2.gz XOYGDFSOAHCYNH-YLJYHZDGSA-N 1 1 368.525 3.154 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609164199 506800187 /nfs/dbraw/zinc/80/01/87/506800187.db2.gz IOUHLFFOUPCWEW-QGZVFWFLSA-N 1 1 352.482 3.407 20 30 FGEDMO C[N@@H+](CCNC(=O)c1occc1COc1cccc(C#N)c1)C1CCCC1 ZINC000609189906 506806886 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C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1OC ZINC000600203327 506841573 /nfs/dbraw/zinc/84/15/73/506841573.db2.gz UUDLVUPPPLJLAO-IYPVNNRCSA-N 1 1 369.914 3.399 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1OC ZINC000600203327 506841575 /nfs/dbraw/zinc/84/15/75/506841575.db2.gz UUDLVUPPPLJLAO-IYPVNNRCSA-N 1 1 369.914 3.399 20 30 FGEDMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600214828 506853306 /nfs/dbraw/zinc/85/33/06/506853306.db2.gz UVCVZECEBNOHGA-UHFFFAOYSA-N 1 1 352.434 3.337 20 30 FGEDMO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600214828 506853310 /nfs/dbraw/zinc/85/33/10/506853310.db2.gz UVCVZECEBNOHGA-UHFFFAOYSA-N 1 1 352.434 3.337 20 30 FGEDMO N#Cc1c(NC(=O)C[N@H+]2CCCCC[C@@H]2CO)sc2c1CCCCC2 ZINC000594016823 506885650 /nfs/dbraw/zinc/88/56/50/506885650.db2.gz JWJCPIWPAMUDTE-CQSZACIVSA-N 1 1 361.511 3.064 20 30 FGEDMO N#Cc1c(NC(=O)C[N@@H+]2CCCCC[C@@H]2CO)sc2c1CCCCC2 ZINC000594016823 506885659 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TVYVOVXQZJZOCC-SJORKVTESA-N 1 1 350.466 3.439 20 30 FGEDMO CC[C@H](OC1CCCC1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000609581380 506931190 /nfs/dbraw/zinc/93/11/90/506931190.db2.gz RPUYKWRJKDEHQD-NRFANRHFSA-N 1 1 369.509 3.330 20 30 FGEDMO CC[C@H](OC1CCCC1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000609581380 506931191 /nfs/dbraw/zinc/93/11/91/506931191.db2.gz RPUYKWRJKDEHQD-NRFANRHFSA-N 1 1 369.509 3.330 20 30 FGEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000583721437 506934572 /nfs/dbraw/zinc/93/45/72/506934572.db2.gz YRSZAZYDHPTZDL-LPHOPBHVSA-N 1 1 364.497 3.169 20 30 FGEDMO COc1cccc2c1C[N@@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000590760022 506941653 /nfs/dbraw/zinc/94/16/53/506941653.db2.gz HSYCMWNCELIIDC-FQEVSTJZSA-N 1 1 361.445 3.121 20 30 FGEDMO COc1cccc2c1C[N@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000590760022 506941660 /nfs/dbraw/zinc/94/16/60/506941660.db2.gz HSYCMWNCELIIDC-FQEVSTJZSA-N 1 1 361.445 3.121 20 30 FGEDMO CC(C)[N@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 ZINC000597426019 506946865 /nfs/dbraw/zinc/94/68/65/506946865.db2.gz IWCFOZHXFWQPOD-UHFFFAOYSA-N 1 1 364.497 3.147 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000613206116 506967250 /nfs/dbraw/zinc/96/72/50/506967250.db2.gz OTEXHJQACUUHIK-PXNSSMCTSA-N 1 1 372.472 3.415 20 30 FGEDMO N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594198944 507002476 /nfs/dbraw/zinc/00/24/76/507002476.db2.gz WBMSUTDINZZUQT-UXHICEINSA-N 1 1 355.482 3.240 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000613302103 507020029 /nfs/dbraw/zinc/02/00/29/507020029.db2.gz HMCDDHDZWGPBFX-UHFFFAOYSA-N 1 1 365.437 3.192 20 30 FGEDMO N#Cc1c(F)cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000597592367 507024376 /nfs/dbraw/zinc/02/43/76/507024376.db2.gz UWGURYYTRGXRID-OAHLLOKOSA-N 1 1 355.388 3.088 20 30 FGEDMO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000600611020 507032555 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C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@H]1CCc2ccccc21 ZINC000595875884 507721636 /nfs/dbraw/zinc/72/16/36/507721636.db2.gz CLACNAOZDDNNGJ-UXHICEINSA-N 1 1 350.462 3.154 20 30 FGEDMO CC[N@@H+](CCOc1ccccc1OC)CCC(=O)Nc1ccc(C#N)cc1 ZINC000595888125 507729441 /nfs/dbraw/zinc/72/94/41/507729441.db2.gz QVSCQCRVIQHHCM-UHFFFAOYSA-N 1 1 367.449 3.296 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC1=CCSC1 ZINC000595895932 507732418 /nfs/dbraw/zinc/73/24/18/507732418.db2.gz WOQSPIFRKKJZNW-UHFFFAOYSA-N 1 1 361.536 3.432 20 30 FGEDMO C=CCC[C@H](C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1)c1ccccc1 ZINC000615085737 507745906 /nfs/dbraw/zinc/74/59/06/507745906.db2.gz IJNWIRQSDIBYQI-NQIIRXRSSA-N 1 1 356.510 3.448 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cccc(C#N)n1 ZINC000592661650 507751656 /nfs/dbraw/zinc/75/16/56/507751656.db2.gz KIJLIGFEZJNDOE-MRXNPFEDSA-N 1 1 364.449 3.459 20 30 FGEDMO C=CC[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1OC)Cc1cccs1 ZINC000735418852 598979621 /nfs/dbraw/zinc/97/96/21/598979621.db2.gz KGBLNAXUSVGUDY-UHFFFAOYSA-N 1 1 371.466 3.004 20 30 FGEDMO CC[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000736559060 598679539 /nfs/dbraw/zinc/67/95/39/598679539.db2.gz UGERNTNZADVVNV-CYBMUJFWSA-N 1 1 350.401 3.461 20 30 FGEDMO C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722609 601043579 /nfs/dbraw/zinc/04/35/79/601043579.db2.gz FZRVWQOVGPQRTD-CTNGQTDRSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722609 601043582 /nfs/dbraw/zinc/04/35/82/601043582.db2.gz FZRVWQOVGPQRTD-CTNGQTDRSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722609 601043584 /nfs/dbraw/zinc/04/35/84/601043584.db2.gz FZRVWQOVGPQRTD-CTNGQTDRSA-N 1 1 363.461 3.138 20 30 FGEDMO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826930446 601300509 /nfs/dbraw/zinc/30/05/09/601300509.db2.gz PJNBEWPETDPTGW-FQEVSTJZSA-N 1 1 351.450 3.314 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257488 601317188 /nfs/dbraw/zinc/31/71/88/601317188.db2.gz DGJOBAIOXJNXEG-POAQFYNOSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257488 601317190 /nfs/dbraw/zinc/31/71/90/601317190.db2.gz DGJOBAIOXJNXEG-POAQFYNOSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257488 601317193 /nfs/dbraw/zinc/31/71/93/601317193.db2.gz DGJOBAIOXJNXEG-POAQFYNOSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257488 601317196 /nfs/dbraw/zinc/31/71/96/601317196.db2.gz DGJOBAIOXJNXEG-POAQFYNOSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H](CC[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000827412924 601348248 /nfs/dbraw/zinc/34/82/48/601348248.db2.gz VCOSWXAXXOEXSV-OXJNMPFZSA-N 1 1 351.450 3.184 20 30 FGEDMO C[C@@H](CC[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000827412924 601348251 /nfs/dbraw/zinc/34/82/51/601348251.db2.gz VCOSWXAXXOEXSV-OXJNMPFZSA-N 1 1 351.450 3.184 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000822801388 606452256 /nfs/dbraw/zinc/45/22/56/606452256.db2.gz IILORAJHIXUMNX-OALUTQOASA-N 1 1 362.412 3.278 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000822801388 606452258 /nfs/dbraw/zinc/45/22/58/606452258.db2.gz IILORAJHIXUMNX-OALUTQOASA-N 1 1 362.412 3.278 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000823909940 608353463 /nfs/dbraw/zinc/35/34/63/608353463.db2.gz SSFFLIAJBANMRO-UHFFFAOYSA-N 1 1 365.437 3.072 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000823909940 608353465 /nfs/dbraw/zinc/35/34/65/608353465.db2.gz SSFFLIAJBANMRO-UHFFFAOYSA-N 1 1 365.437 3.072 20 30 FGEDMO Fc1ccc(C#CC[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826373620 608466928 /nfs/dbraw/zinc/46/69/28/608466928.db2.gz TUBQUPLAPATHSW-UHFFFAOYSA-N 1 1 359.408 3.147 20 30 FGEDMO Fc1ccc(C#CC[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826373620 608466929 /nfs/dbraw/zinc/46/69/29/608466929.db2.gz TUBQUPLAPATHSW-UHFFFAOYSA-N 1 1 359.408 3.147 20 30 FGEDMO CCCC(N)=[NH+]OCc1noc(Cc2ccc(Br)cc2)n1 ZINC000111178522 700546457 /nfs/dbraw/zinc/54/64/57/700546457.db2.gz OWDRVGPQYOGUGF-UHFFFAOYSA-N 1 1 353.220 3.012 20 30 FGEDMO C=CCCCCC[N@@H+](C)Cn1nc(C(=O)OC)c(Br)c1C ZINC000131387798 700814425 /nfs/dbraw/zinc/81/44/25/700814425.db2.gz DLIGVUQLRRUYKT-UHFFFAOYSA-N 1 1 358.280 3.376 20 30 FGEDMO C=CCCCCC[N@H+](C)Cn1nc(C(=O)OC)c(Br)c1C ZINC000131387798 700814426 /nfs/dbraw/zinc/81/44/26/700814426.db2.gz DLIGVUQLRRUYKT-UHFFFAOYSA-N 1 1 358.280 3.376 20 30 FGEDMO C=CCn1c(C)nn(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1=S ZINC000152023455 704946537 /nfs/dbraw/zinc/94/65/37/704946537.db2.gz UCXOPZPGLASKPR-FUHWJXTLSA-N 1 1 363.575 3.452 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000178002315 705649896 /nfs/dbraw/zinc/64/98/96/705649896.db2.gz RAUCKUYEZAHATN-SFHVURJKSA-N 1 1 357.251 3.412 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000178002315 705649901 /nfs/dbraw/zinc/64/99/01/705649901.db2.gz RAUCKUYEZAHATN-SFHVURJKSA-N 1 1 357.251 3.412 20 30 FGEDMO COC[C@H]1CCCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000375106383 713967935 /nfs/dbraw/zinc/96/79/35/713967935.db2.gz ULBYLDFCBGYGLU-INIZCTEOSA-N 1 1 363.889 3.335 20 30 FGEDMO N#Cc1ncc(C(F)(F)F)cc1N1CC[NH+](Cc2cccs2)CC1 ZINC000413026125 714001389 /nfs/dbraw/zinc/00/13/89/714001389.db2.gz IINQPFDBNHXVLB-UHFFFAOYSA-N 1 1 352.385 3.356 20 30 FGEDMO C=CCOc1c(Br)cc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414909069 714005544 /nfs/dbraw/zinc/00/55/44/714005544.db2.gz BVZJGXWYWLPTKW-KGLIPLIRSA-N 1 1 369.303 3.382 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000524633166 714292937 /nfs/dbraw/zinc/29/29/37/714292937.db2.gz GAADYOCXFPQQBG-YJBOKZPZSA-N 1 1 362.905 3.496 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000524633166 714292939 /nfs/dbraw/zinc/29/29/39/714292939.db2.gz GAADYOCXFPQQBG-YJBOKZPZSA-N 1 1 362.905 3.496 20 30 FGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000618806784 714780016 /nfs/dbraw/zinc/78/00/16/714780016.db2.gz SHJMQSLIWCBXHN-ROUUACIJSA-N 1 1 356.422 3.193 20 30 FGEDMO C[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000619780044 714870374 /nfs/dbraw/zinc/87/03/74/714870374.db2.gz APEZCQZCCDUDHK-AWEZNQCLSA-N 1 1 353.853 3.275 20 30 FGEDMO C[C@@H](C(=O)NCc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000619780044 714870377 /nfs/dbraw/zinc/87/03/77/714870377.db2.gz APEZCQZCCDUDHK-AWEZNQCLSA-N 1 1 353.853 3.275 20 30 FGEDMO C#CCOc1ccccc1C[N@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000802653138 724397860 /nfs/dbraw/zinc/39/78/60/724397860.db2.gz OTOHVSBDJYDODA-UHFFFAOYSA-N 1 1 356.491 3.207 20 30 FGEDMO C#CCOc1ccccc1C[N@@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000802653138 724397861 /nfs/dbraw/zinc/39/78/61/724397861.db2.gz OTOHVSBDJYDODA-UHFFFAOYSA-N 1 1 356.491 3.207 20 30 FGEDMO COc1cc(C=NNc2cc[nH+]cc2)cc(Br)c1OC(F)F ZINC000779808100 724428213 /nfs/dbraw/zinc/42/82/13/724428213.db2.gz CMRFKLNKIGQUTG-UHFFFAOYSA-N 1 1 372.169 3.322 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)CCNC(=O)C(C)C)cc1OC ZINC000628191939 716123225 /nfs/dbraw/zinc/12/32/25/716123225.db2.gz ZMWUNKFCGCVBIJ-UHFFFAOYSA-N 1 1 354.878 3.117 20 30 FGEDMO C#C[C@H]([NH2+][C@H](C)c1ccccc1I)[C@H]1CCCO1 ZINC000775571929 724001890 /nfs/dbraw/zinc/00/18/90/724001890.db2.gz MZEQLWNBELXSBJ-BYCMXARLSA-N 1 1 355.219 3.123 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780555240 724478839 /nfs/dbraw/zinc/47/88/39/724478839.db2.gz FESREAAISZHUGI-UHFFFAOYSA-N 1 1 356.223 3.018 20 30 FGEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000649475392 718519067 /nfs/dbraw/zinc/51/90/67/718519067.db2.gz AEKHZUAFFWZHLK-UHFFFAOYSA-N 1 1 362.520 3.377 20 30 FGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000649475392 718519070 /nfs/dbraw/zinc/51/90/70/718519070.db2.gz AEKHZUAFFWZHLK-UHFFFAOYSA-N 1 1 362.520 3.377 20 30 FGEDMO C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000656985610 719534204 /nfs/dbraw/zinc/53/42/04/719534204.db2.gz WRVSNJLCZICYHR-ZDUSSCGKSA-N 1 1 368.275 3.230 20 30 FGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C(C)C)ccc1C#N)C2 ZINC001164806352 720079890 /nfs/dbraw/zinc/07/98/90/720079890.db2.gz BPAKAAYMCYAMSX-SIKLNZKXSA-N 1 1 368.525 3.261 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](CCF)C2)c(OC)c1 ZINC000661696825 720304592 /nfs/dbraw/zinc/30/45/92/720304592.db2.gz MSLRMDIONOZNII-ZWKOTPCHSA-N 1 1 351.462 3.235 20 30 FGEDMO C=CC[N@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)C(C)(C)C ZINC000661760699 720315325 /nfs/dbraw/zinc/31/53/25/720315325.db2.gz WZAZGDQJRYZNOC-UHFFFAOYSA-N 1 1 350.459 3.328 20 30 FGEDMO C=CCOCCNC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000667605225 721137354 /nfs/dbraw/zinc/13/73/54/721137354.db2.gz BPBJDMNBDIPXLK-UHFFFAOYSA-N 1 1 360.483 3.215 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C2(CO)CCC2)cc1OC ZINC000668802788 721361747 /nfs/dbraw/zinc/36/17/47/721361747.db2.gz YCBLKHUXTBGTRQ-UHFFFAOYSA-N 1 1 370.287 3.369 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000783543854 724763392 /nfs/dbraw/zinc/76/33/92/724763392.db2.gz RQOVFARBQRGGRH-UHFFFAOYSA-N 1 1 358.791 3.320 20 30 FGEDMO CC(=NNCC[NH+]1CCCCC1)c1cc(Br)cc(F)c1O ZINC000783827701 724794077 /nfs/dbraw/zinc/79/40/77/724794077.db2.gz PPFYNWGJNFSVRO-UHFFFAOYSA-N 1 1 358.255 3.093 20 30 FGEDMO N#Cc1cnc(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994325 722195953 /nfs/dbraw/zinc/19/59/53/722195953.db2.gz NDXLXEHUBDQNJE-LJQANCHMSA-N 1 1 371.847 3.386 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H](O)C2CC2)cc1OC ZINC000685460863 722386337 /nfs/dbraw/zinc/38/63/37/722386337.db2.gz FSIXRKKQFXVRPY-OAHLLOKOSA-N 1 1 370.287 3.225 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731499229 722475945 /nfs/dbraw/zinc/47/59/45/722475945.db2.gz VQPRDWVPBVEDHJ-OAHLLOKOSA-N 1 1 358.324 3.239 20 30 FGEDMO C=C(C)CNC(=S)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903572 722502097 /nfs/dbraw/zinc/50/20/97/722502097.db2.gz GUXVZSMADIUWIY-HNNXBMFYSA-N 1 1 357.445 3.320 20 30 FGEDMO COc1ccc([C@H]2[C@H](COC(=O)c3sccc3C#N)CC[N@H+]2C)cc1 ZINC000741120561 722542698 /nfs/dbraw/zinc/54/26/98/722542698.db2.gz IAYGTSANWCWZSE-RDJZCZTQSA-N 1 1 356.447 3.478 20 30 FGEDMO CCc1cnc(N2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)s1 ZINC000743853908 722571930 /nfs/dbraw/zinc/57/19/30/722571930.db2.gz IZLVQIFAYCTQDD-UHFFFAOYSA-N 1 1 356.495 3.168 20 30 FGEDMO CC[C@@H]1C[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCS1 ZINC000744424718 722576840 /nfs/dbraw/zinc/57/68/40/722576840.db2.gz RBBKZHIIGLNNJL-CABCVRRESA-N 1 1 352.463 3.051 20 30 FGEDMO Clc1ccc(Cl)c2c1OCCC2=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753936639 722919241 /nfs/dbraw/zinc/91/92/41/722919241.db2.gz AEHZCFOPYPEHFC-TXEJJXNPSA-N 1 1 353.253 3.340 20 30 FGEDMO C=CCNC(=S)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000754089333 722926846 /nfs/dbraw/zinc/92/68/46/722926846.db2.gz JJYQVMWPBYMQDG-UHFFFAOYSA-N 1 1 357.445 3.274 20 30 FGEDMO Oc1ccc(Br)cc1/C=N/[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000763098450 723312108 /nfs/dbraw/zinc/31/21/08/723312108.db2.gz WZOMLJGGJHOKPP-KIHYJURLSA-N 1 1 367.287 3.217 20 30 FGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000794579226 723532981 /nfs/dbraw/zinc/53/29/81/723532981.db2.gz TYVZMJHEKLYTLB-UHFFFAOYSA-N 1 1 355.463 3.283 20 30 FGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000794579226 723532983 /nfs/dbraw/zinc/53/29/83/723532983.db2.gz TYVZMJHEKLYTLB-UHFFFAOYSA-N 1 1 355.463 3.283 20 30 FGEDMO C=CCN(C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C(C)C ZINC000767189760 723610126 /nfs/dbraw/zinc/61/01/26/723610126.db2.gz NQBQNHJBPCLIEN-UHFFFAOYSA-N 1 1 364.921 3.068 20 30 FGEDMO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2CCCSCC#N)C1 ZINC000796570028 723644436 /nfs/dbraw/zinc/64/44/36/723644436.db2.gz HFTWZKFGONBFDI-DLBZAZTESA-N 1 1 353.532 3.356 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000770275050 723710004 /nfs/dbraw/zinc/71/00/04/723710004.db2.gz JROCNJCBGTZDOE-OAHLLOKOSA-N 1 1 363.299 3.110 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000773242603 723779819 /nfs/dbraw/zinc/77/98/19/723779819.db2.gz YZRUNQGWTFZGFW-MRXNPFEDSA-N 1 1 366.303 3.105 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000775138798 723963260 /nfs/dbraw/zinc/96/32/60/723963260.db2.gz RHWDLBSQOXSLLQ-WBMJQRKESA-N 1 1 361.791 3.487 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000775138798 723963263 /nfs/dbraw/zinc/96/32/63/723963263.db2.gz RHWDLBSQOXSLLQ-WBMJQRKESA-N 1 1 361.791 3.487 20 30 FGEDMO COc1ccc(O)c(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000775183391 723969380 /nfs/dbraw/zinc/96/93/80/723969380.db2.gz WLHSQRLLLAIIMO-UHFFFAOYSA-N 1 1 357.841 3.248 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000799335537 724013306 /nfs/dbraw/zinc/01/33/06/724013306.db2.gz GORCGFQTCJFRDC-IBGZPJMESA-N 1 1 358.825 3.002 20 30 FGEDMO C#CC[N@@H+](C[C@@H](C)Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775658590 724017627 /nfs/dbraw/zinc/01/76/27/724017627.db2.gz PTUCXFUQUPJEFV-FXAWDEMLSA-N 1 1 361.551 3.285 20 30 FGEDMO C#CC[N@H+](C[C@@H](C)Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775658590 724017632 /nfs/dbraw/zinc/01/76/32/724017632.db2.gz PTUCXFUQUPJEFV-FXAWDEMLSA-N 1 1 361.551 3.285 20 30 FGEDMO C=CCNC(=S)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000800822261 724232136 /nfs/dbraw/zinc/23/21/36/724232136.db2.gz CZOIMAPSGKCDSY-VQTJNVASSA-N 1 1 351.519 3.305 20 30 FGEDMO C=C(Br)CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778631976 724350742 /nfs/dbraw/zinc/35/07/42/724350742.db2.gz PRXBFBZVVKWUJZ-GOEBONIOSA-N 1 1 366.303 3.105 20 30 FGEDMO C=CCCCCCCNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000807569509 725163514 /nfs/dbraw/zinc/16/35/14/725163514.db2.gz HGZZNFHZGJGXPD-GUDVDZBRSA-N 1 1 351.535 3.406 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852508 726819195 /nfs/dbraw/zinc/81/91/95/726819195.db2.gz ZFMZDXHIHLCKCH-KDOFPFPSSA-N 1 1 357.479 3.392 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nc1 ZINC000814171361 726944288 /nfs/dbraw/zinc/94/42/88/726944288.db2.gz LWYGIHWHEPMTNQ-CQSZACIVSA-N 1 1 358.785 3.168 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)nc1 ZINC000814171361 726944291 /nfs/dbraw/zinc/94/42/91/726944291.db2.gz LWYGIHWHEPMTNQ-CQSZACIVSA-N 1 1 358.785 3.168 20 30 FGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2csc(I)c2)no1 ZINC000823015751 729244061 /nfs/dbraw/zinc/24/40/61/729244061.db2.gz KPAJZVXMNPHKFL-MRVPVSSYSA-N 1 1 374.207 3.096 20 30 FGEDMO C[C@@H](C#N)Oc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000826893723 729418171 /nfs/dbraw/zinc/41/81/71/729418171.db2.gz AKLNQCBQTXUKJU-HNNXBMFYSA-N 1 1 352.463 3.233 20 30 FGEDMO C#CCO[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000828260006 729441734 /nfs/dbraw/zinc/44/17/34/729441734.db2.gz VHEVTXHZZGISKM-ZDUSSCGKSA-N 1 1 369.292 3.112 20 30 FGEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC000831096120 729617496 /nfs/dbraw/zinc/61/74/96/729617496.db2.gz SBIYYXCVGYKAKW-OAHLLOKOSA-N 1 1 350.344 3.298 20 30 FGEDMO C#C[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000842409626 730496434 /nfs/dbraw/zinc/49/64/34/730496434.db2.gz PIRGMHPGEGWNLA-LSDHHAIUSA-N 1 1 357.397 3.360 20 30 FGEDMO C#C[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000842409626 730496438 /nfs/dbraw/zinc/49/64/38/730496438.db2.gz PIRGMHPGEGWNLA-LSDHHAIUSA-N 1 1 357.397 3.360 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365258 730707867 /nfs/dbraw/zinc/70/78/67/730707867.db2.gz CYGBMJPTKDFAST-ACJLOTCBSA-N 1 1 357.841 3.204 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365258 730707870 /nfs/dbraw/zinc/70/78/70/730707870.db2.gz CYGBMJPTKDFAST-ACJLOTCBSA-N 1 1 357.841 3.204 20 30 FGEDMO C=C(C)CONC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000845605260 730870917 /nfs/dbraw/zinc/87/09/17/730870917.db2.gz IWUNBQYFSLMKQU-IAGOWNOFSA-N 1 1 353.413 3.296 20 30 FGEDMO C=C(C)CONC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000845605260 730870921 /nfs/dbraw/zinc/87/09/21/730870921.db2.gz IWUNBQYFSLMKQU-IAGOWNOFSA-N 1 1 353.413 3.296 20 30 FGEDMO C[C@H](C/N=C\c1cc(Br)ccc1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000846756264 730977229 /nfs/dbraw/zinc/97/72/29/730977229.db2.gz IUIHSUCTIGZDHW-JNFFHUSWSA-N 1 1 355.276 3.071 20 30 FGEDMO C[C@H](C/N=C\c1cc(Br)ccc1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000846756264 730977230 /nfs/dbraw/zinc/97/72/30/730977230.db2.gz IUIHSUCTIGZDHW-JNFFHUSWSA-N 1 1 355.276 3.071 20 30 FGEDMO O=S(=O)(c1ccc(N=NC2CCC[N@@H+]3CCCC[C@H]23)cc1)C(F)F ZINC000848404316 731161156 /nfs/dbraw/zinc/16/11/56/731161156.db2.gz OXSRWPBYEYBUKI-OAHLLOKOSA-N 1 1 357.426 3.099 20 30 FGEDMO O=S(=O)(c1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)cc1)C(F)F ZINC000848404316 731161157 /nfs/dbraw/zinc/16/11/57/731161157.db2.gz OXSRWPBYEYBUKI-OAHLLOKOSA-N 1 1 357.426 3.099 20 30 FGEDMO N#CCCCC[C@@H]([NH3+])c1nc(Cc2cc(Cl)c3c(c2)OCCO3)no1 ZINC000848624295 731188867 /nfs/dbraw/zinc/18/88/67/731188867.db2.gz LLAXRRQNFCVYRV-CYBMUJFWSA-N 1 1 362.817 3.169 20 30 FGEDMO N#CCCCC[C@@H]([NH3+])c1nc(CC(=O)Nc2ccc(F)c(Cl)c2)no1 ZINC000848627088 731189400 /nfs/dbraw/zinc/18/94/00/731189400.db2.gz KLUHBDUNDJNWJS-CYBMUJFWSA-N 1 1 365.796 3.127 20 30 FGEDMO C=CCCn1cc(C[NH2+][C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)nn1 ZINC000850170117 731328525 /nfs/dbraw/zinc/32/85/25/731328525.db2.gz XGXBEQYDXZILDN-MEDUHNTESA-N 1 1 355.269 3.373 20 30 FGEDMO C[C@@H]1CO[C@H](COC(=O)c2sccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000851410605 731456754 /nfs/dbraw/zinc/45/67/54/731456754.db2.gz DQGIFKQVJZABLJ-PBHICJAKSA-N 1 1 356.447 3.066 20 30 FGEDMO C[C@@H]1CO[C@H](COC(=O)c2sccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000851410605 731456758 /nfs/dbraw/zinc/45/67/58/731456758.db2.gz DQGIFKQVJZABLJ-PBHICJAKSA-N 1 1 356.447 3.066 20 30 FGEDMO C#CCOCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000851721363 731487281 /nfs/dbraw/zinc/48/72/81/731487281.db2.gz IQDJCFPJTPUONS-FQEVSTJZSA-N 1 1 357.475 3.363 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc(Br)cnc2C#N)C1 ZINC000853388365 731699612 /nfs/dbraw/zinc/69/96/12/731699612.db2.gz JBAHQPQRORKDJS-INIZCTEOSA-N 1 1 371.282 3.426 20 30 FGEDMO C=CC[C@@H]1CCC[N@H+](Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000853536698 731719501 /nfs/dbraw/zinc/71/95/01/731719501.db2.gz IGINWSVZKKWVCY-CYBMUJFWSA-N 1 1 362.271 3.405 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000853598636 731730081 /nfs/dbraw/zinc/73/00/81/731730081.db2.gz UKIACRRYEWEJJI-JKDFXYPNSA-N 1 1 365.886 3.309 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)N[C@@](C)(c2ccc(Cl)s2)C1=O ZINC000853598636 731730085 /nfs/dbraw/zinc/73/00/85/731730085.db2.gz UKIACRRYEWEJJI-JKDFXYPNSA-N 1 1 365.886 3.309 20 30 FGEDMO CCCCCCCCCCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853842877 731761723 /nfs/dbraw/zinc/76/17/23/731761723.db2.gz HEOJHMLSYYCBMF-LJQANCHMSA-N 1 1 353.551 3.368 20 30 FGEDMO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554327 732038312 /nfs/dbraw/zinc/03/83/12/732038312.db2.gz QZWBHDXEVNROBU-QGZVFWFLSA-N 1 1 356.495 3.120 20 30 FGEDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554327 732038316 /nfs/dbraw/zinc/03/83/16/732038316.db2.gz QZWBHDXEVNROBU-QGZVFWFLSA-N 1 1 356.495 3.120 20 30 FGEDMO C=CC[N@@H+](C[C@H](C)CSc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000859188829 732287853 /nfs/dbraw/zinc/28/78/53/732287853.db2.gz DXEGVNWSDLKBHR-DOTOQJQBSA-N 1 1 353.553 3.398 20 30 FGEDMO C=CC[N@H+](C[C@H](C)CSc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000859188829 732287855 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N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](OC3CCC3)CC2)C1=O ZINC000872279862 735612851 /nfs/dbraw/zinc/61/28/51/735612851.db2.gz JTUSKHZXCDIMDR-DLBZAZTESA-N 1 1 359.495 3.149 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](OC3CCC3)CC2)C1=O ZINC000872279862 735612853 /nfs/dbraw/zinc/61/28/53/735612853.db2.gz JTUSKHZXCDIMDR-DLBZAZTESA-N 1 1 359.495 3.149 20 30 FGEDMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC[C@H]21 ZINC000878820023 736922103 /nfs/dbraw/zinc/92/21/03/736922103.db2.gz JTNVGCBHRHULLS-SWLSCSKDSA-N 1 1 352.360 3.135 20 30 FGEDMO CCOC(=O)c1sc([C@@H]2CC[N@@H+](CCCSCC#N)C2)nc1C ZINC000880322764 737156026 /nfs/dbraw/zinc/15/60/26/737156026.db2.gz OVSZPENKGVFUIL-CYBMUJFWSA-N 1 1 353.513 3.064 20 30 FGEDMO N#Cc1cnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000882120587 737422873 /nfs/dbraw/zinc/42/28/73/737422873.db2.gz XTOOVSOOIMBMSF-CZUORRHYSA-N 1 1 361.287 3.169 20 30 FGEDMO C=C(C)C[C@@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000883392193 737562093 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C=C(Br)C[NH+]1CCC([C@@H](C)NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000997232638 765049143 /nfs/dbraw/zinc/04/91/43/765049143.db2.gz ZKXJJVNPWZZGPH-FRFSOERESA-N 1 1 355.320 3.302 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001004436994 765431611 /nfs/dbraw/zinc/43/16/11/765431611.db2.gz IKUOPFVPOIYVEM-XSSFRBJZSA-N 1 1 366.933 3.423 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccsc1 ZINC001021407116 765936782 /nfs/dbraw/zinc/93/67/82/765936782.db2.gz FKBFBCOSKMAMOR-JEQQUTEPSA-N 1 1 360.523 3.341 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001023599249 766040661 /nfs/dbraw/zinc/04/06/61/766040661.db2.gz FEEWYZWLFWCJDX-QRQLOZEOSA-N 1 1 362.901 3.259 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC001023599269 766041271 /nfs/dbraw/zinc/04/12/71/766041271.db2.gz FVYLUSATPNVWJR-FMKPAKJESA-N 1 1 368.930 3.321 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 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368.502 3.477 20 30 FGEDMO N#Cc1ccc(C(F)(F)F)c(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000127824560 495003662 /nfs/dbraw/zinc/00/36/62/495003662.db2.gz LPYCSBHUQBEIIH-INIZCTEOSA-N 1 1 371.428 3.197 20 30 FGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)cc1 ZINC000127836518 495005155 /nfs/dbraw/zinc/00/51/55/495005155.db2.gz VOBRHDFCCNDRER-DLBZAZTESA-N 1 1 351.922 3.104 20 30 FGEDMO CC(C)c1csc([C@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)n1 ZINC000127846427 495006792 /nfs/dbraw/zinc/00/67/92/495006792.db2.gz ILBBTERANKEXSP-LIRRHRJNSA-N 1 1 360.527 3.254 20 30 FGEDMO CC(C)c1csc([C@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)n1 ZINC000127846427 495006796 /nfs/dbraw/zinc/00/67/96/495006796.db2.gz ILBBTERANKEXSP-LIRRHRJNSA-N 1 1 360.527 3.254 20 30 FGEDMO CC(C)OCCC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000568700622 505755782 /nfs/dbraw/zinc/75/57/82/505755782.db2.gz CCRRTOZRZMDIRE-UHFFFAOYSA-N 1 1 351.878 3.334 20 30 FGEDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)CC[N@H+]1C ZINC000122751433 495026108 /nfs/dbraw/zinc/02/61/08/495026108.db2.gz PQLSYKNGQGCKMB-RDJZCZTQSA-N 1 1 367.449 3.285 20 30 FGEDMO COc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000122799593 495032975 /nfs/dbraw/zinc/03/29/75/495032975.db2.gz YKFUGQUEOHBGHX-UHFFFAOYSA-N 1 1 365.477 3.283 20 30 FGEDMO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000122799593 495032979 /nfs/dbraw/zinc/03/29/79/495032979.db2.gz YKFUGQUEOHBGHX-UHFFFAOYSA-N 1 1 365.477 3.283 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000122799593 495032982 /nfs/dbraw/zinc/03/29/82/495032982.db2.gz YKFUGQUEOHBGHX-UHFFFAOYSA-N 1 1 365.477 3.283 20 30 FGEDMO CC(=O)Nc1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000128240283 495066347 /nfs/dbraw/zinc/06/63/47/495066347.db2.gz AQVUJTOFJQXFND-UHFFFAOYSA-N 1 1 364.449 3.366 20 30 FGEDMO CC(=O)Nc1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000128240283 495066349 /nfs/dbraw/zinc/06/63/49/495066349.db2.gz AQVUJTOFJQXFND-UHFFFAOYSA-N 1 1 364.449 3.366 20 30 FGEDMO C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000123644210 495165932 /nfs/dbraw/zinc/16/59/32/495165932.db2.gz MLZHSFYGEJYYJK-IDNNPUCFSA-N 1 1 358.482 3.214 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123657705 495167440 /nfs/dbraw/zinc/16/74/40/495167440.db2.gz BAWXZHLOCNWHOY-IBGZPJMESA-N 1 1 370.541 3.376 20 30 FGEDMO C=CCNc1ncc(C(=O)N2CCC(C[N@H+](C)CCCC)CC2)s1 ZINC000129054818 495189482 /nfs/dbraw/zinc/18/94/82/495189482.db2.gz YTOYEWWHMGDVCC-UHFFFAOYSA-N 1 1 350.532 3.325 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C(C)C)C2CCOCC2)c(OC)c1 ZINC000119670470 495214479 /nfs/dbraw/zinc/21/44/79/495214479.db2.gz ZTFWGGQENOPITG-IBGZPJMESA-N 1 1 363.498 3.053 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)CSc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000134914495 495222849 /nfs/dbraw/zinc/22/28/49/495222849.db2.gz UULVFNQMQJMXJF-QFBILLFUSA-N 1 1 365.502 3.430 20 30 FGEDMO C=CCc1ccc(OCC(=O)N2CC[N@H+](C)Cc3ccccc32)c(OC)c1 ZINC000103412013 495229108 /nfs/dbraw/zinc/22/91/08/495229108.db2.gz QGKRSTSBXKBSDB-UHFFFAOYSA-N 1 1 366.461 3.281 20 30 FGEDMO C=CCc1ccc(OCC(=O)N2CC[N@@H+](C)Cc3ccccc32)c(OC)c1 ZINC000103412013 495229111 /nfs/dbraw/zinc/22/91/11/495229111.db2.gz QGKRSTSBXKBSDB-UHFFFAOYSA-N 1 1 366.461 3.281 20 30 FGEDMO COc1ccc(CN2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000135130909 495254183 /nfs/dbraw/zinc/25/41/83/495254183.db2.gz CFOFMDUETHYTPI-ROUUACIJSA-N 1 1 371.525 3.278 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000129705738 495283607 /nfs/dbraw/zinc/28/36/07/495283607.db2.gz RLRHNRUPCVGPSS-UHFFFAOYSA-N 1 1 369.465 3.088 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000129726453 495286558 /nfs/dbraw/zinc/28/65/58/495286558.db2.gz FKVCOGQSJTTYID-OXJNMPFZSA-N 1 1 370.493 3.349 20 30 FGEDMO C=CCn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000574436947 505772675 /nfs/dbraw/zinc/77/26/75/505772675.db2.gz SSHVHMZODPJAAB-HXUWFJFHSA-N 1 1 365.525 3.312 20 30 FGEDMO CC[C@@H](CNCc1cn(CCC#N)nc1-c1ccccc1)[NH+]1CCCC1 ZINC000113320563 495296588 /nfs/dbraw/zinc/29/65/88/495296588.db2.gz UXAWYEKUQVSUQN-FQEVSTJZSA-N 1 1 351.498 3.428 20 30 FGEDMO CN(C)c1cc(C#N)cc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000568769460 505773467 /nfs/dbraw/zinc/77/34/67/505773467.db2.gz XMQQDLYEYYQCKM-QFIPXVFZSA-N 1 1 362.477 3.019 20 30 FGEDMO CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000130071352 495336807 /nfs/dbraw/zinc/33/68/07/495336807.db2.gz BMEIWTXLQCQQFQ-IBGZPJMESA-N 1 1 374.448 3.161 20 30 FGEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000130071352 495336810 /nfs/dbraw/zinc/33/68/10/495336810.db2.gz BMEIWTXLQCQQFQ-IBGZPJMESA-N 1 1 374.448 3.161 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105273719 495350817 /nfs/dbraw/zinc/35/08/17/495350817.db2.gz MBONQWHJRGTPIK-SFHVURJKSA-N 1 1 374.485 3.413 20 30 FGEDMO C=CCNc1ncc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC000136095230 495355516 /nfs/dbraw/zinc/35/55/16/495355516.db2.gz OUKGOGVYGZTFBW-UHFFFAOYSA-N 1 1 356.495 3.089 20 30 FGEDMO C=CCNc1ncc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)s1 ZINC000136095230 495355520 /nfs/dbraw/zinc/35/55/20/495355520.db2.gz OUKGOGVYGZTFBW-UHFFFAOYSA-N 1 1 356.495 3.089 20 30 FGEDMO CCC[N@H+]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000114463366 495378278 /nfs/dbraw/zinc/37/82/78/495378278.db2.gz BEWWBJIIFZFAKQ-IBGZPJMESA-N 1 1 356.514 3.048 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000577699972 505778480 /nfs/dbraw/zinc/77/84/80/505778480.db2.gz CIXVQOQGAUKXLT-HXUWFJFHSA-N 1 1 354.498 3.497 20 30 FGEDMO N#Cc1ccc(SCC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000114642920 495402352 /nfs/dbraw/zinc/40/23/52/495402352.db2.gz KASOPYHYEQLPLB-LJQANCHMSA-N 1 1 365.502 3.431 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000106083447 495412272 /nfs/dbraw/zinc/41/22/72/495412272.db2.gz FHPZUKAQRXZZLI-CALCHBBNSA-N 1 1 363.461 3.097 20 30 FGEDMO C[N@H+](CCOc1ccccc1F)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000137599225 495446882 /nfs/dbraw/zinc/44/68/82/495446882.db2.gz VAFQUWPZAXSHDQ-UHFFFAOYSA-N 1 1 361.804 3.300 20 30 FGEDMO C[N@@H+](CCOc1ccccc1F)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000137599225 495446884 /nfs/dbraw/zinc/44/68/84/495446884.db2.gz VAFQUWPZAXSHDQ-UHFFFAOYSA-N 1 1 361.804 3.300 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000120999629 495500636 /nfs/dbraw/zinc/50/06/36/495500636.db2.gz VTJDZUKCDWKNPN-GOSISDBHSA-N 1 1 362.477 3.093 20 30 FGEDMO C[N@H+](CCCOc1cccc(Cl)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536657 495514240 /nfs/dbraw/zinc/51/42/40/495514240.db2.gz JCILJLSYZBOVOW-GOSISDBHSA-N 1 1 357.841 3.139 20 30 FGEDMO C[N@@H+](CCCOc1cccc(Cl)c1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536657 495514243 /nfs/dbraw/zinc/51/42/43/495514243.db2.gz JCILJLSYZBOVOW-GOSISDBHSA-N 1 1 357.841 3.139 20 30 FGEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000143114234 495530774 /nfs/dbraw/zinc/53/07/74/495530774.db2.gz DXFNGIFEKRQFSP-LJQANCHMSA-N 1 1 366.461 3.264 20 30 FGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185462570 495586467 /nfs/dbraw/zinc/58/64/67/495586467.db2.gz MFNSNVAMLBOVBE-HNAYVOBHSA-N 1 1 369.490 3.213 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173644783 495631246 /nfs/dbraw/zinc/63/12/46/495631246.db2.gz KZJQUWFNFTXLSY-MOPGFXCFSA-N 1 1 356.514 3.128 20 30 FGEDMO COC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(C#N)n1 ZINC000571701643 505794405 /nfs/dbraw/zinc/79/44/05/505794405.db2.gz QBHUTLVIDGYIIR-SCLBCKFNSA-N 1 1 370.478 3.296 20 30 FGEDMO C[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000154534319 495645972 /nfs/dbraw/zinc/64/59/72/495645972.db2.gz PSZXGOADVIZCPA-CQSZACIVSA-N 1 1 353.853 3.388 20 30 FGEDMO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000182657004 495651904 /nfs/dbraw/zinc/65/19/04/495651904.db2.gz YOHPGEGACCSCIV-OAHLLOKOSA-N 1 1 355.438 3.011 20 30 FGEDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000182657004 495651910 /nfs/dbraw/zinc/65/19/10/495651910.db2.gz YOHPGEGACCSCIV-OAHLLOKOSA-N 1 1 355.438 3.011 20 30 FGEDMO Cn1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C(C)(C)C)n1 ZINC000179639384 495672026 /nfs/dbraw/zinc/67/20/26/495672026.db2.gz RAMBMGSWQDRMRS-UHFFFAOYSA-N 1 1 365.525 3.297 20 30 FGEDMO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C(C)(C)C)n1 ZINC000179639384 495672027 /nfs/dbraw/zinc/67/20/27/495672027.db2.gz RAMBMGSWQDRMRS-UHFFFAOYSA-N 1 1 365.525 3.297 20 30 FGEDMO Cn1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C(C)(C)C)n1 ZINC000179639384 495672029 /nfs/dbraw/zinc/67/20/29/495672029.db2.gz RAMBMGSWQDRMRS-UHFFFAOYSA-N 1 1 365.525 3.297 20 30 FGEDMO CCOC(=O)c1ccc(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)nc1 ZINC000182740532 495683470 /nfs/dbraw/zinc/68/34/70/495683470.db2.gz MJSCFAZTJFCOHW-MRXNPFEDSA-N 1 1 364.449 3.013 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182815160 495714157 /nfs/dbraw/zinc/71/41/57/495714157.db2.gz JAXUTESFEFLHQV-CABCVRRESA-N 1 1 372.435 3.352 20 30 FGEDMO CC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173915328 495745857 /nfs/dbraw/zinc/74/58/57/495745857.db2.gz QELPBEDLQIQDJL-OAHLLOKOSA-N 1 1 374.554 3.101 20 30 FGEDMO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179826997 495750415 /nfs/dbraw/zinc/75/04/15/495750415.db2.gz OTPDTHDXLNMSQI-KRWDZBQOSA-N 1 1 356.426 3.193 20 30 FGEDMO Cc1c(-c2cc(CO[NH+]=C(N)CCCc3ccccc3)on2)cnn1C ZINC000185938268 495789224 /nfs/dbraw/zinc/78/92/24/495789224.db2.gz QHJKXMDAPGCROV-UHFFFAOYSA-N 1 1 353.426 3.195 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000580642350 505804548 /nfs/dbraw/zinc/80/45/48/505804548.db2.gz XRQNQBVAQRNZIK-QNXAMLQOSA-N 1 1 369.509 3.072 20 30 FGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000180028708 495829864 /nfs/dbraw/zinc/82/98/64/495829864.db2.gz BSWOXYADRSPPDL-OAHLLOKOSA-N 1 1 367.453 3.198 20 30 FGEDMO O=C1CCCN1C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000159874503 495830729 /nfs/dbraw/zinc/83/07/29/495830729.db2.gz KHBDJUAIRGGTJP-UHFFFAOYSA-N 1 1 366.383 3.024 20 30 FGEDMO C=CCC[C@@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1ccccc1 ZINC000180045672 495835851 /nfs/dbraw/zinc/83/58/51/495835851.db2.gz VYUWYUVDFGRNGS-GOSISDBHSA-N 1 1 373.460 3.378 20 30 FGEDMO C[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000180051872 495837930 /nfs/dbraw/zinc/83/79/30/495837930.db2.gz MHRVLQFCFQQZTL-IRXDYDNUSA-N 1 1 351.498 3.169 20 30 FGEDMO C[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000180051872 495837933 /nfs/dbraw/zinc/83/79/33/495837933.db2.gz MHRVLQFCFQQZTL-IRXDYDNUSA-N 1 1 351.498 3.169 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1-c1ccncc1 ZINC000568918004 505807236 /nfs/dbraw/zinc/80/72/36/505807236.db2.gz OTNSMOCOLFDKHZ-UHFFFAOYSA-N 1 1 352.438 3.146 20 30 FGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(C)nc1-c1ccncc1 ZINC000568918004 505807239 /nfs/dbraw/zinc/80/72/39/505807239.db2.gz OTNSMOCOLFDKHZ-UHFFFAOYSA-N 1 1 352.438 3.146 20 30 FGEDMO CC#CCCCC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186077646 495847240 /nfs/dbraw/zinc/84/72/40/495847240.db2.gz OULFJALINJYUQY-LJQANCHMSA-N 1 1 350.466 3.462 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186092693 495852324 /nfs/dbraw/zinc/85/23/24/495852324.db2.gz NHPVVBVDEKUDQJ-FQEVSTJZSA-N 1 1 363.461 3.220 20 30 FGEDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000183184056 495871615 /nfs/dbraw/zinc/87/16/15/495871615.db2.gz ZHDZSUMRWIJIFM-MRXNPFEDSA-N 1 1 354.454 3.237 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160069527 495876879 /nfs/dbraw/zinc/87/68/79/495876879.db2.gz SKYGZIBGUCUGFT-IBGZPJMESA-N 1 1 372.557 3.433 20 30 FGEDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000155261250 495895497 /nfs/dbraw/zinc/89/54/97/495895497.db2.gz HIORFKKESNHRAS-CALCHBBNSA-N 1 1 363.461 3.302 20 30 FGEDMO COc1cccc([C@H]2[C@@H](NC(=O)C3(C#N)CCCC3)CC[N@H+]2C2CC2)c1 ZINC000183245956 495897027 /nfs/dbraw/zinc/89/70/27/495897027.db2.gz NEYUXIBUVAAQQF-OALUTQOASA-N 1 1 353.466 3.173 20 30 FGEDMO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183257355 495903788 /nfs/dbraw/zinc/90/37/88/495903788.db2.gz PVSGIOBOFNRJDO-CDHQVMDDSA-N 1 1 358.482 3.070 20 30 FGEDMO C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183257394 495903807 /nfs/dbraw/zinc/90/38/07/495903807.db2.gz PVSGIOBOFNRJDO-UIAACRFSSA-N 1 1 358.482 3.070 20 30 FGEDMO Cn1cc(C[N@@H+](C)CCC(=O)OC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000180205300 495906074 /nfs/dbraw/zinc/90/60/74/495906074.db2.gz OZWSGVIDOBWRIU-UHFFFAOYSA-N 1 1 354.454 3.122 20 30 FGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000177075029 495914475 /nfs/dbraw/zinc/91/44/75/495914475.db2.gz PXBJDSIEOFJERG-LMNJBCLMSA-N 1 1 369.509 3.359 20 30 FGEDMO Cc1cccn2cc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)nc12 ZINC000180230752 495916004 /nfs/dbraw/zinc/91/60/04/495916004.db2.gz OBDUIPIBKACHMK-UHFFFAOYSA-N 1 1 356.433 3.205 20 30 FGEDMO COc1ccc(OC)c(CN2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000186294504 495932546 /nfs/dbraw/zinc/93/25/46/495932546.db2.gz IMUQWBJRCLLLFX-KRWDZBQOSA-N 1 1 365.477 3.454 20 30 FGEDMO C=C[C@@H](CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000155390177 495942454 /nfs/dbraw/zinc/94/24/54/495942454.db2.gz LNTCXMCLKUGCRI-NRFANRHFSA-N 1 1 364.489 3.495 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580682021 505813145 /nfs/dbraw/zinc/81/31/45/505813145.db2.gz SLTIEKJMKCJJCT-NXHRZFHOSA-N 1 1 354.853 3.058 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580682021 505813146 /nfs/dbraw/zinc/81/31/46/505813146.db2.gz SLTIEKJMKCJJCT-NXHRZFHOSA-N 1 1 354.853 3.058 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c2ccccc21 ZINC000171630726 495956489 /nfs/dbraw/zinc/95/64/89/495956489.db2.gz XLBXAEFTQLCMRM-INIZCTEOSA-N 1 1 361.449 3.340 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c2ccccc21 ZINC000171630726 495956492 /nfs/dbraw/zinc/95/64/92/495956492.db2.gz XLBXAEFTQLCMRM-INIZCTEOSA-N 1 1 361.449 3.340 20 30 FGEDMO FC(F)(F)c1ccc(C#CCN2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000177277052 496004037 /nfs/dbraw/zinc/00/40/37/496004037.db2.gz HIEPQJXFINNNRU-UHFFFAOYSA-N 1 1 366.427 3.101 20 30 FGEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(O)c(Cl)c1 ZINC000183561637 496031299 /nfs/dbraw/zinc/03/12/99/496031299.db2.gz SBMIOIVBSUGUJD-UHFFFAOYSA-N 1 1 357.841 3.121 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)C1CC1 ZINC000180550770 496040684 /nfs/dbraw/zinc/04/06/84/496040684.db2.gz SXIYPVXNKJJIJA-HOCLYGCPSA-N 1 1 357.351 3.217 20 30 FGEDMO N#C[C@H](NC(=O)CCCC[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000171836304 496057647 /nfs/dbraw/zinc/05/76/47/496057647.db2.gz JPWQJODJLAEDJH-INIZCTEOSA-N 1 1 370.280 3.177 20 30 FGEDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000186716249 496119675 /nfs/dbraw/zinc/11/96/75/496119675.db2.gz SETGBWVFFOVUCZ-UHFFFAOYSA-N 1 1 363.461 3.303 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c2ccccc21 ZINC000174820738 496120951 /nfs/dbraw/zinc/12/09/51/496120951.db2.gz VVNDUUUIVQCTEY-INIZCTEOSA-N 1 1 351.450 3.239 20 30 FGEDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000180896949 496190674 /nfs/dbraw/zinc/19/06/74/496190674.db2.gz NJDQBQQEQQZMBU-CQSZACIVSA-N 1 1 351.244 3.096 20 30 FGEDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000180896949 496190677 /nfs/dbraw/zinc/19/06/77/496190677.db2.gz NJDQBQQEQQZMBU-CQSZACIVSA-N 1 1 351.244 3.096 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCO1 ZINC000172173419 496195013 /nfs/dbraw/zinc/19/50/13/496195013.db2.gz IGQBMSGHPNESAS-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCO1 ZINC000172173419 496195017 /nfs/dbraw/zinc/19/50/17/496195017.db2.gz IGQBMSGHPNESAS-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000181038431 496249096 /nfs/dbraw/zinc/24/90/96/496249096.db2.gz NVDHKKBMBNJGND-CRAIPNDOSA-N 1 1 358.486 3.003 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000181038431 496249097 /nfs/dbraw/zinc/24/90/97/496249097.db2.gz NVDHKKBMBNJGND-CRAIPNDOSA-N 1 1 358.486 3.003 20 30 FGEDMO C=C(C)COCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000152832787 496270179 /nfs/dbraw/zinc/27/01/79/496270179.db2.gz TXTFHTGPIJDPLN-NHCUHLMSSA-N 1 1 371.525 3.275 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156544936 496275257 /nfs/dbraw/zinc/27/52/57/496275257.db2.gz QKJVZYWQNNUDDB-GLJUWKHASA-N 1 1 371.872 3.318 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000187064537 496277128 /nfs/dbraw/zinc/27/71/28/496277128.db2.gz WPYYILFTWVIYNW-UWJYYQICSA-N 1 1 374.488 3.012 20 30 FGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000172494455 496316939 /nfs/dbraw/zinc/31/69/39/496316939.db2.gz GVCGQESHMOGLGR-LJQANCHMSA-N 1 1 354.498 3.497 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000156892424 496357899 /nfs/dbraw/zinc/35/78/99/496357899.db2.gz CEKFZWCZZRMZIX-OAHLLOKOSA-N 1 1 374.506 3.497 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000156892424 496357903 /nfs/dbraw/zinc/35/79/03/496357903.db2.gz CEKFZWCZZRMZIX-OAHLLOKOSA-N 1 1 374.506 3.497 20 30 FGEDMO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1csc(Nc2ccccc2)n1 ZINC000153255090 496397956 /nfs/dbraw/zinc/39/79/56/496397956.db2.gz MUBGLUXTLXPLMT-UHFFFAOYSA-N 1 1 367.482 3.128 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1csc(Nc2ccccc2)n1 ZINC000153255090 496397959 /nfs/dbraw/zinc/39/79/59/496397959.db2.gz MUBGLUXTLXPLMT-UHFFFAOYSA-N 1 1 367.482 3.128 20 30 FGEDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000172766691 496421247 /nfs/dbraw/zinc/42/12/47/496421247.db2.gz MOZRZXGHXIMRSP-UHFFFAOYSA-N 1 1 365.481 3.007 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccc(C#N)cc1)C1CC1 ZINC000187389866 496421910 /nfs/dbraw/zinc/42/19/10/496421910.db2.gz CRURMYPPBJUKAL-OAQYLSRUSA-N 1 1 362.477 3.268 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C)(C)c1ccccc1Br ZINC000181516197 496428935 /nfs/dbraw/zinc/42/89/35/496428935.db2.gz VAZJMPYYJQMERK-ZDUSSCGKSA-N 1 1 366.303 3.282 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000157341217 496457838 /nfs/dbraw/zinc/45/78/38/496457838.db2.gz PUPOAXCDZJTTTI-QGZVFWFLSA-N 1 1 372.513 3.092 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000178446926 496460219 /nfs/dbraw/zinc/46/02/19/496460219.db2.gz WDTHHSJRBHOGBC-QGZVFWFLSA-N 1 1 358.486 3.446 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000187492267 496464518 /nfs/dbraw/zinc/46/45/18/496464518.db2.gz RKGAQZSPXIXPNQ-OAQYLSRUSA-N 1 1 362.477 3.268 20 30 FGEDMO Cc1sc(NC(=O)C[NH+]2CCC(C3CCOCC3)CC2)c(C#N)c1C ZINC000153523055 496483994 /nfs/dbraw/zinc/48/39/94/496483994.db2.gz DBTZCHGYFIXKNC-UHFFFAOYSA-N 1 1 361.511 3.314 20 30 FGEDMO CCC(CC)[C@H](CNC(=O)Nc1cccc(C#N)c1C)[NH+]1CCOCC1 ZINC000178540158 496492113 /nfs/dbraw/zinc/49/21/13/496492113.db2.gz ZFWUSGCDAHCVLC-IBGZPJMESA-N 1 1 358.486 3.125 20 30 FGEDMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000153585523 496507491 /nfs/dbraw/zinc/50/74/91/496507491.db2.gz ITROZSCFKFNFIL-LJQANCHMSA-N 1 1 354.454 3.015 20 30 FGEDMO C=CCOc1ccc(C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)cc1 ZINC000173182388 496584594 /nfs/dbraw/zinc/58/45/94/496584594.db2.gz JZTHGMAJEUWWBS-KRWDZBQOSA-N 1 1 358.482 3.015 20 30 FGEDMO C#CCOc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000157956287 496594593 /nfs/dbraw/zinc/59/45/93/496594593.db2.gz HCBXVAJYDJZWAL-OXQOHEQNSA-N 1 1 353.466 3.179 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153870469 496607637 /nfs/dbraw/zinc/60/76/37/496607637.db2.gz DHNCDMNURNQNTD-NQIIRXRSSA-N 1 1 355.482 3.051 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCc1ccccc1Cl ZINC000181995333 496628283 /nfs/dbraw/zinc/62/82/83/496628283.db2.gz UIDHLSQAJJMENT-HNNXBMFYSA-N 1 1 355.873 3.145 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCc1ccccc1Cl ZINC000181995333 496628289 /nfs/dbraw/zinc/62/82/89/496628289.db2.gz UIDHLSQAJJMENT-HNNXBMFYSA-N 1 1 355.873 3.145 20 30 FGEDMO COc1cccc(-c2noc([C@@H](C)[NH2+]C[C@H](O)c3ccc(C#N)cc3)n2)c1 ZINC000185118952 496667394 /nfs/dbraw/zinc/66/73/94/496667394.db2.gz IIUMNKHNCDLVRN-ACJLOTCBSA-N 1 1 364.405 3.001 20 30 FGEDMO COc1cccc(-c2noc([C@@H](C)[NH2+]CCOc3ccccc3C#N)n2)c1 ZINC000185124929 496671965 /nfs/dbraw/zinc/67/19/65/496671965.db2.gz HPRZUDLRKIUSMM-CQSZACIVSA-N 1 1 364.405 3.346 20 30 FGEDMO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cn(-c2ccccc2)nn1 ZINC000154083979 496678888 /nfs/dbraw/zinc/67/88/88/496678888.db2.gz VXBNHSVCHHAFGJ-QGZVFWFLSA-N 1 1 360.465 3.468 20 30 FGEDMO COC(=O)[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000188105991 496685649 /nfs/dbraw/zinc/68/56/49/496685649.db2.gz HSJJJJQQOUJQSU-APWZRJJASA-N 1 1 366.465 3.095 20 30 FGEDMO C=CCSCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000179294876 496727649 /nfs/dbraw/zinc/72/76/49/496727649.db2.gz SCBMCJFVNRJIPE-HOTGVXAUSA-N 1 1 353.919 3.304 20 30 FGEDMO C=CCSCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000179294876 496727651 /nfs/dbraw/zinc/72/76/51/496727651.db2.gz SCBMCJFVNRJIPE-HOTGVXAUSA-N 1 1 353.919 3.304 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3csc(C4CC4)n3)CC2)cc1 ZINC000194872323 496743316 /nfs/dbraw/zinc/74/33/16/496743316.db2.gz NQAUKBRFOUFPSQ-UHFFFAOYSA-N 1 1 366.490 3.240 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3csc(C4CC4)n3)CC2)cc1 ZINC000194872323 496743321 /nfs/dbraw/zinc/74/33/21/496743321.db2.gz NQAUKBRFOUFPSQ-UHFFFAOYSA-N 1 1 366.490 3.240 20 30 FGEDMO N#CCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000194907836 496756912 /nfs/dbraw/zinc/75/69/12/496756912.db2.gz MOZPOFZDLCPKOJ-MRXNPFEDSA-N 1 1 369.490 3.292 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247113629 496782776 /nfs/dbraw/zinc/78/27/76/496782776.db2.gz VTXATVDPWYCQLJ-SJORKVTESA-N 1 1 374.554 3.293 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247262232 496819168 /nfs/dbraw/zinc/81/91/68/496819168.db2.gz RSHQTENOZZVTHA-WTANOLMUSA-N 1 1 361.873 3.166 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000247554410 496887462 /nfs/dbraw/zinc/88/74/62/496887462.db2.gz KPBFJNZQIXONFD-QKLQHJQFSA-N 1 1 361.486 3.002 20 30 FGEDMO C=C1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000264493089 496913386 /nfs/dbraw/zinc/91/33/86/496913386.db2.gz TXCQDSASQMYPOC-GOSISDBHSA-N 1 1 356.466 3.163 20 30 FGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000264536802 496923733 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/nfs/dbraw/zinc/95/28/41/505952841.db2.gz PQEXKIKYTJNPTH-AREMUKBSSA-N 1 1 370.522 3.197 20 30 FGEDMO CC1(C)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[S@]1=O ZINC000581291026 505952846 /nfs/dbraw/zinc/95/28/46/505952846.db2.gz PQEXKIKYTJNPTH-AREMUKBSSA-N 1 1 370.522 3.197 20 30 FGEDMO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000329919122 497952884 /nfs/dbraw/zinc/95/28/84/497952884.db2.gz DBNDRVHGHPMTCD-QWHCGFSZSA-N 1 1 372.448 3.387 20 30 FGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC000329919122 497952889 /nfs/dbraw/zinc/95/28/89/497952889.db2.gz DBNDRVHGHPMTCD-QWHCGFSZSA-N 1 1 372.448 3.387 20 30 FGEDMO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1 ZINC000329960703 497970661 /nfs/dbraw/zinc/97/06/61/497970661.db2.gz RFNIAYSZOKVIPY-RLLQIKCJSA-N 1 1 359.514 3.451 20 30 FGEDMO NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329991817 497983140 /nfs/dbraw/zinc/98/31/40/497983140.db2.gz XERWPQYFJLCWHF-OTWHNJEPSA-N 1 1 372.513 3.496 20 30 FGEDMO C[C@]1(CNC(=O)N[C@@H]2CCO[C@@H]2C2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000330163071 498046742 /nfs/dbraw/zinc/04/67/42/498046742.db2.gz ARKUODAHNQXSFF-SFHLNBCPSA-N 1 1 357.498 3.112 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301323193 498056625 /nfs/dbraw/zinc/05/66/25/498056625.db2.gz VMFIKQCGIFRYEI-RHSMWYFYSA-N 1 1 351.410 3.184 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301323192 498056927 /nfs/dbraw/zinc/05/69/27/498056927.db2.gz VMFIKQCGIFRYEI-PBHICJAKSA-N 1 1 351.410 3.184 20 30 FGEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000330201088 498059300 /nfs/dbraw/zinc/05/93/00/498059300.db2.gz XGOOGTHCBMYTJJ-ZWKOTPCHSA-N 1 1 371.481 3.149 20 30 FGEDMO Cc1nc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C2)sc1C ZINC000330304210 498099362 /nfs/dbraw/zinc/09/93/62/498099362.db2.gz PVQAIHCKXVKTOY-HUUCEWRRSA-N 1 1 359.499 3.065 20 30 FGEDMO Cn1nnnc1-c1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000330324889 498105708 /nfs/dbraw/zinc/10/57/08/498105708.db2.gz IVEFXUZLRMNTDS-QGZVFWFLSA-N 1 1 354.458 3.262 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)C/C(C)=C\c2ccccc2OC(F)F)C1=O ZINC000581401721 505979850 /nfs/dbraw/zinc/97/98/50/505979850.db2.gz YGBUKQHTNIJFKE-OBEJXRGXSA-N 1 1 350.409 3.410 20 30 FGEDMO CC[C@H]1CN(c2c(C#N)cnc3c(C)cc(C)cc32)CC[N@H+]1C[C@H](C)O ZINC000301445317 498113663 /nfs/dbraw/zinc/11/36/63/498113663.db2.gz ZEJOIEMRKSSJOF-WMZOPIPTSA-N 1 1 352.482 3.005 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnc(-c4ccco4)s3)C2)nc1 ZINC000292704214 498115480 /nfs/dbraw/zinc/11/54/80/498115480.db2.gz CPQLNMYLENIWME-AWEZNQCLSA-N 1 1 352.419 3.323 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)nc1 ZINC000292704214 498115488 /nfs/dbraw/zinc/11/54/88/498115488.db2.gz CPQLNMYLENIWME-AWEZNQCLSA-N 1 1 352.419 3.323 20 30 FGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000296606248 498118013 /nfs/dbraw/zinc/11/80/13/498118013.db2.gz DVVXHXNRYCCUCR-CVEARBPZSA-N 1 1 356.470 3.316 20 30 FGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)[C@@H](C)C1 ZINC000330551326 498150965 /nfs/dbraw/zinc/15/09/65/498150965.db2.gz FMONZWTVUBGOHY-WDEREUQCSA-N 1 1 361.820 3.210 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1C ZINC000330847189 498205143 /nfs/dbraw/zinc/20/51/43/498205143.db2.gz KKBCTNHSSRLVBA-UYAOXDASSA-N 1 1 371.525 3.279 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1C ZINC000330847189 498205146 /nfs/dbraw/zinc/20/51/46/498205146.db2.gz KKBCTNHSSRLVBA-UYAOXDASSA-N 1 1 371.525 3.279 20 30 FGEDMO N#Cc1ccnc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000301673217 498218181 /nfs/dbraw/zinc/21/81/81/498218181.db2.gz ZUVPOJAHBCPNAK-UHFFFAOYSA-N 1 1 371.828 3.227 20 30 FGEDMO N#Cc1ccnc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000301673217 498218187 /nfs/dbraw/zinc/21/81/87/498218187.db2.gz ZUVPOJAHBCPNAK-UHFFFAOYSA-N 1 1 371.828 3.227 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(OCC(F)F)n2)C[C@@H]1C ZINC000330927368 498219138 /nfs/dbraw/zinc/21/91/38/498219138.db2.gz WMAVDUACYSJMBX-QWHCGFSZSA-N 1 1 356.417 3.076 20 30 FGEDMO CC(C)S(=O)(=O)c1ccccc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000330946300 498222621 /nfs/dbraw/zinc/22/26/21/498222621.db2.gz AJZIJNAUHQSFFR-UHFFFAOYSA-N 1 1 366.527 3.295 20 30 FGEDMO CC(C)S(=O)(=O)c1ccccc1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000330946300 498222625 /nfs/dbraw/zinc/22/26/25/498222625.db2.gz AJZIJNAUHQSFFR-UHFFFAOYSA-N 1 1 366.527 3.295 20 30 FGEDMO Cc1nc2sccn2c(=O)c1CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000285914804 498239309 /nfs/dbraw/zinc/23/93/09/498239309.db2.gz HQQYKZRZZUCFRP-UHFFFAOYSA-N 1 1 364.474 3.143 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293072051 498257766 /nfs/dbraw/zinc/25/77/66/498257766.db2.gz VMTNGIVECQNHJL-PXNSSMCTSA-N 1 1 361.555 3.069 20 30 FGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000289731631 498268879 /nfs/dbraw/zinc/26/88/79/498268879.db2.gz PSZDXFHXWQYDAQ-UHFFFAOYSA-N 1 1 365.481 3.250 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000331179930 498270851 /nfs/dbraw/zinc/27/08/51/498270851.db2.gz MMJKRWIVJOJQHL-MWLCHTKSSA-N 1 1 356.220 3.145 20 30 FGEDMO Cc1cccnc1NC(=O)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000365104825 498298019 /nfs/dbraw/zinc/29/80/19/498298019.db2.gz KWTMJWWVNMKPPP-UHFFFAOYSA-N 1 1 373.460 3.365 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)c(OC)cc2OC)C[C@H]1C ZINC000331335172 498303131 /nfs/dbraw/zinc/30/31/31/498303131.db2.gz JTOMOKJAGSWLSX-CHWSQXEVSA-N 1 1 353.438 3.193 20 30 FGEDMO COc1ccc([C@H]2[C@H](CNC(=O)NCCCCC#N)CCC[N@H+]2C)cc1 ZINC000360962716 498326977 /nfs/dbraw/zinc/32/69/77/498326977.db2.gz QFNUGRLUIQWICM-HKUYNNGSSA-N 1 1 358.486 3.071 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000361051948 498339053 /nfs/dbraw/zinc/33/90/53/498339053.db2.gz LRISSSFAZPCAKW-MRXNPFEDSA-N 1 1 373.460 3.007 20 30 FGEDMO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000361051948 498339058 /nfs/dbraw/zinc/33/90/58/498339058.db2.gz LRISSSFAZPCAKW-MRXNPFEDSA-N 1 1 373.460 3.007 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000281974834 498340541 /nfs/dbraw/zinc/34/05/41/498340541.db2.gz RRGOUGIWXOVKMX-HNNXBMFYSA-N 1 1 351.410 3.383 20 30 FGEDMO CN(C(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O)C1(C#N)CCCCC1 ZINC000331522245 498359359 /nfs/dbraw/zinc/35/93/59/498359359.db2.gz CVZUNEUKTNVGOC-NSHGMRRFSA-N 1 1 361.530 3.077 20 30 FGEDMO C=CCC(C)(C)CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000572677143 506027327 /nfs/dbraw/zinc/02/73/27/506027327.db2.gz BZKPEGKDGZWYDY-HKUYNNGSSA-N 1 1 359.514 3.177 20 30 FGEDMO C=CCC(C)(C)CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000572677143 506027331 /nfs/dbraw/zinc/02/73/31/506027331.db2.gz BZKPEGKDGZWYDY-HKUYNNGSSA-N 1 1 359.514 3.177 20 30 FGEDMO N#Cc1c(N2CCC[N@@H+](CCCc3ccccc3)CC2)nc2ccccn12 ZINC000302097488 498405776 /nfs/dbraw/zinc/40/57/76/498405776.db2.gz OOEFVGBNUKNZSD-UHFFFAOYSA-N 1 1 359.477 3.351 20 30 FGEDMO CC(=O)c1ccc(C#N)c(NCC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000302107825 498408342 /nfs/dbraw/zinc/40/83/42/498408342.db2.gz OGOOTPBFPVMDJM-UHFFFAOYSA-N 1 1 355.482 3.455 20 30 FGEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000569857814 506032329 /nfs/dbraw/zinc/03/23/29/506032329.db2.gz KZGLBVKDEDIDKB-MSOLQXFVSA-N 1 1 369.513 3.270 20 30 FGEDMO C=CCOc1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1OC ZINC000282303438 498458350 /nfs/dbraw/zinc/45/83/50/498458350.db2.gz JXIPNSUICRBKEZ-OAQYLSRUSA-N 1 1 355.434 3.020 20 30 FGEDMO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(C4CCCC4)C3)CC2)cc1 ZINC000362235415 498479291 /nfs/dbraw/zinc/47/92/91/498479291.db2.gz KNFUOZARZANKCU-OAQYLSRUSA-N 1 1 352.526 3.129 20 30 FGEDMO C=CC[C@@H](CC)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000286696747 498479955 /nfs/dbraw/zinc/47/99/55/498479955.db2.gz FNDQSMFZUBJLLA-NJYVYQBISA-N 1 1 366.509 3.107 20 30 FGEDMO C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000282431390 498509476 /nfs/dbraw/zinc/50/94/76/498509476.db2.gz KEQANTVDDUNMIM-YOEHRIQHSA-N 1 1 366.465 3.412 20 30 FGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000282431390 498509479 /nfs/dbraw/zinc/50/94/79/498509479.db2.gz KEQANTVDDUNMIM-YOEHRIQHSA-N 1 1 366.465 3.412 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331998807 498528455 /nfs/dbraw/zinc/52/84/55/498528455.db2.gz VSXUIVPWFXJBPK-LSDHHAIUSA-N 1 1 374.554 3.242 20 30 FGEDMO C=CCOc1ccc(/C=C/C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000363008076 498601631 /nfs/dbraw/zinc/60/16/31/498601631.db2.gz SYCVSKYZRXQUBY-AZGCOUAMSA-N 1 1 356.466 3.016 20 30 FGEDMO N#Cc1cc(F)c(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(F)c1 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N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC000419304272 500351286 /nfs/dbraw/zinc/35/12/86/500351286.db2.gz UKQWBRCBONDYNG-IBGZPJMESA-N 1 1 369.415 3.160 20 30 FGEDMO C=CC[N@@H+](CCC(=O)N(C)CC)Cc1cc(Br)ccc1F ZINC000431368018 500368650 /nfs/dbraw/zinc/36/86/50/500368650.db2.gz FHHHTMJSZRUDHC-UHFFFAOYSA-N 1 1 357.267 3.445 20 30 FGEDMO C=CC[N@H+](CCC(=O)N(C)CC)Cc1cc(Br)ccc1F ZINC000431368018 500368653 /nfs/dbraw/zinc/36/86/53/500368653.db2.gz FHHHTMJSZRUDHC-UHFFFAOYSA-N 1 1 357.267 3.445 20 30 FGEDMO CCc1ccccc1[C@H](N)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423503684 500379702 /nfs/dbraw/zinc/37/97/02/500379702.db2.gz MZMSEPVWJCZHOZ-HSZRJFAPSA-N 1 1 362.521 3.375 20 30 FGEDMO C=CCC[C@H]1NC(=O)N(Cc2ccccc2C[N@H+](C)Cc2ccco2)C1=O ZINC000419931380 500407677 /nfs/dbraw/zinc/40/76/77/500407677.db2.gz CTJMCJCDFWPHOR-LJQANCHMSA-N 1 1 367.449 3.298 20 30 FGEDMO C=CCC[C@H]1NC(=O)N(Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1=O ZINC000419931380 500407681 /nfs/dbraw/zinc/40/76/81/500407681.db2.gz CTJMCJCDFWPHOR-LJQANCHMSA-N 1 1 367.449 3.298 20 30 FGEDMO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576589061 506194001 /nfs/dbraw/zinc/19/40/01/506194001.db2.gz YBXNHTMSDJAYNY-UHFFFAOYSA-N 1 1 367.405 3.422 20 30 FGEDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576589061 506194003 /nfs/dbraw/zinc/19/40/03/506194003.db2.gz YBXNHTMSDJAYNY-UHFFFAOYSA-N 1 1 367.405 3.422 20 30 FGEDMO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000424119613 500457036 /nfs/dbraw/zinc/45/70/36/500457036.db2.gz FDOMIANUERSHLI-WBVHZDCISA-N 1 1 361.559 3.343 20 30 FGEDMO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000424132135 500458889 /nfs/dbraw/zinc/45/88/89/500458889.db2.gz XNEPDUMGLYQDFV-NXHRZFHOSA-N 1 1 373.570 3.485 20 30 FGEDMO C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000424132133 500459025 /nfs/dbraw/zinc/45/90/25/500459025.db2.gz XNEPDUMGLYQDFV-NJAFHUGGSA-N 1 1 373.570 3.485 20 30 FGEDMO C=CCCn1cc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nn1 ZINC000424600606 500525244 /nfs/dbraw/zinc/52/52/44/500525244.db2.gz KHDWCKPLWZONLA-INIZCTEOSA-N 1 1 353.470 3.481 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(Br)c3)C2)nc1 ZINC000428770203 500554724 /nfs/dbraw/zinc/55/47/24/500554724.db2.gz FDEICAPTUZUCEM-MRXNPFEDSA-N 1 1 358.239 3.369 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(Br)c3)C2)nc1 ZINC000428770203 500554725 /nfs/dbraw/zinc/55/47/25/500554725.db2.gz FDEICAPTUZUCEM-MRXNPFEDSA-N 1 1 358.239 3.369 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421021015 500555694 /nfs/dbraw/zinc/55/56/94/500555694.db2.gz RXBSCHAFHZBBSI-PMACEKPBSA-N 1 1 371.525 3.423 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421021017 500556056 /nfs/dbraw/zinc/55/60/56/500556056.db2.gz RXBSCHAFHZBBSI-UXHICEINSA-N 1 1 371.525 3.423 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)nc1 ZINC000428791580 500558191 /nfs/dbraw/zinc/55/81/91/500558191.db2.gz TZSZLBCFYANSEG-OAHLLOKOSA-N 1 1 361.804 3.278 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421034004 500560317 /nfs/dbraw/zinc/56/03/17/500560317.db2.gz YBPWQQARPNJGPI-VYDXJSESSA-N 1 1 371.481 3.185 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421034004 500560320 /nfs/dbraw/zinc/56/03/20/500560320.db2.gz YBPWQQARPNJGPI-VYDXJSESSA-N 1 1 371.481 3.185 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000442682928 500610703 /nfs/dbraw/zinc/61/07/03/500610703.db2.gz PNNJOICYGDLVCB-FQEVSTJZSA-N 1 1 362.521 3.369 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433063655 500616978 /nfs/dbraw/zinc/61/69/78/500616978.db2.gz UGDBVVFVQXOQKB-IEBWSBKVSA-N 1 1 372.534 3.187 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+](CCc3ccccc3)[C@@H]3CCOC3)o2)c1 ZINC000437526691 500655873 /nfs/dbraw/zinc/65/58/73/500655873.db2.gz SROSYCBXMUVGFW-HXUWFJFHSA-N 1 1 374.444 3.442 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+](CCc3ccccc3)[C@@H]3CCOC3)o2)c1 ZINC000437526691 500655877 /nfs/dbraw/zinc/65/58/77/500655877.db2.gz SROSYCBXMUVGFW-HXUWFJFHSA-N 1 1 374.444 3.442 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000576676752 506208984 /nfs/dbraw/zinc/20/89/84/506208984.db2.gz PLYYDJHNPXEWRR-AHRSYUTCSA-N 1 1 357.498 3.061 20 30 FGEDMO COc1cc(C[N@@H+](C[C@H](O)COc2ccccc2)C(C)C)ccc1C#N ZINC000443066695 500673290 /nfs/dbraw/zinc/67/32/90/500673290.db2.gz RYVAMSARFYPRLS-IBGZPJMESA-N 1 1 354.450 3.217 20 30 FGEDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000570687254 506213732 /nfs/dbraw/zinc/21/37/32/506213732.db2.gz KNPQBLRDSGJXGQ-ZDUSSCGKSA-N 1 1 373.434 3.111 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437844082 500705524 /nfs/dbraw/zinc/70/55/24/500705524.db2.gz SGEHVKSMNASSQQ-QFBILLFUSA-N 1 1 355.482 3.239 20 30 FGEDMO CC1CC[NH+]([C@H](CNC(=O)c2ccc(C#N)c(O)c2)c2ccccc2)CC1 ZINC000443313973 500708475 /nfs/dbraw/zinc/70/84/75/500708475.db2.gz BPEOJNGJIDNKIW-HXUWFJFHSA-N 1 1 363.461 3.467 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000443446090 500725971 /nfs/dbraw/zinc/72/59/71/500725971.db2.gz OKTHEEPFBGOLQV-UKRRQHHQSA-N 1 1 353.426 3.324 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000443518173 500733244 /nfs/dbraw/zinc/73/32/44/500733244.db2.gz KYDQECDWKZRDBN-OAHLLOKOSA-N 1 1 365.437 3.183 20 30 FGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433952964 500770365 /nfs/dbraw/zinc/77/03/65/500770365.db2.gz YQRVVEHHPAFOJX-HXUWFJFHSA-N 1 1 354.498 3.497 20 30 FGEDMO C=CCOc1ccc(CC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000448680595 500802110 /nfs/dbraw/zinc/80/21/10/500802110.db2.gz JEJMLWPVHKXYOJ-INIZCTEOSA-N 1 1 370.518 3.418 20 30 FGEDMO CCOC(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438640808 500810149 /nfs/dbraw/zinc/81/01/49/500810149.db2.gz JDOJQZFEFBOFLJ-HNNXBMFYSA-N 1 1 355.356 3.212 20 30 FGEDMO CCOC(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438640808 500810152 /nfs/dbraw/zinc/81/01/52/500810152.db2.gz JDOJQZFEFBOFLJ-HNNXBMFYSA-N 1 1 355.356 3.212 20 30 FGEDMO CC[C@@](C)(O)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1 ZINC000439264148 500877289 /nfs/dbraw/zinc/87/72/89/500877289.db2.gz VFXUKUXOCRYVMM-OAQYLSRUSA-N 1 1 371.525 3.334 20 30 FGEDMO Cc1ccc(CNC(=O)NCc2ccc(C#N)cc2F)c(N2CCCC2)[nH+]1 ZINC000611581517 506222026 /nfs/dbraw/zinc/22/20/26/506222026.db2.gz OARBDUMASUNBFE-UHFFFAOYSA-N 1 1 367.428 3.000 20 30 FGEDMO C=CC[C@@H]1[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CCCC1(C)C ZINC000444784260 500900298 /nfs/dbraw/zinc/90/02/98/500900298.db2.gz NDOSRZZDVXTWKA-IBGZPJMESA-N 1 1 360.498 3.387 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCOCc1ccccc1 ZINC000439467503 500900981 /nfs/dbraw/zinc/90/09/81/500900981.db2.gz JKNFVVPXJDZDPZ-GOSISDBHSA-N 1 1 357.498 3.256 20 30 FGEDMO COc1ccc(C[N@@H+](C[C@@H](O)COc2ccccc2)C(C)C)cc1C#N ZINC000444801258 500903182 /nfs/dbraw/zinc/90/31/82/500903182.db2.gz LHLAILRSNXTAQC-LJQANCHMSA-N 1 1 354.450 3.217 20 30 FGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000434891156 500908159 /nfs/dbraw/zinc/90/81/59/500908159.db2.gz FKMRVFXSJTWTFO-JXFKEZNVSA-N 1 1 354.475 3.210 20 30 FGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000434891156 500908161 /nfs/dbraw/zinc/90/81/61/500908161.db2.gz FKMRVFXSJTWTFO-JXFKEZNVSA-N 1 1 354.475 3.210 20 30 FGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1(CC)CC ZINC000434975258 500917947 /nfs/dbraw/zinc/91/79/47/500917947.db2.gz AWYXUFAJYPLCDD-MOPGFXCFSA-N 1 1 357.498 3.090 20 30 FGEDMO N#Cc1cccc(C2(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)c1 ZINC000435011073 500922436 /nfs/dbraw/zinc/92/24/36/500922436.db2.gz GGMPVMNQFAKYFN-OAQYLSRUSA-N 1 1 373.500 3.271 20 30 FGEDMO COc1cccc(F)c1[C@H](C)[NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439648249 500922977 /nfs/dbraw/zinc/92/29/77/500922977.db2.gz OQVDZGHONDWYQR-SUMWQHHRSA-N 1 1 353.397 3.162 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[NH+](C)C ZINC000435031663 500924741 /nfs/dbraw/zinc/92/47/41/500924741.db2.gz CIRYTPOGBQPQHR-IBGZPJMESA-N 1 1 363.461 3.018 20 30 FGEDMO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000435164000 500939832 /nfs/dbraw/zinc/93/98/32/500939832.db2.gz GDSVMTIIEFPWMD-GOSISDBHSA-N 1 1 352.413 3.483 20 30 FGEDMO CC[N@@H+]1CCc2nc(NC(=O)C3(c4cccc(C#N)c4)CC3)sc2C1 ZINC000435180017 500941258 /nfs/dbraw/zinc/94/12/58/500941258.db2.gz ATHFMOJHKPKSKG-UHFFFAOYSA-N 1 1 352.463 3.063 20 30 FGEDMO CC[N@H+]1CCc2nc(NC(=O)C3(c4cccc(C#N)c4)CC3)sc2C1 ZINC000435180017 500941261 /nfs/dbraw/zinc/94/12/61/500941261.db2.gz ATHFMOJHKPKSKG-UHFFFAOYSA-N 1 1 352.463 3.063 20 30 FGEDMO C=CCCCC[C@H](C)[NH2+]c1ccc(N2CCS(=O)(=O)CC2)cc1OC ZINC000449247551 500956547 /nfs/dbraw/zinc/95/65/47/500956547.db2.gz GKFVBIJDQPSAJB-INIZCTEOSA-N 1 1 366.527 3.477 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccnc3c(Br)cccc23)C1=O ZINC000449302148 500970991 /nfs/dbraw/zinc/97/09/91/500970991.db2.gz JDXBNYNDXROINF-INIZCTEOSA-N 1 1 374.282 3.216 20 30 FGEDMO C[N@@H+](CCOc1cccc(C#N)c1)C1CCN(CCC(F)(F)F)CC1 ZINC000445360366 500977328 /nfs/dbraw/zinc/97/73/28/500977328.db2.gz ZYFUKWRAAACAPO-UHFFFAOYSA-N 1 1 355.404 3.286 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000440456056 501009977 /nfs/dbraw/zinc/00/99/77/501009977.db2.gz YGWPFXXIYXDCOG-UHFFFAOYSA-N 1 1 363.461 3.303 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449907979 501123194 /nfs/dbraw/zinc/12/31/94/501123194.db2.gz RBEOMRQMXLRLRU-HNAYVOBHSA-N 1 1 350.466 3.320 20 30 FGEDMO CCCn1cc[nH+]c1CCCN(C)c1ncc(Br)cc1C#N ZINC000450489881 501134425 /nfs/dbraw/zinc/13/44/25/501134425.db2.gz RLTFJACOEYYGJS-UHFFFAOYSA-N 1 1 362.275 3.391 20 30 FGEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(C#N)c1Br ZINC000449963760 501138872 /nfs/dbraw/zinc/13/88/72/501138872.db2.gz CBWKVQJUGXJONB-CQSZACIVSA-N 1 1 364.287 3.267 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000450011716 501154013 /nfs/dbraw/zinc/15/40/13/501154013.db2.gz WRGIZKIGFOPMIU-AWEZNQCLSA-N 1 1 352.438 3.168 20 30 FGEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000446837124 501171094 /nfs/dbraw/zinc/17/10/94/501171094.db2.gz YATWLQZRBCZRGR-MRXNPFEDSA-N 1 1 352.434 3.378 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCc2nccc(Br)c2C1 ZINC000598945135 506238626 /nfs/dbraw/zinc/23/86/26/506238626.db2.gz FGMNTJDWKISGGJ-UHFFFAOYSA-N 1 1 358.239 3.283 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2nccc(Br)c2C1 ZINC000598945135 506238633 /nfs/dbraw/zinc/23/86/33/506238633.db2.gz FGMNTJDWKISGGJ-UHFFFAOYSA-N 1 1 358.239 3.283 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1OC ZINC000446976676 501189970 /nfs/dbraw/zinc/18/99/70/501189970.db2.gz IQXUKXJCXQHQRX-WMLDXEAASA-N 1 1 359.388 3.395 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)C1CC1 ZINC000450765339 501204654 /nfs/dbraw/zinc/20/46/54/501204654.db2.gz RRWAWOZVHXDKLQ-KNQAVFIVSA-N 1 1 351.494 3.487 20 30 FGEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442187738 501205592 /nfs/dbraw/zinc/20/55/92/501205592.db2.gz XBRWKILDAGXKDC-NSHDSACASA-N 1 1 358.364 3.309 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@H](C)C(C)(C)O)c1C#N ZINC000451372594 501277350 /nfs/dbraw/zinc/27/73/50/501277350.db2.gz QRIMBNIAGMZXBK-OAHLLOKOSA-N 1 1 360.502 3.121 20 30 FGEDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)ncc1C#N ZINC000457672446 501283581 /nfs/dbraw/zinc/28/35/81/501283581.db2.gz CDUDSUCJSNQRRG-WMZOPIPTSA-N 1 1 354.841 3.090 20 30 FGEDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)ncc1C#N ZINC000457672446 501283582 /nfs/dbraw/zinc/28/35/82/501283582.db2.gz CDUDSUCJSNQRRG-WMZOPIPTSA-N 1 1 354.841 3.090 20 30 FGEDMO CC[N@@H+](CCC1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1)CC1CC1 ZINC000457686996 501286801 /nfs/dbraw/zinc/28/68/01/501286801.db2.gz FSBNVQZGWAJOPY-UHFFFAOYSA-N 1 1 354.498 3.236 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@@H](O)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000451461744 501297848 /nfs/dbraw/zinc/29/78/48/501297848.db2.gz STLUYFJSIZSHSC-OXQOHEQNSA-N 1 1 366.461 3.491 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544083 501318700 /nfs/dbraw/zinc/31/87/00/501318700.db2.gz DMNWEHXVQKHTOY-WRWLIDTKSA-N 1 1 372.469 3.217 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544083 501318703 /nfs/dbraw/zinc/31/87/03/501318703.db2.gz DMNWEHXVQKHTOY-WRWLIDTKSA-N 1 1 372.469 3.217 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451552428 501321838 /nfs/dbraw/zinc/32/18/38/501321838.db2.gz MWLYMBSWRPOJEE-VQIMIIECSA-N 1 1 373.497 3.077 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451552428 501321841 /nfs/dbraw/zinc/32/18/41/501321841.db2.gz MWLYMBSWRPOJEE-VQIMIIECSA-N 1 1 373.497 3.077 20 30 FGEDMO CC(C)(CC#N)CNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000457887236 501327928 /nfs/dbraw/zinc/32/79/28/501327928.db2.gz JQPYDERPJYNISO-UHFFFAOYSA-N 1 1 364.440 3.168 20 30 FGEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000453424340 501328547 /nfs/dbraw/zinc/32/85/47/501328547.db2.gz IRYHTPAWIPNDBD-MJGOQNOKSA-N 1 1 367.497 3.059 20 30 FGEDMO C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000453440825 501332982 /nfs/dbraw/zinc/33/29/82/501332982.db2.gz NGDDFBAFDMUAFJ-NEWSRXKRSA-N 1 1 371.529 3.159 20 30 FGEDMO C=C(C)Cn1c(N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453462546 501338807 /nfs/dbraw/zinc/33/88/07/501338807.db2.gz HJWDOXPSHHHYGJ-QKLQHJQFSA-N 1 1 361.534 3.189 20 30 FGEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000453463456 501339140 /nfs/dbraw/zinc/33/91/40/501339140.db2.gz JNGYLCZJDAWWMF-QGZVFWFLSA-N 1 1 357.502 3.151 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453468200 501340306 /nfs/dbraw/zinc/34/03/06/501340306.db2.gz XIXAZBAAYNEOEA-FQBWVUSXSA-N 1 1 373.545 3.261 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1Cl ZINC000451699511 501354706 /nfs/dbraw/zinc/35/47/06/501354706.db2.gz VJZJWFOUQJNCJL-KMFMINBZSA-N 1 1 361.873 3.023 20 30 FGEDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455777174 501384401 /nfs/dbraw/zinc/38/44/01/501384401.db2.gz FRNLLTYWQHHDHD-ZDUSSCGKSA-N 1 1 358.833 3.235 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(CC#N)c2)[C@@H](C)C1 ZINC000455922630 501416612 /nfs/dbraw/zinc/41/66/12/501416612.db2.gz RGYPKUJLQTUNFE-QFBILLFUSA-N 1 1 358.486 3.011 20 30 FGEDMO COC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000452036516 501422484 /nfs/dbraw/zinc/42/24/84/501422484.db2.gz JCUKLYCBVLCMKX-QGZVFWFLSA-N 1 1 363.889 3.396 20 30 FGEDMO COC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000452036516 501422486 /nfs/dbraw/zinc/42/24/86/501422486.db2.gz JCUKLYCBVLCMKX-QGZVFWFLSA-N 1 1 363.889 3.396 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000452981784 501596076 /nfs/dbraw/zinc/59/60/76/501596076.db2.gz APVASPFMWKFDBJ-DOMZBBRYSA-N 1 1 354.372 3.046 20 30 FGEDMO N#Cc1cc2cccnc2nc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000596107361 506263777 /nfs/dbraw/zinc/26/37/77/506263777.db2.gz MQXPYIABYMUWOT-SFHVURJKSA-N 1 1 357.461 3.478 20 30 FGEDMO N#C[C@H]1C[N@@H+](CCc2cccc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000459362945 501639613 /nfs/dbraw/zinc/63/96/13/501639613.db2.gz QTDXWTPCKLJHFV-YWZLYKJASA-N 1 1 351.837 3.228 20 30 FGEDMO N#C[C@H]1C[N@H+](CCc2cccc(Cl)c2)C[C@]12C(=O)Nc1ccccc12 ZINC000459362945 501639614 /nfs/dbraw/zinc/63/96/14/501639614.db2.gz QTDXWTPCKLJHFV-YWZLYKJASA-N 1 1 351.837 3.228 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000457108682 501652059 /nfs/dbraw/zinc/65/20/59/501652059.db2.gz GDWVPWFIMXVLAR-SFHVURJKSA-N 1 1 367.449 3.285 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2)C1=O ZINC000459442387 501654479 /nfs/dbraw/zinc/65/44/79/501654479.db2.gz ZVYKNPLDWGROMW-CQSZACIVSA-N 1 1 357.679 3.321 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Br)c2)C1=O ZINC000459442387 501654482 /nfs/dbraw/zinc/65/44/82/501654482.db2.gz ZVYKNPLDWGROMW-CQSZACIVSA-N 1 1 357.679 3.321 20 30 FGEDMO CN1CC[C@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000459444179 501655032 /nfs/dbraw/zinc/65/50/32/501655032.db2.gz QTNGNTOLPRSSJC-HKUYNNGSSA-N 1 1 372.375 3.280 20 30 FGEDMO CC[C@@H](CNC(=O)Nc1snc(C)c1C#N)[N@H+]1CCc2ccccc2C1 ZINC000459552481 501675132 /nfs/dbraw/zinc/67/51/32/501675132.db2.gz UHPWBDDPWCGMET-INIZCTEOSA-N 1 1 369.494 3.282 20 30 FGEDMO C=CCCCN(C)C(=O)C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460060893 501725701 /nfs/dbraw/zinc/72/57/01/501725701.db2.gz UENKCUVJQQFYPZ-AZUAARDMSA-N 1 1 371.525 3.095 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCCc2cccnc21 ZINC000481315117 501742372 /nfs/dbraw/zinc/74/23/72/501742372.db2.gz BXJJQPNBSYWEPJ-RXVVDRJESA-N 1 1 356.514 3.471 20 30 FGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(I)c1 ZINC000467293503 501762611 /nfs/dbraw/zinc/76/26/11/501762611.db2.gz KZJPXWAEMAEOOB-LLVKDONJSA-N 1 1 358.223 3.126 20 30 FGEDMO C=CCOCCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000470721563 501782384 /nfs/dbraw/zinc/78/23/84/501782384.db2.gz DPOGGTMFMRMSGB-UHFFFAOYSA-N 1 1 357.281 3.344 20 30 FGEDMO C=CCc1ccc(OCC(=O)N2CC[N@@H+](C)CC23CCCCC3)c(OC)c1 ZINC000467469080 501802014 /nfs/dbraw/zinc/80/20/14/501802014.db2.gz RKNJLZOVKDCWQD-UHFFFAOYSA-N 1 1 372.509 3.279 20 30 FGEDMO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000470924227 501857839 /nfs/dbraw/zinc/85/78/39/501857839.db2.gz UOSBZLXLZFIBEL-DNVCBOLYSA-N 1 1 361.511 3.378 20 30 FGEDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000470924227 501857840 /nfs/dbraw/zinc/85/78/40/501857840.db2.gz UOSBZLXLZFIBEL-DNVCBOLYSA-N 1 1 361.511 3.378 20 30 FGEDMO CC[N@@H+](CCCO)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000471031461 501896111 /nfs/dbraw/zinc/89/61/11/501896111.db2.gz VEGRYEQKMLTIKV-UHFFFAOYSA-N 1 1 360.502 3.125 20 30 FGEDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1OCCCC#N ZINC000485723007 501915562 /nfs/dbraw/zinc/91/55/62/501915562.db2.gz ZQTFWQHJCCLWAC-OAHLLOKOSA-N 1 1 361.486 3.113 20 30 FGEDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)cc1OCCCC#N ZINC000485723007 501915567 /nfs/dbraw/zinc/91/55/67/501915567.db2.gz ZQTFWQHJCCLWAC-OAHLLOKOSA-N 1 1 361.486 3.113 20 30 FGEDMO C[N@@H+](CCOc1ccc(F)cc1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485820390 501951139 /nfs/dbraw/zinc/95/11/39/501951139.db2.gz WKJPGGKIQFGDLZ-HXUWFJFHSA-N 1 1 367.424 3.204 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000468267525 502012172 /nfs/dbraw/zinc/01/21/72/502012172.db2.gz DVRZOMQTCPYXTH-UHFFFAOYSA-N 1 1 353.441 3.414 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)ccc1OC ZINC000482456955 502075032 /nfs/dbraw/zinc/07/50/32/502075032.db2.gz PVGZKMAWQNRFFT-LAUBAEHRSA-N 1 1 361.482 3.420 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)ccc1OC ZINC000482456955 502075036 /nfs/dbraw/zinc/07/50/36/502075036.db2.gz PVGZKMAWQNRFFT-LAUBAEHRSA-N 1 1 361.482 3.420 20 30 FGEDMO N#C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1ccccc1F ZINC000486436446 502153945 /nfs/dbraw/zinc/15/39/45/502153945.db2.gz MGNGSHDLJKFEQY-HNNXBMFYSA-N 1 1 371.322 3.339 20 30 FGEDMO C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)C(=O)NC1(C#N)CCC1 ZINC000468825347 502196817 /nfs/dbraw/zinc/19/68/17/502196817.db2.gz DGPQIJJPNDRZRI-GOSISDBHSA-N 1 1 368.525 3.103 20 30 FGEDMO Cc1nc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(Cl)cc1C#N ZINC000461932915 502243487 /nfs/dbraw/zinc/24/34/87/502243487.db2.gz DTSBUFVCAMDBCL-SFHVURJKSA-N 1 1 370.884 3.484 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)c1C#N ZINC000472150944 502249306 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FGEDMO C[N@@H+](CC(=O)N[C@H](C#N)c1ccc(Br)cc1)Cc1ccccc1 ZINC000499430341 503402170 /nfs/dbraw/zinc/40/21/70/503402170.db2.gz IJXKPETYIPSVIE-QGZVFWFLSA-N 1 1 372.266 3.262 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+]2CC=C(c3cccc(Br)c3)CC2)C1=O ZINC000499628688 503446506 /nfs/dbraw/zinc/44/65/06/503446506.db2.gz YVQWMJULHQFYGV-KRWDZBQOSA-N 1 1 361.283 3.325 20 30 FGEDMO C=CCN1CC[C@H]([N@H+]2CC=C(c3cccc(Br)c3)CC2)C1=O ZINC000499628688 503446509 /nfs/dbraw/zinc/44/65/09/503446509.db2.gz YVQWMJULHQFYGV-KRWDZBQOSA-N 1 1 361.283 3.325 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)o2)cc1 ZINC000516148420 503455725 /nfs/dbraw/zinc/45/57/25/503455725.db2.gz ZTVZLLJXBCSAQY-RCCFBDPRSA-N 1 1 352.438 3.124 20 30 FGEDMO C=C(C)C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(CO)o1 ZINC000512163272 503473583 /nfs/dbraw/zinc/47/35/83/503473583.db2.gz FIIPABBYFYYOSF-UHFFFAOYSA-N 1 1 359.451 3.112 20 30 FGEDMO CC[C@]1(O)CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000602983789 506373965 /nfs/dbraw/zinc/37/39/65/506373965.db2.gz UBKXQXLEHVNERA-KXBFYZLASA-N 1 1 361.511 3.114 20 30 FGEDMO CC[C@]1(O)CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000602983789 506373967 /nfs/dbraw/zinc/37/39/67/506373967.db2.gz UBKXQXLEHVNERA-KXBFYZLASA-N 1 1 361.511 3.114 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCC#Cc2cccc(F)c2)c1 ZINC000512165059 503474334 /nfs/dbraw/zinc/47/43/34/503474334.db2.gz KGZHUCXSSXRTGP-UHFFFAOYSA-N 1 1 353.441 3.128 20 30 FGEDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000499765887 503477076 /nfs/dbraw/zinc/47/70/76/503477076.db2.gz AIAGAHIYQLDZDZ-DENIHFKCSA-N 1 1 372.509 3.129 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000512213980 503488138 /nfs/dbraw/zinc/48/81/38/503488138.db2.gz QVHDPZZRPUNYMV-MRXNPFEDSA-N 1 1 365.857 3.243 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccn(-c4ccccc4)n3)C2=O)cc1 ZINC000503947241 503495393 /nfs/dbraw/zinc/49/53/93/503495393.db2.gz RULWTNDXPNEFHR-OAQYLSRUSA-N 1 1 371.444 3.029 20 30 FGEDMO N#C[C@@]1(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC12CCCC2 ZINC000582707147 506376590 /nfs/dbraw/zinc/37/65/90/506376590.db2.gz DXRKBLFBNBNRKM-WIYYLYMNSA-N 1 1 369.534 3.194 20 30 FGEDMO N#C[C@@]1(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC12CCCC2 ZINC000582707147 506376598 /nfs/dbraw/zinc/37/65/98/506376598.db2.gz DXRKBLFBNBNRKM-WIYYLYMNSA-N 1 1 369.534 3.194 20 30 FGEDMO N#CCCOCC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000516552363 503534572 /nfs/dbraw/zinc/53/45/72/503534572.db2.gz FTSZBJFAPHRDEO-UHFFFAOYSA-N 1 1 367.287 3.360 20 30 FGEDMO Cc1ccc(C#N)c(NCCCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000500271564 503593570 /nfs/dbraw/zinc/59/35/70/503593570.db2.gz KKLYZAVIIOQBGH-UHFFFAOYSA-N 1 1 363.509 3.272 20 30 FGEDMO C=CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508930635 503603230 /nfs/dbraw/zinc/60/32/30/503603230.db2.gz FUPLIBRWVKXMEQ-KRWDZBQOSA-N 1 1 354.502 3.003 20 30 FGEDMO C=C(CNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000512676495 503609997 /nfs/dbraw/zinc/60/99/97/503609997.db2.gz CWRSDXDCKTYQRH-KDURUIRLSA-N 1 1 371.525 3.231 20 30 FGEDMO CSCC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nnc2ccccn21 ZINC000494799122 503613045 /nfs/dbraw/zinc/61/30/45/503613045.db2.gz HUVGLYSVMVRFFE-QGZVFWFLSA-N 1 1 351.479 3.379 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000516918673 503619081 /nfs/dbraw/zinc/61/90/81/503619081.db2.gz UCTLFGWURMWBQV-MRXNPFEDSA-N 1 1 359.489 3.459 20 30 FGEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc(OC)c1 ZINC000532929126 503661184 /nfs/dbraw/zinc/66/11/84/503661184.db2.gz XQAMUSXPADNQHC-CQSZACIVSA-N 1 1 353.422 3.034 20 30 FGEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc(OC)c1 ZINC000532929126 503661192 /nfs/dbraw/zinc/66/11/92/503661192.db2.gz XQAMUSXPADNQHC-CQSZACIVSA-N 1 1 353.422 3.034 20 30 FGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@H](C(N)=O)c4ccc(C#N)cc4)C3)nc2c1 ZINC000540320048 503736255 /nfs/dbraw/zinc/73/62/55/503736255.db2.gz XWNHCMMDALBMMY-XLIONFOSSA-N 1 1 373.460 3.149 20 30 FGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@H](C(N)=O)c4ccc(C#N)cc4)C3)nc2c1 ZINC000540320048 503736259 /nfs/dbraw/zinc/73/62/59/503736259.db2.gz XWNHCMMDALBMMY-XLIONFOSSA-N 1 1 373.460 3.149 20 30 FGEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@H](C(N)=O)c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000540320048 503736264 /nfs/dbraw/zinc/73/62/64/503736264.db2.gz XWNHCMMDALBMMY-XLIONFOSSA-N 1 1 373.460 3.149 20 30 FGEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@H](C(N)=O)c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000540320048 503736267 /nfs/dbraw/zinc/73/62/67/503736267.db2.gz XWNHCMMDALBMMY-XLIONFOSSA-N 1 1 373.460 3.149 20 30 FGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H](C(N)=O)c4ccc(C#N)cc4)C3)nc2c1 ZINC000540320045 503736503 /nfs/dbraw/zinc/73/65/03/503736503.db2.gz XWNHCMMDALBMMY-PXNSSMCTSA-N 1 1 373.460 3.149 20 30 FGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@H](C(N)=O)c4ccc(C#N)cc4)C3)nc2c1 ZINC000540320045 503736504 /nfs/dbraw/zinc/73/65/04/503736504.db2.gz XWNHCMMDALBMMY-PXNSSMCTSA-N 1 1 373.460 3.149 20 30 FGEDMO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@H](C(N)=O)c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000540320045 503736505 /nfs/dbraw/zinc/73/65/05/503736505.db2.gz XWNHCMMDALBMMY-PXNSSMCTSA-N 1 1 373.460 3.149 20 30 FGEDMO Cc1ccc2nc([C@H]3CCC[N@H+]([C@H](C(N)=O)c4ccc(C#N)cc4)C3)[nH]c2c1 ZINC000540320045 503736506 /nfs/dbraw/zinc/73/65/06/503736506.db2.gz XWNHCMMDALBMMY-PXNSSMCTSA-N 1 1 373.460 3.149 20 30 FGEDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccccc1Sc1ccccc1C#N ZINC000517557884 503770440 /nfs/dbraw/zinc/77/04/40/503770440.db2.gz WDTHJCIBVFDEQP-OAHLLOKOSA-N 1 1 351.475 3.486 20 30 FGEDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1Sc1ccccc1C#N ZINC000517557884 503770446 /nfs/dbraw/zinc/77/04/46/503770446.db2.gz WDTHJCIBVFDEQP-OAHLLOKOSA-N 1 1 351.475 3.486 20 30 FGEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000540458070 503777087 /nfs/dbraw/zinc/77/70/87/503777087.db2.gz MHWIIWJBWDPGSO-MJGOQNOKSA-N 1 1 365.477 3.287 20 30 FGEDMO C=CCOc1cccnc1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000540473830 503782064 /nfs/dbraw/zinc/78/20/64/503782064.db2.gz UXZNEPUZGOXTBM-UHFFFAOYSA-N 1 1 365.477 3.383 20 30 FGEDMO C=CCOc1cccnc1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000540473830 503782068 /nfs/dbraw/zinc/78/20/68/503782068.db2.gz UXZNEPUZGOXTBM-UHFFFAOYSA-N 1 1 365.477 3.383 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000533281191 503790055 /nfs/dbraw/zinc/79/00/55/503790055.db2.gz NJWVZNTYBOIVJU-MRXNPFEDSA-N 1 1 351.450 3.458 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000533281190 503790678 /nfs/dbraw/zinc/79/06/78/503790678.db2.gz NJWVZNTYBOIVJU-INIZCTEOSA-N 1 1 351.450 3.458 20 30 FGEDMO C=CCOc1cccnc1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000537090141 503798827 /nfs/dbraw/zinc/79/88/27/503798827.db2.gz MGLFRIFJIOWWDR-MRXNPFEDSA-N 1 1 367.449 3.292 20 30 FGEDMO COc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527577092 503840427 /nfs/dbraw/zinc/84/04/27/503840427.db2.gz JQCOKIPFETWLTF-UHFFFAOYSA-N 1 1 367.449 3.171 20 30 FGEDMO C[C@@H](c1ccc(-c2ccc(F)c(C#N)c2)cc1)N1CC[NH+](CCO)CC1 ZINC000527586740 503843753 /nfs/dbraw/zinc/84/37/53/503843753.db2.gz GLWQGAQJDOAKQW-INIZCTEOSA-N 1 1 353.441 3.035 20 30 FGEDMO Cc1nc(SCC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c(C#N)c(C)c1C ZINC000518052540 503899798 /nfs/dbraw/zinc/89/97/98/503899798.db2.gz OTCIRDDCQKFCQI-ZIAGYGMSSA-N 1 1 374.554 3.207 20 30 FGEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000543809788 503901136 /nfs/dbraw/zinc/90/11/36/503901136.db2.gz KWDAUDZBKPTFAC-INIZCTEOSA-N 1 1 350.340 3.409 20 30 FGEDMO C[C@@H](C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000543949001 503947344 /nfs/dbraw/zinc/94/73/44/503947344.db2.gz PRMWJNKWBRCNQK-MJBXVCDLSA-N 1 1 371.872 3.019 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](COc4ccccc4)C3)C2=O)cc1 ZINC000540944449 503949602 /nfs/dbraw/zinc/94/96/02/503949602.db2.gz ACEAOQFGWOUTED-NQIIRXRSSA-N 1 1 361.445 3.064 20 30 FGEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000518399100 503973694 /nfs/dbraw/zinc/97/36/94/503973694.db2.gz DYPZPRGTAXHYLN-OAHLLOKOSA-N 1 1 352.438 3.206 20 30 FGEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000544071062 503996953 /nfs/dbraw/zinc/99/69/53/503996953.db2.gz LRRVBTPVSIHTIJ-IBGZPJMESA-N 1 1 352.413 3.288 20 30 FGEDMO C[N@H+]1CCCC12CCN(CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000541335029 504094912 /nfs/dbraw/zinc/09/49/12/504094912.db2.gz GYRLHRXGRXMEEQ-UHFFFAOYSA-N 1 1 352.400 3.497 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CCCCOc1cccc(C#N)c1 ZINC000518924282 504095064 /nfs/dbraw/zinc/09/50/64/504095064.db2.gz YIOYVTUUKMEGJO-QZTJIDSGSA-N 1 1 357.498 3.344 20 30 FGEDMO C=C(C)[C@H](CC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)OCC ZINC000534418161 504136646 /nfs/dbraw/zinc/13/66/46/504136646.db2.gz RCNJASCPTMVDCZ-XLIONFOSSA-N 1 1 360.498 3.272 20 30 FGEDMO C=CCOc1cccnc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000538190908 504156133 /nfs/dbraw/zinc/15/61/33/504156133.db2.gz KBEDUCXHILEAKT-SFHVURJKSA-N 1 1 351.450 3.041 20 30 FGEDMO C=CCOc1cccnc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000538248183 504176748 /nfs/dbraw/zinc/17/67/48/504176748.db2.gz MCVLGUVPXMHFNV-MRXNPFEDSA-N 1 1 359.857 3.333 20 30 FGEDMO C=CCOc1cccnc1C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000538270282 504182195 /nfs/dbraw/zinc/18/21/95/504182195.db2.gz PJMJTSVZQFWOCT-WMZOPIPTSA-N 1 1 351.450 3.039 20 30 FGEDMO N#Cc1ccc(N2CCN(c3cc[nH+]cc3Br)CC2)c(F)c1 ZINC000547825017 504237908 /nfs/dbraw/zinc/23/79/08/504237908.db2.gz YXHBVKQJQWMWGB-UHFFFAOYSA-N 1 1 361.218 3.181 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000534790170 504241107 /nfs/dbraw/zinc/24/11/07/504241107.db2.gz UTIRUFVIXRRKKR-VQTJNVASSA-N 1 1 367.880 3.436 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000534790170 504241111 /nfs/dbraw/zinc/24/11/11/504241111.db2.gz UTIRUFVIXRRKKR-VQTJNVASSA-N 1 1 367.880 3.436 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)N2CCC(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000541921496 504301724 /nfs/dbraw/zinc/30/17/24/504301724.db2.gz JVQDDDIODVBFMI-PXNSSMCTSA-N 1 1 354.498 3.375 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[N@H+]1C1CC1 ZINC000531482921 504323600 /nfs/dbraw/zinc/32/36/00/504323600.db2.gz VZBCWUDBLBOQSS-YOEHRIQHSA-N 1 1 362.433 3.101 20 30 FGEDMO C=CCn1c(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1ccccc1C ZINC000542005980 504332631 /nfs/dbraw/zinc/33/26/31/504332631.db2.gz KZYPGNPBVMEOHD-CALCHBBNSA-N 1 1 370.522 3.395 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000531547860 504342668 /nfs/dbraw/zinc/34/26/68/504342668.db2.gz AUPBTUCDVOKLLL-QUCCMNQESA-N 1 1 355.482 3.051 20 30 FGEDMO C=CC[N@@H+](Cc1cccc2c1OCO2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538731465 504348215 /nfs/dbraw/zinc/34/82/15/504348215.db2.gz NFGPGCYYXOMKNP-OAHLLOKOSA-N 1 1 363.421 3.140 20 30 FGEDMO COc1cccc(C[C@H]2CCCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000528749578 504363583 /nfs/dbraw/zinc/36/35/83/504363583.db2.gz LYKQYJPGXNGLOP-KNQAVFIVSA-N 1 1 369.509 3.291 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CO[C@@H](C)Cc1[nH]cc[nH+]1 ZINC000542101953 504364001 /nfs/dbraw/zinc/36/40/01/504364001.db2.gz HJIFZPCBTUPSNU-KGLIPLIRSA-N 1 1 358.467 3.248 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC(F)(F)C[C@H]2C)c(OC)c1 ZINC000528770005 504373142 /nfs/dbraw/zinc/37/31/42/504373142.db2.gz SHGQGENETNGJNO-ZBFHGGJFSA-N 1 1 355.425 3.283 20 30 FGEDMO C[C@@H]1[C@H](C)N(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+]1C ZINC000538955094 504428604 /nfs/dbraw/zinc/42/86/04/504428604.db2.gz ZEMHIGLFIRWUCB-CABCVRRESA-N 1 1 374.554 3.242 20 30 FGEDMO C[C@@H]1[C@H](C)[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000538955094 504428608 /nfs/dbraw/zinc/42/86/08/504428608.db2.gz ZEMHIGLFIRWUCB-CABCVRRESA-N 1 1 374.554 3.242 20 30 FGEDMO C[C@@H]1[C@H](C)[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1C ZINC000538955094 504428614 /nfs/dbraw/zinc/42/86/14/504428614.db2.gz ZEMHIGLFIRWUCB-CABCVRRESA-N 1 1 374.554 3.242 20 30 FGEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000520211346 504435951 /nfs/dbraw/zinc/43/59/51/504435951.db2.gz DHAMCBBQNULNGM-GHTZIAJQSA-N 1 1 354.450 3.390 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1F ZINC000539244197 504509563 /nfs/dbraw/zinc/50/95/63/504509563.db2.gz DLVUYKXQCVZWDD-GOSISDBHSA-N 1 1 355.457 3.312 20 30 FGEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3F)C2)n1 ZINC000539249837 504512783 /nfs/dbraw/zinc/51/27/83/504512783.db2.gz JMHZNFVAAZDOKM-QGZVFWFLSA-N 1 1 352.413 3.252 20 30 FGEDMO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000532154379 504553031 /nfs/dbraw/zinc/55/30/31/504553031.db2.gz GDUHNRIWSOTUEJ-UWJYYQICSA-N 1 1 369.509 3.439 20 30 FGEDMO C=CCn1c(-c2ccccn2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548854161 504593168 /nfs/dbraw/zinc/59/31/68/504593168.db2.gz GQNFXUUZFAAEAU-UHFFFAOYSA-N 1 1 354.502 3.083 20 30 FGEDMO C=C1CC[NH+](CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000520849137 504596290 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C[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1(C)C ZINC000556082757 504792172 /nfs/dbraw/zinc/79/21/72/504792172.db2.gz CTKVTQHEFNCZDT-UHFFFAOYSA-N 1 1 374.554 3.243 20 30 FGEDMO CN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1(C)C ZINC000556082757 504792176 /nfs/dbraw/zinc/79/21/76/504792176.db2.gz CTKVTQHEFNCZDT-UHFFFAOYSA-N 1 1 374.554 3.243 20 30 FGEDMO CN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1(C)C ZINC000556082757 504792181 /nfs/dbraw/zinc/79/21/81/504792181.db2.gz CTKVTQHEFNCZDT-UHFFFAOYSA-N 1 1 374.554 3.243 20 30 FGEDMO CC[NH+](CC)Cc1ccc(C(O)=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000556181353 504813395 /nfs/dbraw/zinc/81/33/95/504813395.db2.gz MLGZZKKJEJMOIS-SFHVURJKSA-N 1 1 365.481 3.336 20 30 FGEDMO N#CC1(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000559270705 504815361 /nfs/dbraw/zinc/81/53/61/504815361.db2.gz AJWDCRBBKWYSSD-FXAWDEMLSA-N 1 1 352.409 3.470 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNc2nc3c(cc2C#N)COCC3)[C@H]1c1cccs1 ZINC000556200423 504818177 /nfs/dbraw/zinc/81/81/77/504818177.db2.gz IKWUIFAXMBRTEU-LIRRHRJNSA-N 1 1 368.506 3.004 20 30 FGEDMO CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000556419242 504868949 /nfs/dbraw/zinc/86/89/49/504868949.db2.gz HTHQUVCUILWDJU-FQEVSTJZSA-N 1 1 362.477 3.019 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000556899424 505010120 /nfs/dbraw/zinc/01/01/20/505010120.db2.gz HSCPXIXLXBJDNK-INIZCTEOSA-N 1 1 357.473 3.165 20 30 FGEDMO C[N@@H+](CCc1cccc(NC[C@@H](O)COc2ccc(C#N)cc2)c1)C1CC1 ZINC000563010438 505019025 /nfs/dbraw/zinc/01/90/25/505019025.db2.gz GZTAXXBVXIPLRA-OAQYLSRUSA-N 1 1 365.477 3.047 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cc2c(F)cccc2C#N)CC1 ZINC000557036364 505050484 /nfs/dbraw/zinc/05/04/84/505050484.db2.gz MGMXAXMFOFUJKW-UHFFFAOYSA-N 1 1 353.397 3.013 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000566038247 505061368 /nfs/dbraw/zinc/06/13/68/505061368.db2.gz LGNDPOQWTFDAMK-HTAPYJJXSA-N 1 1 367.493 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COc1ccccc1[C@H]1C[C@@H](C)CC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000560521368 505112943 /nfs/dbraw/zinc/11/29/43/505112943.db2.gz JWJRWQKARUHPAZ-KLHJMIIUSA-N 1 1 355.482 3.277 20 30 FGEDMO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cn2ccccc2n1 ZINC000550919485 505124561 /nfs/dbraw/zinc/12/45/61/505124561.db2.gz OWRDQFYISZIPHZ-QAPCUYQASA-N 1 1 359.433 3.052 20 30 FGEDMO N#Cc1ccc(CN2CCCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000551072349 505152862 /nfs/dbraw/zinc/15/28/62/505152862.db2.gz UXVNTDFFZNVYTB-DEOSSOPVSA-N 1 1 374.532 3.340 20 30 FGEDMO N#Cc1ccc(CN2CCCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000551072349 505152865 /nfs/dbraw/zinc/15/28/65/505152865.db2.gz UXVNTDFFZNVYTB-DEOSSOPVSA-N 1 1 374.532 3.340 20 30 FGEDMO C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)C1 ZINC000566438879 505176887 /nfs/dbraw/zinc/17/68/87/505176887.db2.gz VEIKYCCZMHMIDK-UWJYYQICSA-N 1 1 363.461 3.288 20 30 FGEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000554559422 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354.494 3.353 20 30 FGEDMO Cc1cc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C#N)n1 ZINC000564356469 505394100 /nfs/dbraw/zinc/39/41/00/505394100.db2.gz JAXFIARXZKSQEQ-CALCHBBNSA-N 1 1 350.466 3.483 20 30 FGEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc4cc(C#N)ccc4n3)c2)CCO1 ZINC000564385707 505402977 /nfs/dbraw/zinc/40/29/77/505402977.db2.gz RFBFVQSKBNNZEX-KRWDZBQOSA-N 1 1 372.472 3.361 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc4cc(C#N)ccc4n3)c2)CCO1 ZINC000564385707 505402982 /nfs/dbraw/zinc/40/29/82/505402982.db2.gz RFBFVQSKBNNZEX-KRWDZBQOSA-N 1 1 372.472 3.361 20 30 FGEDMO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000561797231 505439369 /nfs/dbraw/zinc/43/93/69/505439369.db2.gz OBFFOCQXJJELLD-IYBDPMFKSA-N 1 1 353.388 3.227 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000564531168 505442861 /nfs/dbraw/zinc/44/28/61/505442861.db2.gz RJEJYXAYQWQEIM-MJGOQNOKSA-N 1 1 353.466 3.168 20 30 FGEDMO N#Cc1ccnc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 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Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000611348212 507634696 /nfs/dbraw/zinc/63/46/96/507634696.db2.gz SNGMCYOYQYVIBS-ROUUACIJSA-N 1 1 350.466 3.301 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)o2)c1 ZINC000611350554 507635904 /nfs/dbraw/zinc/63/59/04/507635904.db2.gz QHBJYYCEPVCPEF-IRXDYDNUSA-N 1 1 352.438 3.247 20 30 FGEDMO COC[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000611396864 507660899 /nfs/dbraw/zinc/66/08/99/507660899.db2.gz OAKVBVJBSXWWHR-WBVHZDCISA-N 1 1 371.403 3.037 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595757524 507669459 /nfs/dbraw/zinc/66/94/59/507669459.db2.gz KCWJTUYJDYSMRB-JZKQVHKSSA-N 1 1 373.522 3.184 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595757524 507669464 /nfs/dbraw/zinc/66/94/64/507669464.db2.gz KCWJTUYJDYSMRB-JZKQVHKSSA-N 1 1 373.522 3.184 20 30 FGEDMO CC(C)[C@@H](C#N)N1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000611432378 507680131 /nfs/dbraw/zinc/68/01/31/507680131.db2.gz WKJQOIOEDRXORB-QGZVFWFLSA-N 1 1 355.404 3.293 20 30 FGEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 ZINC000595782339 507682387 /nfs/dbraw/zinc/68/23/87/507682387.db2.gz JGDBINUUXVWVQA-CRAIPNDOSA-N 1 1 374.529 3.462 20 30 FGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000592524430 507694590 /nfs/dbraw/zinc/69/45/90/507694590.db2.gz XOWINEWBJRCNLY-FQEVSTJZSA-N 1 1 364.474 3.451 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC2(CCCC2)O1 ZINC000592533493 507697983 /nfs/dbraw/zinc/69/79/83/507697983.db2.gz SCXGABNBAXPFMB-KRWDZBQOSA-N 1 1 365.481 3.392 20 30 FGEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000595826276 507703442 /nfs/dbraw/zinc/70/34/42/507703442.db2.gz LTIPYKHPOHLDBY-IBGZPJMESA-N 1 1 359.433 3.319 20 30 FGEDMO Cc1noc(C(F)F)c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000611498607 507708777 /nfs/dbraw/zinc/70/87/77/507708777.db2.gz KCNZIHVGSDWOJE-UHFFFAOYSA-N 1 1 374.391 3.209 20 30 FGEDMO Cn1cc(C[N@H+]2CCc3ccc(O)cc3CC2)c(-c2ccc(C#N)cc2)n1 ZINC000611518249 507717616 /nfs/dbraw/zinc/71/76/16/507717616.db2.gz ZBJGULVGYHHMDU-UHFFFAOYSA-N 1 1 358.445 3.265 20 30 FGEDMO CC(C)N(C(=O)c1ccc(C#N)n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592694556 507766641 /nfs/dbraw/zinc/76/66/41/507766641.db2.gz HKGAFXBIUTZPAX-LJQANCHMSA-N 1 1 350.466 3.022 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)N[C@H]2C=CCCC2)[C@@H]1c1cnn(C)c1 ZINC000328635417 521614460 /nfs/dbraw/zinc/61/44/60/521614460.db2.gz URTTXIVQPJWTFI-YTQUADARSA-N 1 1 359.518 3.148 20 30 FGEDMO CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736557755 598679631 /nfs/dbraw/zinc/67/96/31/598679631.db2.gz AAIOCHMRHDJCEK-ZDUSSCGKSA-N 1 1 350.401 3.461 20 30 FGEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736557755 598679633 /nfs/dbraw/zinc/67/96/33/598679633.db2.gz AAIOCHMRHDJCEK-ZDUSSCGKSA-N 1 1 350.401 3.461 20 30 FGEDMO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000736196557 599309433 /nfs/dbraw/zinc/30/94/33/599309433.db2.gz JPMXAZKGIYEZFP-INIZCTEOSA-N 1 1 373.464 3.012 20 30 FGEDMO C=CCCC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000735413413 599476145 /nfs/dbraw/zinc/47/61/45/599476145.db2.gz UNRVBOPGVGDSBO-UHFFFAOYSA-N 1 1 374.514 3.034 20 30 FGEDMO C=CCOc1ccccc1CNc1c(-c2nn[nH]n2)c[nH+]c2c(C)cccc12 ZINC000819759275 599549576 /nfs/dbraw/zinc/54/95/76/599549576.db2.gz RIWCWFNQDHRHCP-UHFFFAOYSA-N 1 1 372.432 3.322 20 30 FGEDMO N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C(=O)[O-])cc1 ZINC000739108580 600597251 /nfs/dbraw/zinc/59/72/51/600597251.db2.gz VNEWTVZLYXHNAV-QFBILLFUSA-N 1 1 369.490 3.247 20 30 FGEDMO N#Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C(=O)[O-])cc1 ZINC000739108580 600597252 /nfs/dbraw/zinc/59/72/52/600597252.db2.gz VNEWTVZLYXHNAV-QFBILLFUSA-N 1 1 369.490 3.247 20 30 FGEDMO C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722681 601321942 /nfs/dbraw/zinc/32/19/42/601321942.db2.gz HOGUENOZTQDXRD-CTNGQTDRSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722681 601321943 /nfs/dbraw/zinc/32/19/43/601321943.db2.gz HOGUENOZTQDXRD-CTNGQTDRSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830722681 601321944 /nfs/dbraw/zinc/32/19/44/601321944.db2.gz HOGUENOZTQDXRD-CTNGQTDRSA-N 1 1 363.461 3.138 20 30 FGEDMO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194906 607509106 /nfs/dbraw/zinc/50/91/06/607509106.db2.gz ZLWYKKPQRFQEEA-OALUTQOASA-N 1 1 374.448 3.147 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1-c1nn[nH]n1 ZINC000826194906 607509107 /nfs/dbraw/zinc/50/91/07/607509107.db2.gz ZLWYKKPQRFQEEA-OALUTQOASA-N 1 1 374.448 3.147 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)s2)cc1 ZINC000822479030 606339888 /nfs/dbraw/zinc/33/98/88/606339888.db2.gz XSXKUJRIEFUVQH-VURMDHGXSA-N 1 1 362.418 3.318 20 30 FGEDMO C#CCCOc1ccc(C[N@H+](CC=C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000823845088 608631318 /nfs/dbraw/zinc/63/13/18/608631318.db2.gz NTHPVOYTKFHYHC-UHFFFAOYSA-N 1 1 373.460 3.457 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(OCC)c1O ZINC000823915029 608632291 /nfs/dbraw/zinc/63/22/91/608632291.db2.gz RPFLIUXNVBKDIF-UHFFFAOYSA-N 1 1 365.437 3.159 20 30 FGEDMO CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000825435453 608648497 /nfs/dbraw/zinc/64/84/97/608648497.db2.gz YRGMDADFDQBZMS-ZDUSSCGKSA-N 1 1 350.401 3.461 20 30 FGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000823873398 609370005 /nfs/dbraw/zinc/37/00/05/609370005.db2.gz LPEAIGMMWQOLBC-LBPRGKRZSA-N 1 1 374.514 3.032 20 30 FGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000823873398 609370007 /nfs/dbraw/zinc/37/00/07/609370007.db2.gz LPEAIGMMWQOLBC-LBPRGKRZSA-N 1 1 374.514 3.032 20 30 FGEDMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1cccnc1Cl ZINC000112970587 700566512 /nfs/dbraw/zinc/56/65/12/700566512.db2.gz DRTBBGZATGHITN-NSHDSACASA-N 1 1 356.854 3.027 20 30 FGEDMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccc(Cl)cn1 ZINC000120239770 700651050 /nfs/dbraw/zinc/65/10/50/700651050.db2.gz WREAQKMAJAFJJU-NSHDSACASA-N 1 1 356.854 3.027 20 30 FGEDMO C#CCCCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000156628808 705125612 /nfs/dbraw/zinc/12/56/12/705125612.db2.gz ATXFZMJIBLGXQT-SFHVURJKSA-N 1 1 352.400 3.361 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000164034535 705323977 /nfs/dbraw/zinc/32/39/77/705323977.db2.gz QISBUGWAVSJDJQ-FQEVSTJZSA-N 1 1 355.869 3.063 20 30 FGEDMO C=CC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000177716287 705636440 /nfs/dbraw/zinc/63/64/40/705636440.db2.gz SMLTVVQAKBCYJB-INIZCTEOSA-N 1 1 361.429 3.313 20 30 FGEDMO C=CC[N@H+](CCCc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000177716287 705636442 /nfs/dbraw/zinc/63/64/42/705636442.db2.gz SMLTVVQAKBCYJB-INIZCTEOSA-N 1 1 361.429 3.313 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000189872312 712802921 /nfs/dbraw/zinc/80/29/21/712802921.db2.gz MQQGDFBEDCFAIM-GOSISDBHSA-N 1 1 359.495 3.153 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000189872312 712802922 /nfs/dbraw/zinc/80/29/22/712802922.db2.gz MQQGDFBEDCFAIM-GOSISDBHSA-N 1 1 359.495 3.153 20 30 FGEDMO COCCN1CCC[C@H]1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303988909 713791023 /nfs/dbraw/zinc/79/10/23/713791023.db2.gz WYJXEYSWHRKFOI-OCCSQVGLSA-N 1 1 373.328 3.070 20 30 FGEDMO CN1CC[C@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305685414 713793266 /nfs/dbraw/zinc/79/32/66/713793266.db2.gz OLBBGHRXMVNFSC-PBHICJAKSA-N 1 1 352.885 3.273 20 30 FGEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCc4cnn(C)c4C3)sc2C1 ZINC000328819095 713825937 /nfs/dbraw/zinc/82/59/37/713825937.db2.gz OJQPYYHCSISBJS-GFCCVEGCSA-N 1 1 359.499 3.036 20 30 FGEDMO CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3CCc4cnn(C)c4C3)sc2C1 ZINC000328819095 713825941 /nfs/dbraw/zinc/82/59/41/713825941.db2.gz OJQPYYHCSISBJS-GFCCVEGCSA-N 1 1 359.499 3.036 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000373801191 713871977 /nfs/dbraw/zinc/87/19/77/713871977.db2.gz PVJPXVSEJGLFAO-UHFFFAOYSA-N 1 1 365.271 3.092 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000373801191 713871982 /nfs/dbraw/zinc/87/19/82/713871982.db2.gz PVJPXVSEJGLFAO-UHFFFAOYSA-N 1 1 365.271 3.092 20 30 FGEDMO C=CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)CC1 ZINC000374180410 713903647 /nfs/dbraw/zinc/90/36/47/713903647.db2.gz FJASLTLONOJXNQ-KBXCAEBGSA-N 1 1 362.543 3.270 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000521814266 714149666 /nfs/dbraw/zinc/14/96/66/714149666.db2.gz RVWJWXMZAQOUTI-UHFFFAOYSA-N 1 1 353.853 3.492 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000521814266 714149669 /nfs/dbraw/zinc/14/96/69/714149669.db2.gz RVWJWXMZAQOUTI-UHFFFAOYSA-N 1 1 353.853 3.492 20 30 FGEDMO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000524633165 714293039 /nfs/dbraw/zinc/29/30/39/714293039.db2.gz GAADYOCXFPQQBG-QAPCUYQASA-N 1 1 362.905 3.496 20 30 FGEDMO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000524633165 714293040 /nfs/dbraw/zinc/29/30/40/714293040.db2.gz GAADYOCXFPQQBG-QAPCUYQASA-N 1 1 362.905 3.496 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000524757849 714300399 /nfs/dbraw/zinc/30/03/99/714300399.db2.gz MAGADBMLSOEAFM-OWCLPIDISA-N 1 1 361.511 3.156 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000524757849 714300402 /nfs/dbraw/zinc/30/04/02/714300402.db2.gz MAGADBMLSOEAFM-OWCLPIDISA-N 1 1 361.511 3.156 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000525804916 714379175 /nfs/dbraw/zinc/37/91/75/714379175.db2.gz WNKVWOWZXKWVLR-CYBMUJFWSA-N 1 1 356.388 3.342 20 30 FGEDMO CCCC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000617194787 714635950 /nfs/dbraw/zinc/63/59/50/714635950.db2.gz SBUAAENMHVATLU-UHFFFAOYSA-N 1 1 364.287 3.201 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCc2ccc(F)cc2Cl)[C@@H](C#N)C1 ZINC000779412965 724412048 /nfs/dbraw/zinc/41/20/48/724412048.db2.gz PIIVBULJZFJVBB-BBRMVZONSA-N 1 1 367.852 3.370 20 30 FGEDMO C=C(C)CS(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625535577 715747126 /nfs/dbraw/zinc/74/71/26/715747126.db2.gz SHJYPURRCOCLMC-AWEZNQCLSA-N 1 1 351.299 3.092 20 30 FGEDMO C=CCOc1c(Cl)cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000628292549 716135528 /nfs/dbraw/zinc/13/55/28/716135528.db2.gz ITIOWQXQRUWSEN-IBGZPJMESA-N 1 1 350.890 3.441 20 30 FGEDMO C=CCSc1ccccc1NC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803495852 724452806 /nfs/dbraw/zinc/45/28/06/724452806.db2.gz UTKYJJIBUYUIMK-QGZVFWFLSA-N 1 1 350.484 3.033 20 30 FGEDMO C#CCCCS(=O)(=O)N(CCC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000804980039 724570506 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C#CCC[NH+]1CCN(C(=O)/C=C(/C)c2ccccc2C(F)(F)F)CC1 ZINC000742059173 722551759 /nfs/dbraw/zinc/55/17/59/722551759.db2.gz GSXRXMXJYJEUNM-PFONDFGASA-N 1 1 350.384 3.276 20 30 FGEDMO C#CC[N@@H+](CC#CC)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000743852208 722571961 /nfs/dbraw/zinc/57/19/61/722571961.db2.gz DSZSGLZNKFCNNJ-UHFFFAOYSA-N 1 1 353.491 3.176 20 30 FGEDMO CCc1nc(Cl)c(C)c(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000748268091 722682436 /nfs/dbraw/zinc/68/24/36/722682436.db2.gz UZAYNHUGUZPNOB-UHFFFAOYSA-N 1 1 355.873 3.195 20 30 FGEDMO COc1ccc([C@@H]2[C@H](COC(=O)c3cc(C#N)cs3)CC[N@H+]2C)cc1 ZINC000752184592 722847936 /nfs/dbraw/zinc/84/79/36/722847936.db2.gz KZZPKUQQOSWCIJ-MAUKXSAKSA-N 1 1 356.447 3.478 20 30 FGEDMO CN(CC(F)F)C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000752302086 722853161 /nfs/dbraw/zinc/85/31/61/722853161.db2.gz XGOAKOUXGVNRTL-UHFFFAOYSA-N 1 1 359.367 3.321 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1ccc(C#N)cc1OC(F)F ZINC000753118221 722886163 /nfs/dbraw/zinc/88/61/63/722886163.db2.gz 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FGEDMO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc(Cl)cc1C#N ZINC000772168621 723752820 /nfs/dbraw/zinc/75/28/20/723752820.db2.gz YZKARULROFVXCW-QGZVFWFLSA-N 1 1 350.846 3.048 20 30 FGEDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000773704513 723815305 /nfs/dbraw/zinc/81/53/05/723815305.db2.gz XJSYOYBGZPTJLW-CABCVRRESA-N 1 1 354.479 3.297 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@H](OCCOC)C1 ZINC000800850143 724237473 /nfs/dbraw/zinc/23/74/73/724237473.db2.gz LVFXKZUHDFAVCM-INIZCTEOSA-N 1 1 361.511 3.399 20 30 FGEDMO Brc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c2ncccc12 ZINC000777886912 724267925 /nfs/dbraw/zinc/26/79/25/724267925.db2.gz ASZFCJLFKQRHMQ-GASCZTMLSA-N 1 1 372.270 3.191 20 30 FGEDMO C[C@@H](C#N)OCCN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000801911718 724345008 /nfs/dbraw/zinc/34/50/08/724345008.db2.gz AGYUIRGGRPLECQ-HNNXBMFYSA-N 1 1 355.404 3.142 20 30 FGEDMO C[C@@H](C#N)OCC[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000801911718 724345010 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C=CCC[N@@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000786103027 724960374 /nfs/dbraw/zinc/96/03/74/724960374.db2.gz ZSXVPSKHFDHBNI-MRXNPFEDSA-N 1 1 356.253 3.226 20 30 FGEDMO C=CCC[N@H+](C)CN1C(=O)N[C@](C)(c2ccc(Cl)c(Cl)c2)C1=O ZINC000786103027 724960375 /nfs/dbraw/zinc/96/03/75/724960375.db2.gz ZSXVPSKHFDHBNI-MRXNPFEDSA-N 1 1 356.253 3.226 20 30 FGEDMO CON=CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000809757712 725265742 /nfs/dbraw/zinc/26/57/42/725265742.db2.gz RMDAZWPLBKVBNY-GOEBONIOSA-N 1 1 355.841 3.141 20 30 FGEDMO CON=CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000809757712 725265744 /nfs/dbraw/zinc/26/57/44/725265744.db2.gz RMDAZWPLBKVBNY-GOEBONIOSA-N 1 1 355.841 3.141 20 30 FGEDMO CN(C)c1nc(C=[NH+]NC[C@@H]2CCSC2)c(Cl)n1-c1ccccc1 ZINC000811658050 725375886 /nfs/dbraw/zinc/37/58/86/725375886.db2.gz BYAWEHZIGCTGBR-ZDUSSCGKSA-N 1 1 363.918 3.268 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)CCc1cc(Cl)ccc1Br ZINC000818612242 727316807 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COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000052580812 494042821 /nfs/dbraw/zinc/04/28/21/494042821.db2.gz ZSNSLWGEFRDOHY-INIZCTEOSA-N 1 1 351.450 3.218 20 30 FGEDMO CCC[N@@H+](CC(=O)NCCc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC000052826003 494066141 /nfs/dbraw/zinc/06/61/41/494066141.db2.gz DUKXFQJNCCDTTG-UHFFFAOYSA-N 1 1 371.431 3.407 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000063648655 494074670 /nfs/dbraw/zinc/07/46/70/494074670.db2.gz DFNUPTJEBYHYDZ-FQEVSTJZSA-N 1 1 363.461 3.206 20 30 FGEDMO CCOc1cccc(CNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000063750515 494083155 /nfs/dbraw/zinc/08/31/55/494083155.db2.gz SALKCXFFAZXYFF-UHFFFAOYSA-N 1 1 365.477 3.484 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000077536889 494107890 /nfs/dbraw/zinc/10/78/90/494107890.db2.gz KCITWJXUSSAPBN-UHFFFAOYSA-N 1 1 372.513 3.379 20 30 FGEDMO C=CCOc1ccc(Br)cc1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000571297339 505701772 /nfs/dbraw/zinc/70/17/72/505701772.db2.gz JBKUZSLPZCFVIC-LBPRGKRZSA-N 1 1 353.260 3.294 20 30 FGEDMO C=CCOc1ccc(Br)cc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000571297339 505701775 /nfs/dbraw/zinc/70/17/75/505701775.db2.gz JBKUZSLPZCFVIC-LBPRGKRZSA-N 1 1 353.260 3.294 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000072632395 494222142 /nfs/dbraw/zinc/22/21/42/494222142.db2.gz GHISPKZKVOXBEH-NRFANRHFSA-N 1 1 363.461 3.259 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000072760320 494245584 /nfs/dbraw/zinc/24/55/84/494245584.db2.gz CGDZVOJSNVGTAR-IBGZPJMESA-N 1 1 363.461 3.426 20 30 FGEDMO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](CCO)c1ccccc1 ZINC000072772645 494248546 /nfs/dbraw/zinc/24/85/46/494248546.db2.gz WRTTZXKKJHGKGA-SFHVURJKSA-N 1 1 357.841 3.206 20 30 FGEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](CCO)c1ccccc1 ZINC000072772645 494248551 /nfs/dbraw/zinc/24/85/51/494248551.db2.gz WRTTZXKKJHGKGA-SFHVURJKSA-N 1 1 357.841 3.206 20 30 FGEDMO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000577327880 505706062 /nfs/dbraw/zinc/70/60/62/505706062.db2.gz KRCZKAAZTVNTQE-SFHVURJKSA-N 1 1 352.413 3.483 20 30 FGEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)N(CCC#N)CCC#N)o1 ZINC000072896053 494277050 /nfs/dbraw/zinc/27/70/50/494277050.db2.gz SVYPLUCXAXVYRK-WMZOPIPTSA-N 1 1 356.470 3.271 20 30 FGEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)N(CCC#N)CCC#N)o1 ZINC000072896053 494277056 /nfs/dbraw/zinc/27/70/56/494277056.db2.gz SVYPLUCXAXVYRK-WMZOPIPTSA-N 1 1 356.470 3.271 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000577369407 505714606 /nfs/dbraw/zinc/71/46/06/505714606.db2.gz CAFGFPYSEYRAJF-PZJWPPBQSA-N 1 1 369.509 3.441 20 30 FGEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000015509464 494356832 /nfs/dbraw/zinc/35/68/32/494356832.db2.gz HFQHWPNRXWGXBE-KBPBESRZSA-N 1 1 353.422 3.253 20 30 FGEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCC(CO)CC1 ZINC000089924281 494403475 /nfs/dbraw/zinc/40/34/75/494403475.db2.gz JEKUDUJJGGNHLO-UHFFFAOYSA-N 1 1 363.889 3.070 20 30 FGEDMO C[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1 ZINC000073679529 494412873 /nfs/dbraw/zinc/41/28/73/494412873.db2.gz YHYXFPZRIJCAGP-HNNXBMFYSA-N 1 1 368.506 3.208 20 30 FGEDMO C[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000073679529 494412878 /nfs/dbraw/zinc/41/28/78/494412878.db2.gz YHYXFPZRIJCAGP-HNNXBMFYSA-N 1 1 368.506 3.208 20 30 FGEDMO C=CC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)Cc1ccccc1 ZINC000045796755 494462851 /nfs/dbraw/zinc/46/28/51/494462851.db2.gz BNCWWVVVZHTSRA-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO C=CC[N@H+](CC(=O)N(C)Cc1cccc(OC)c1OC)Cc1ccccc1 ZINC000045796755 494462855 /nfs/dbraw/zinc/46/28/55/494462855.db2.gz BNCWWVVVZHTSRA-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079502494 494467253 /nfs/dbraw/zinc/46/72/53/494467253.db2.gz HJFDOOOXDCARKA-KAGYGMCKSA-N 1 1 371.525 3.153 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079502494 494467256 /nfs/dbraw/zinc/46/72/56/494467256.db2.gz HJFDOOOXDCARKA-KAGYGMCKSA-N 1 1 371.525 3.153 20 30 FGEDMO Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000067068796 494468212 /nfs/dbraw/zinc/46/82/12/494468212.db2.gz ZAZCDPCGVDVSJL-UHFFFAOYSA-N 1 1 368.481 3.442 20 30 FGEDMO C=CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)s1 ZINC000090511423 494475739 /nfs/dbraw/zinc/47/57/39/494475739.db2.gz OHBAFKORENPFCO-UHFFFAOYSA-N 1 1 353.831 3.160 20 30 FGEDMO C=CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Cl)s1 ZINC000090511423 494475741 /nfs/dbraw/zinc/47/57/41/494475741.db2.gz OHBAFKORENPFCO-UHFFFAOYSA-N 1 1 353.831 3.160 20 30 FGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000056312448 494484705 /nfs/dbraw/zinc/48/47/05/494484705.db2.gz GLIDOJMWXAWOOA-QGZVFWFLSA-N 1 1 360.385 3.162 20 30 FGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000056312448 494484708 /nfs/dbraw/zinc/48/47/08/494484708.db2.gz GLIDOJMWXAWOOA-QGZVFWFLSA-N 1 1 360.385 3.162 20 30 FGEDMO N#Cc1ccc(N2CCC[N@H+](Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000046086140 494493175 /nfs/dbraw/zinc/49/31/75/494493175.db2.gz GXVSFCGOESOUKB-UHFFFAOYSA-N 1 1 359.433 3.321 20 30 FGEDMO N#Cc1ccc(N2CCC[N@@H+](Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000046086140 494493178 /nfs/dbraw/zinc/49/31/78/494493178.db2.gz GXVSFCGOESOUKB-UHFFFAOYSA-N 1 1 359.433 3.321 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074318786 494517566 /nfs/dbraw/zinc/51/75/66/494517566.db2.gz YBMCQGNGHKHZFB-WIYYLYMNSA-N 1 1 369.509 3.152 20 30 FGEDMO C=CCc1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc(OC)c1OC ZINC000074322533 494519038 /nfs/dbraw/zinc/51/90/38/494519038.db2.gz NQCGVIWPJOVIEB-KRWDZBQOSA-N 1 1 372.509 3.236 20 30 FGEDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000046529868 494535940 /nfs/dbraw/zinc/53/59/40/494535940.db2.gz ZYMODLCIAUAZRY-AWEZNQCLSA-N 1 1 353.422 3.034 20 30 FGEDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000046529868 494535944 /nfs/dbraw/zinc/53/59/44/494535944.db2.gz ZYMODLCIAUAZRY-AWEZNQCLSA-N 1 1 353.422 3.034 20 30 FGEDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000079955600 494557569 /nfs/dbraw/zinc/55/75/69/494557569.db2.gz IUGJMFYDEDYWNH-CQSZACIVSA-N 1 1 357.404 3.488 20 30 FGEDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000079955600 494557575 /nfs/dbraw/zinc/55/75/75/494557575.db2.gz IUGJMFYDEDYWNH-CQSZACIVSA-N 1 1 357.404 3.488 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000023753028 494580184 /nfs/dbraw/zinc/58/01/84/494580184.db2.gz PQDYYKCBDOVOBJ-UHFFFAOYSA-N 1 1 359.473 3.395 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000023753028 494580190 /nfs/dbraw/zinc/58/01/90/494580190.db2.gz PQDYYKCBDOVOBJ-UHFFFAOYSA-N 1 1 359.473 3.395 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000080063932 494581749 /nfs/dbraw/zinc/58/17/49/494581749.db2.gz GYMXVSMZEDWDGP-DENIHFKCSA-N 1 1 361.489 3.390 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)NCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000080070214 494585332 /nfs/dbraw/zinc/58/53/32/494585332.db2.gz NGDBIWFRIBFMKX-UWJYYQICSA-N 1 1 362.477 3.411 20 30 FGEDMO C[C@@H]1C[N@H+](CC2CCN(c3nc4c(cc3C#N)CCCC4)CC2)C[C@H](C)O1 ZINC000091478467 494606750 /nfs/dbraw/zinc/60/67/50/494606750.db2.gz DBHYGOYBUWTXGT-CALCHBBNSA-N 1 1 368.525 3.158 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H](c2ccsc2)O1 ZINC000121130637 494611009 /nfs/dbraw/zinc/61/10/09/494611009.db2.gz BKWBBESUPASZMS-KBXCAEBGSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H](c2ccsc2)O1 ZINC000121130637 494611014 /nfs/dbraw/zinc/61/10/14/494611014.db2.gz BKWBBESUPASZMS-KBXCAEBGSA-N 1 1 355.463 3.410 20 30 FGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000121140957 494613868 /nfs/dbraw/zinc/61/38/68/494613868.db2.gz GPLVSKUTRVXHIZ-SFHVURJKSA-N 1 1 363.461 3.209 20 30 FGEDMO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000121192833 494640072 /nfs/dbraw/zinc/64/00/72/494640072.db2.gz RIVQSOMOCXEPHV-OAHLLOKOSA-N 1 1 374.485 3.482 20 30 FGEDMO CC[N@@H+](CCc1nccs1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000121192833 494640079 /nfs/dbraw/zinc/64/00/79/494640079.db2.gz RIVQSOMOCXEPHV-OAHLLOKOSA-N 1 1 374.485 3.482 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)COc2ccccc2C#N)cc1 ZINC000080255590 494653992 /nfs/dbraw/zinc/65/39/92/494653992.db2.gz OAXBUJYIYOFCPO-OAHLLOKOSA-N 1 1 360.417 3.309 20 30 FGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000574264898 505733945 /nfs/dbraw/zinc/73/39/45/505733945.db2.gz QXMDRKCKVWLFQX-RTWAWAEBSA-N 1 1 369.896 3.126 20 30 FGEDMO COc1cc(C)c(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000024799125 494666374 /nfs/dbraw/zinc/66/63/74/494666374.db2.gz ZKAJDRGXCFKVKI-MRXNPFEDSA-N 1 1 373.497 3.175 20 30 FGEDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1OC ZINC000024799125 494666379 /nfs/dbraw/zinc/66/63/79/494666379.db2.gz ZKAJDRGXCFKVKI-MRXNPFEDSA-N 1 1 373.497 3.175 20 30 FGEDMO CN1CC[NH+](Cc2ccc(CNc3snc(Cl)c3C#N)cc2)CC1 ZINC000092609180 494685883 /nfs/dbraw/zinc/68/58/83/494685883.db2.gz CPKDIDUUTOWMDP-UHFFFAOYSA-N 1 1 361.902 3.028 20 30 FGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000092706413 494719208 /nfs/dbraw/zinc/71/92/08/494719208.db2.gz OMVLCTMXOGCPKP-IBGZPJMESA-N 1 1 356.514 3.021 20 30 FGEDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC000574282146 505737871 /nfs/dbraw/zinc/73/78/71/505737871.db2.gz BZILSHZFUBVQLN-LJQANCHMSA-N 1 1 362.477 3.294 20 30 FGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000047740780 494769048 /nfs/dbraw/zinc/76/90/48/494769048.db2.gz DYKARJKWTWNKRY-UHFFFAOYSA-N 1 1 371.506 3.221 20 30 FGEDMO COc1ccc(CN(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000026326642 494818453 /nfs/dbraw/zinc/81/84/53/494818453.db2.gz HLFVMPWHCZHQIU-UHFFFAOYSA-N 1 1 363.461 3.190 20 30 FGEDMO COc1ccc(CN(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000026326642 494818462 /nfs/dbraw/zinc/81/84/62/494818462.db2.gz HLFVMPWHCZHQIU-UHFFFAOYSA-N 1 1 363.461 3.190 20 30 FGEDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000026327718 494818695 /nfs/dbraw/zinc/81/86/95/494818695.db2.gz YJFBXKYDYBSTEW-AWEZNQCLSA-N 1 1 353.422 3.034 20 30 FGEDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000026327718 494818701 /nfs/dbraw/zinc/81/87/01/494818701.db2.gz YJFBXKYDYBSTEW-AWEZNQCLSA-N 1 1 353.422 3.034 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccc(C)cc2)c(C#N)c1C ZINC000027687790 494881900 /nfs/dbraw/zinc/88/19/00/494881900.db2.gz PVDFOGPSIFONAX-OAHLLOKOSA-N 1 1 355.438 3.414 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(C)cc2)c(C#N)c1C ZINC000027687790 494881904 /nfs/dbraw/zinc/88/19/04/494881904.db2.gz PVDFOGPSIFONAX-OAHLLOKOSA-N 1 1 355.438 3.414 20 30 FGEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OC ZINC000093646887 494908951 /nfs/dbraw/zinc/90/89/51/494908951.db2.gz LCNXJRBFHHPSKP-LPHOPBHVSA-N 1 1 367.511 3.048 20 30 FGEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1OC ZINC000093646887 494908952 /nfs/dbraw/zinc/90/89/52/494908952.db2.gz LCNXJRBFHHPSKP-LPHOPBHVSA-N 1 1 367.511 3.048 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000109796505 494919583 /nfs/dbraw/zinc/91/95/83/494919583.db2.gz WXBRKAYXCFAKHY-UHFFFAOYSA-N 1 1 356.495 3.437 20 30 FGEDMO CC(C)(C)c1n[nH]cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000122828361 495037021 /nfs/dbraw/zinc/03/70/21/495037021.db2.gz KLOVHDQLEIQNCK-UHFFFAOYSA-N 1 1 351.498 3.287 20 30 FGEDMO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122828361 495037022 /nfs/dbraw/zinc/03/70/22/495037022.db2.gz KLOVHDQLEIQNCK-UHFFFAOYSA-N 1 1 351.498 3.287 20 30 FGEDMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122828361 495037026 /nfs/dbraw/zinc/03/70/26/495037026.db2.gz KLOVHDQLEIQNCK-UHFFFAOYSA-N 1 1 351.498 3.287 20 30 FGEDMO CCCCC[N@@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000118825642 495043178 /nfs/dbraw/zinc/04/31/78/495043178.db2.gz CNHRTQAWLQESRB-UHFFFAOYSA-N 1 1 363.527 3.312 20 30 FGEDMO CN1CCC[C@H](C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000118842644 495047031 /nfs/dbraw/zinc/04/70/31/495047031.db2.gz VTTXQWBILJRDLZ-HNNXBMFYSA-N 1 1 374.554 3.101 20 30 FGEDMO CN1CCC[C@H](C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000118842644 495047034 /nfs/dbraw/zinc/04/70/34/495047034.db2.gz VTTXQWBILJRDLZ-HNNXBMFYSA-N 1 1 374.554 3.101 20 30 FGEDMO C[N@H+](Cc1ccccc1)CC(C)(C)NCC(=O)Nc1sccc1C#N ZINC000119007408 495068987 /nfs/dbraw/zinc/06/89/87/495068987.db2.gz XXNHIMWCYCFKPE-UHFFFAOYSA-N 1 1 356.495 3.058 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCC(=O)Nc1sccc1C#N ZINC000119007408 495068991 /nfs/dbraw/zinc/06/89/91/495068991.db2.gz XXNHIMWCYCFKPE-UHFFFAOYSA-N 1 1 356.495 3.058 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](CO)C(C)(C)C)ccc1Cl ZINC000134382283 495141557 /nfs/dbraw/zinc/14/15/57/495141557.db2.gz LVELRIPERHZTNJ-KRWDZBQOSA-N 1 1 365.905 3.234 20 30 FGEDMO CC[C@@H](O)C[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1 ZINC000134495387 495158651 /nfs/dbraw/zinc/15/86/51/495158651.db2.gz PIIAXIRPRGKYQY-QGZVFWFLSA-N 1 1 371.506 3.448 20 30 FGEDMO CC[C@@H](O)C[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)Cc1ccccc1 ZINC000134495387 495158653 /nfs/dbraw/zinc/15/86/53/495158653.db2.gz PIIAXIRPRGKYQY-QGZVFWFLSA-N 1 1 371.506 3.448 20 30 FGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000119441122 495167959 /nfs/dbraw/zinc/16/79/59/495167959.db2.gz AKDCMPIMPYOFTK-HNNXBMFYSA-N 1 1 360.479 3.092 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@@H](c3ccncc3)C1)CCC2 ZINC000580462002 505765215 /nfs/dbraw/zinc/76/52/15/505765215.db2.gz NEJJMTFBODAPJK-OAHLLOKOSA-N 1 1 366.490 3.322 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@H](c3ccncc3)C1)CCC2 ZINC000580462001 505765418 /nfs/dbraw/zinc/76/54/18/505765418.db2.gz NEJJMTFBODAPJK-HNNXBMFYSA-N 1 1 366.490 3.322 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2CCO)c1C#N ZINC000112583509 495208946 /nfs/dbraw/zinc/20/89/46/495208946.db2.gz BDNTYBYYSUZWBS-QGZVFWFLSA-N 1 1 372.513 3.267 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC[C@@H]2CCO)c1C#N ZINC000112583509 495208951 /nfs/dbraw/zinc/20/89/51/495208951.db2.gz BDNTYBYYSUZWBS-QGZVFWFLSA-N 1 1 372.513 3.267 20 30 FGEDMO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1C ZINC000124009951 495220924 /nfs/dbraw/zinc/22/09/24/495220924.db2.gz FLALOJGWBPZXEB-CABCVRRESA-N 1 1 374.554 3.242 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)C[C@@H](C)C#N ZINC000103469632 495238249 /nfs/dbraw/zinc/23/82/49/495238249.db2.gz FWCFPXVRHLODLY-HNNXBMFYSA-N 1 1 353.470 3.299 20 30 FGEDMO COC(=O)CC[N@H+](Cc1ccc(OC)c(C#N)c1)Cc1cccc(F)c1F ZINC000135113352 495251763 /nfs/dbraw/zinc/25/17/63/495251763.db2.gz NUESDOUODJFGHL-UHFFFAOYSA-N 1 1 374.387 3.410 20 30 FGEDMO COC(=O)CC[N@@H+](Cc1ccc(OC)c(C#N)c1)Cc1cccc(F)c1F ZINC000135113352 495251765 /nfs/dbraw/zinc/25/17/65/495251765.db2.gz NUESDOUODJFGHL-UHFFFAOYSA-N 1 1 374.387 3.410 20 30 FGEDMO COC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000112987227 495263771 /nfs/dbraw/zinc/26/37/71/495263771.db2.gz QNQSWXDIDBGXGZ-OALUTQOASA-N 1 1 357.498 3.297 20 30 FGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](O)COCc1ccccc1 ZINC000135222730 495264538 /nfs/dbraw/zinc/26/45/38/495264538.db2.gz ZKMGLQQTBRYCQR-FQEVSTJZSA-N 1 1 352.478 3.497 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000135262008 495269855 /nfs/dbraw/zinc/26/98/55/495269855.db2.gz QTMDMZIOPSNTNF-LJQANCHMSA-N 1 1 369.509 3.091 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000135262008 495269857 /nfs/dbraw/zinc/26/98/57/495269857.db2.gz QTMDMZIOPSNTNF-LJQANCHMSA-N 1 1 369.509 3.091 20 30 FGEDMO CSC[C@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000135420677 495290038 /nfs/dbraw/zinc/29/00/38/495290038.db2.gz GPPJJTPQBJFVKT-MRXNPFEDSA-N 1 1 370.440 3.001 20 30 FGEDMO N#Cc1cccc(OC2CC[NH+](CC[S@@](=O)c3ccccc3)CC2)c1 ZINC000104712780 495300212 /nfs/dbraw/zinc/30/02/12/495300212.db2.gz XPUQLMAQVAGJHR-VWLOTQADSA-N 1 1 354.475 3.209 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000120142505 495315358 /nfs/dbraw/zinc/31/53/58/495315358.db2.gz YLXLCNDHKHQEOI-PXNSSMCTSA-N 1 1 372.852 3.105 20 30 FGEDMO CC1CC[NH+](C[C@H]2CCCN(CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000120220263 495330659 /nfs/dbraw/zinc/33/06/59/495330659.db2.gz CVHCKPBRVSDDAW-FQEVSTJZSA-N 1 1 368.525 3.331 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000120239319 495334299 /nfs/dbraw/zinc/33/42/99/495334299.db2.gz ZSBRZOVUXVUEBG-KRWDZBQOSA-N 1 1 356.514 3.329 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000113940591 495338273 /nfs/dbraw/zinc/33/82/73/495338273.db2.gz YLMATEQYHGVDOP-HXUWFJFHSA-N 1 1 354.425 3.144 20 30 FGEDMO C[N@H+](CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@H]1CCSC1 ZINC000120434224 495376896 /nfs/dbraw/zinc/37/68/96/495376896.db2.gz QVUACOCUTNQNTA-AWEZNQCLSA-N 1 1 358.492 3.058 20 30 FGEDMO C[N@@H+](CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@H]1CCSC1 ZINC000120434224 495376898 /nfs/dbraw/zinc/37/68/98/495376898.db2.gz QVUACOCUTNQNTA-AWEZNQCLSA-N 1 1 358.492 3.058 20 30 FGEDMO COc1cc(F)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000114501049 495386632 /nfs/dbraw/zinc/38/66/32/495386632.db2.gz BWSLXIOOOQOTMI-QWHCGFSZSA-N 1 1 371.412 3.392 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000114689294 495410002 /nfs/dbraw/zinc/41/00/02/495410002.db2.gz HEOALAWHKSRMJK-SFHVURJKSA-N 1 1 363.461 3.209 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccn1 ZINC000125340209 495428744 /nfs/dbraw/zinc/42/87/44/495428744.db2.gz LCGYNSVXCMGCER-UHFFFAOYSA-N 1 1 354.479 3.354 20 30 FGEDMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000106211360 495433198 /nfs/dbraw/zinc/43/31/98/495433198.db2.gz AYVWBVMSRFJHTG-YJBOKZPZSA-N 1 1 351.454 3.073 20 30 FGEDMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000106211360 495433201 /nfs/dbraw/zinc/43/32/01/495433201.db2.gz AYVWBVMSRFJHTG-YJBOKZPZSA-N 1 1 351.454 3.073 20 30 FGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000130726409 495435868 /nfs/dbraw/zinc/43/58/68/495435868.db2.gz XUBVVWZAFPFWJX-PMACEKPBSA-N 1 1 357.498 3.176 20 30 FGEDMO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000115535032 495514620 /nfs/dbraw/zinc/51/46/20/495514620.db2.gz CWSFXSRXGHKAFZ-APWZRJJASA-N 1 1 360.417 3.105 20 30 FGEDMO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000115535032 495514622 /nfs/dbraw/zinc/51/46/22/495514622.db2.gz CWSFXSRXGHKAFZ-APWZRJJASA-N 1 1 360.417 3.105 20 30 FGEDMO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H](C)O ZINC000107043682 495520882 /nfs/dbraw/zinc/52/08/82/495520882.db2.gz ALZQLGVHMJFCQR-CQSZACIVSA-N 1 1 363.527 3.308 20 30 FGEDMO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000176263492 495569500 /nfs/dbraw/zinc/56/95/00/495569500.db2.gz CHMUKWXDWGYVHE-UWJYYQICSA-N 1 1 368.502 3.458 20 30 FGEDMO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000176263492 495569506 /nfs/dbraw/zinc/56/95/06/495569506.db2.gz CHMUKWXDWGYVHE-UWJYYQICSA-N 1 1 368.502 3.458 20 30 FGEDMO O=C(NCC#Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000148953276 495589133 /nfs/dbraw/zinc/58/91/33/495589133.db2.gz RSCNLCPIGVFFPV-IBGZPJMESA-N 1 1 367.518 3.311 20 30 FGEDMO C[C@H](C#N)CNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000182562427 495617813 /nfs/dbraw/zinc/61/78/13/495617813.db2.gz KNSAHVLUBSLZFP-QAPCUYQASA-N 1 1 368.506 3.306 20 30 FGEDMO C[C@H](C#N)CNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000182562427 495617814 /nfs/dbraw/zinc/61/78/14/495617814.db2.gz KNSAHVLUBSLZFP-QAPCUYQASA-N 1 1 368.506 3.306 20 30 FGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000150746538 495619861 /nfs/dbraw/zinc/61/98/61/495619861.db2.gz VDCDLPKHLMDRPA-LJQANCHMSA-N 1 1 359.514 3.371 20 30 FGEDMO C=CCC[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000185577640 495628891 /nfs/dbraw/zinc/62/88/91/495628891.db2.gz VWJJZJIYUXCXOR-HXUWFJFHSA-N 1 1 372.557 3.409 20 30 FGEDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000182632947 495643964 /nfs/dbraw/zinc/64/39/64/495643964.db2.gz CMMHPDINZLOTIS-AWEZNQCLSA-N 1 1 354.431 3.429 20 30 FGEDMO CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCCCC1 ZINC000182680410 495662251 /nfs/dbraw/zinc/66/22/51/495662251.db2.gz OGQNKOHNYCNRAT-SFHVURJKSA-N 1 1 374.554 3.112 20 30 FGEDMO C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662610 495668267 /nfs/dbraw/zinc/66/82/67/495668267.db2.gz HGBLXMSGIUVXKE-SOLBZPMBSA-N 1 1 354.498 3.128 20 30 FGEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000171034274 495697819 /nfs/dbraw/zinc/69/78/19/495697819.db2.gz PVDMICXOIBCPID-AWEZNQCLSA-N 1 1 355.404 3.086 20 30 FGEDMO Cc1[nH]nc(C(C)C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159328673 495709963 /nfs/dbraw/zinc/70/99/63/495709963.db2.gz FWTBYXXJFOWHCJ-UHFFFAOYSA-N 1 1 365.481 3.061 20 30 FGEDMO Cc1[nH]nc(C(C)C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159328673 495709970 /nfs/dbraw/zinc/70/99/70/495709970.db2.gz FWTBYXXJFOWHCJ-UHFFFAOYSA-N 1 1 365.481 3.061 20 30 FGEDMO Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159328673 495709975 /nfs/dbraw/zinc/70/99/75/495709975.db2.gz FWTBYXXJFOWHCJ-UHFFFAOYSA-N 1 1 365.481 3.061 20 30 FGEDMO Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000159328673 495709979 /nfs/dbraw/zinc/70/99/79/495709979.db2.gz FWTBYXXJFOWHCJ-UHFFFAOYSA-N 1 1 365.481 3.061 20 30 FGEDMO C[C@H]1CCN(CC(=O)Nc2sccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000173995047 495780000 /nfs/dbraw/zinc/78/00/00/495780000.db2.gz QBWAYCWSOJKLHF-INIZCTEOSA-N 1 1 368.506 3.155 20 30 FGEDMO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3C#N)cc2F)CC1 ZINC000171293788 495808329 /nfs/dbraw/zinc/80/83/29/495808329.db2.gz VQAXEHBYRQLILI-UHFFFAOYSA-N 1 1 352.413 3.092 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171318034 495819621 /nfs/dbraw/zinc/81/96/21/495819621.db2.gz POLUGHICYZCAGN-DLBZAZTESA-N 1 1 354.498 3.353 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)N(C)Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000159955504 495848869 /nfs/dbraw/zinc/84/88/69/495848869.db2.gz XZUSVWQYFYTKFT-UTKZUKDTSA-N 1 1 362.477 3.363 20 30 FGEDMO COC(=O)c1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)s1 ZINC000176977593 495866870 /nfs/dbraw/zinc/86/68/70/495866870.db2.gz HJBJSOALBZNBQM-UHFFFAOYSA-N 1 1 369.490 3.427 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CC1 ZINC000151586237 495886925 /nfs/dbraw/zinc/88/69/25/495886925.db2.gz HFYGYCCWWRQUHX-UHFFFAOYSA-N 1 1 362.433 3.233 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C[N@H+]1C1CC1 ZINC000177041819 495897205 /nfs/dbraw/zinc/89/72/05/495897205.db2.gz NROAGSKMERBVJX-HOCLYGCPSA-N 1 1 365.433 3.085 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C[N@H+]1C1CC1 ZINC000177041833 495897317 /nfs/dbraw/zinc/89/73/17/495897317.db2.gz NROAGSKMERBVJX-GDBMZVCRSA-N 1 1 365.433 3.085 20 30 FGEDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc(C#N)cs3)CC[N@@H+]2C2CC2)c1 ZINC000183262523 495906318 /nfs/dbraw/zinc/90/63/18/495906318.db2.gz FSOAFNWBROTGAQ-IEBWSBKVSA-N 1 1 367.474 3.336 20 30 FGEDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc(C#N)cs3)CC[N@H+]2C2CC2)c1 ZINC000183262523 495906323 /nfs/dbraw/zinc/90/63/23/495906323.db2.gz FSOAFNWBROTGAQ-IEBWSBKVSA-N 1 1 367.474 3.336 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(C)(C)CCC#N ZINC000160225304 495913003 /nfs/dbraw/zinc/91/30/03/495913003.db2.gz OAFMIPCMHRWOGJ-UHFFFAOYSA-N 1 1 372.513 3.114 20 30 FGEDMO Cn1cc(CN[C@H]2CC[N@@H+](CC3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180266074 495930395 /nfs/dbraw/zinc/93/03/95/495930395.db2.gz QIBPGBCUOSKUQS-NRFANRHFSA-N 1 1 363.509 3.313 20 30 FGEDMO Cn1cc(C[NH2+][C@H]2CCN(CC3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180266074 495930400 /nfs/dbraw/zinc/93/04/00/495930400.db2.gz QIBPGBCUOSKUQS-NRFANRHFSA-N 1 1 363.509 3.313 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 ZINC000151740707 495934183 /nfs/dbraw/zinc/93/41/83/495934183.db2.gz MJSQKZXLPMXITC-KRWDZBQOSA-N 1 1 357.498 3.344 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000151830957 495961394 /nfs/dbraw/zinc/96/13/94/495961394.db2.gz YEKKXRSDUXAKNR-LSDHHAIUSA-N 1 1 359.451 3.129 20 30 FGEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000174522111 495994388 /nfs/dbraw/zinc/99/43/88/495994388.db2.gz RJKBXZVWWBYBAC-QGZVFWFLSA-N 1 1 367.449 3.144 20 30 FGEDMO C=CCSCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000171852606 496063896 /nfs/dbraw/zinc/06/38/96/496063896.db2.gz KBPHNVQTLVBKSW-YQQQUEKLSA-N 1 1 359.539 3.400 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186601041 496067451 /nfs/dbraw/zinc/06/74/51/496067451.db2.gz AJRCZFCAUIJMCH-OAQYLSRUSA-N 1 1 358.401 3.240 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186601041 496067455 /nfs/dbraw/zinc/06/74/55/496067455.db2.gz AJRCZFCAUIJMCH-OAQYLSRUSA-N 1 1 358.401 3.240 20 30 FGEDMO N#Cc1ncc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1Cl ZINC000577936507 505822441 /nfs/dbraw/zinc/82/24/41/505822441.db2.gz MYELNRJURRIOJT-INIZCTEOSA-N 1 1 369.856 3.393 20 30 FGEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000155916830 496105826 /nfs/dbraw/zinc/10/58/26/496105826.db2.gz LRJIEAXKGVJICJ-HKUYNNGSSA-N 1 1 357.498 3.344 20 30 FGEDMO CC[N@@H+](CCCC(C)(C)C#N)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000174808444 496115306 /nfs/dbraw/zinc/11/53/06/496115306.db2.gz SQBFBVKRDMKQQP-UHFFFAOYSA-N 1 1 372.513 3.114 20 30 FGEDMO COc1cc(C[NH2+]C[C@H](C)C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000183829556 496129699 /nfs/dbraw/zinc/12/96/99/496129699.db2.gz KFUBUTBOIAWVPJ-CQSZACIVSA-N 1 1 355.394 3.432 20 30 FGEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000177741461 496179799 /nfs/dbraw/zinc/17/97/99/496179799.db2.gz PRDBPYIYFFPRLA-JKSUJKDBSA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177792321 496197907 /nfs/dbraw/zinc/19/79/07/496197907.db2.gz LRQIFVVOKQOHLC-QGZVFWFLSA-N 1 1 354.479 3.159 20 30 FGEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177792321 496197910 /nfs/dbraw/zinc/19/79/10/496197910.db2.gz LRQIFVVOKQOHLC-QGZVFWFLSA-N 1 1 354.479 3.159 20 30 FGEDMO Cc1cccc(N2CCC(NC(=O)Nc3ccc(F)cc3C#N)CC2)[nH+]1 ZINC000177900866 496244904 /nfs/dbraw/zinc/24/49/04/496244904.db2.gz BYKRZTDSLBZVFT-UHFFFAOYSA-N 1 1 353.401 3.191 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCCn2ccnc2)c1 ZINC000181101201 496270606 /nfs/dbraw/zinc/27/06/06/496270606.db2.gz BYKRMQZTZYBJNF-IBGZPJMESA-N 1 1 367.497 3.157 20 30 FGEDMO C=CCOc1cccc(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000152837767 496271523 /nfs/dbraw/zinc/27/15/23/496271523.db2.gz MCBHCWVEVYVVAN-SCTDSRPQSA-N 1 1 373.497 3.357 20 30 FGEDMO C=CCOc1cccc(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000152837767 496271529 /nfs/dbraw/zinc/27/15/29/496271529.db2.gz MCBHCWVEVYVVAN-SCTDSRPQSA-N 1 1 373.497 3.357 20 30 FGEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CCN(c2ccccn2)CC1 ZINC000156595485 496289331 /nfs/dbraw/zinc/28/93/31/496289331.db2.gz GJTKGVRKOJDFRC-NRFANRHFSA-N 1 1 364.493 3.225 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000580780619 505836842 /nfs/dbraw/zinc/83/68/42/505836842.db2.gz FOPJFMAUWJETNT-HTAPYJJXSA-N 1 1 363.461 3.106 20 30 FGEDMO C#CCOc1ccccc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000187164146 496320812 /nfs/dbraw/zinc/32/08/12/496320812.db2.gz LTGVHYQBLYFCSL-UHFFFAOYSA-N 1 1 369.490 3.314 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370857 496370588 /nfs/dbraw/zinc/37/05/88/496370588.db2.gz ZAYCKXIYAFPVMB-PXAZEXFGSA-N 1 1 360.820 3.102 20 30 FGEDMO C=CCCCCCN(C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000172685100 496386679 /nfs/dbraw/zinc/38/66/79/496386679.db2.gz UDYMADCCWVBNOL-LJQANCHMSA-N 1 1 372.513 3.346 20 30 FGEDMO C=CCCCCCN(C)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000172685100 496386685 /nfs/dbraw/zinc/38/66/85/496386685.db2.gz UDYMADCCWVBNOL-LJQANCHMSA-N 1 1 372.513 3.346 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000181458766 496405640 /nfs/dbraw/zinc/40/56/40/496405640.db2.gz BRRLFQCGPXBVIC-ICSRJNTNSA-N 1 1 357.498 3.033 20 30 FGEDMO CCC[N@@H+](CCc1cccs1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000184514373 496419901 /nfs/dbraw/zinc/41/99/01/496419901.db2.gz KUBAODMUCYNPOI-UHFFFAOYSA-N 1 1 362.520 3.348 20 30 FGEDMO CCC[N@H+](CCc1cccs1)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000184514373 496419894 /nfs/dbraw/zinc/41/98/94/496419894.db2.gz KUBAODMUCYNPOI-UHFFFAOYSA-N 1 1 362.520 3.348 20 30 FGEDMO C=C(C)CN(CC)C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000187448083 496444670 /nfs/dbraw/zinc/44/46/70/496444670.db2.gz CTRWWXPLTNEKOA-MRXNPFEDSA-N 1 1 357.498 3.410 20 30 FGEDMO C[C@H](C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)c1cccc(Cl)c1 ZINC000187461218 496451309 /nfs/dbraw/zinc/45/13/09/496451309.db2.gz BECQJFLUZYCNKG-CABCVRRESA-N 1 1 355.873 3.316 20 30 FGEDMO C[C@H](C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)c1cccc(Cl)c1 ZINC000187461218 496451312 /nfs/dbraw/zinc/45/13/12/496451312.db2.gz BECQJFLUZYCNKG-CABCVRRESA-N 1 1 355.873 3.316 20 30 FGEDMO C[C@H](c1nccs1)N1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000184647448 496478524 /nfs/dbraw/zinc/47/85/24/496478524.db2.gz FBPMMGBDYCVPNZ-MRXNPFEDSA-N 1 1 356.495 3.162 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000187673554 496530711 /nfs/dbraw/zinc/53/07/11/496530711.db2.gz GPPMXLHBHOCILC-GFCCVEGCSA-N 1 1 373.254 3.347 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000187673554 496530717 /nfs/dbraw/zinc/53/07/17/496530717.db2.gz GPPMXLHBHOCILC-GFCCVEGCSA-N 1 1 373.254 3.347 20 30 FGEDMO C=C(Br)C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000157743903 496543286 /nfs/dbraw/zinc/54/32/86/496543286.db2.gz PKESFLIOPUHYNP-UHFFFAOYSA-N 1 1 358.667 3.294 20 30 FGEDMO N#CCSc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000153734893 496562757 /nfs/dbraw/zinc/56/27/57/496562757.db2.gz UYDVEBJATZVCDC-QFBILLFUSA-N 1 1 355.507 3.391 20 30 FGEDMO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000181831501 496563340 /nfs/dbraw/zinc/56/33/40/496563340.db2.gz PQYDPUSFNZTBIB-IBGZPJMESA-N 1 1 365.433 3.169 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2cnc3c(C#N)cnn3c2)C1 ZINC000574772736 505852590 /nfs/dbraw/zinc/85/25/90/505852590.db2.gz CWSLCLOIIGPQIV-KRWDZBQOSA-N 1 1 374.492 3.123 20 30 FGEDMO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(OCC#N)cc1 ZINC000181947298 496608160 /nfs/dbraw/zinc/60/81/60/496608160.db2.gz MFKXLZVQYNHZOP-SFHVURJKSA-N 1 1 357.498 3.275 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000578074949 505855422 /nfs/dbraw/zinc/85/54/22/505855422.db2.gz KBSGXVNQUGONSH-DBAFAGGRSA-N 1 1 374.573 3.112 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+](C[C@@H]2CCOC2)C2CC2)sc2c1CCCC2 ZINC000164863806 496635958 /nfs/dbraw/zinc/63/59/58/496635958.db2.gz KECOTBSPXPQYFA-AWEZNQCLSA-N 1 1 373.522 3.328 20 30 FGEDMO Cc1noc(C)c1CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000165246235 496653457 /nfs/dbraw/zinc/65/34/57/496653457.db2.gz FLRPYSVZAMLRRB-UHFFFAOYSA-N 1 1 361.449 3.076 20 30 FGEDMO C=CCCCC[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000580873974 505857563 /nfs/dbraw/zinc/85/75/63/505857563.db2.gz FMWYADFSWGJHAJ-UHFFFAOYSA-N 1 1 373.522 3.288 20 30 FGEDMO CCc1[nH+]ccn1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000158332335 496679024 /nfs/dbraw/zinc/67/90/24/496679024.db2.gz DZTRDOWIINJNES-UHFFFAOYSA-N 1 1 361.449 3.423 20 30 FGEDMO C=C[C@](C)(CC)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000188165658 496706446 /nfs/dbraw/zinc/70/64/46/496706446.db2.gz QIJASCISQVNZBG-JOCHJYFZSA-N 1 1 374.525 3.395 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)N3CCCC(C)(C)[C@H]3C#N)CC2)cs1 ZINC000277402463 496760998 /nfs/dbraw/zinc/76/09/98/496760998.db2.gz BJWSCEVTBPUPAR-QGZVFWFLSA-N 1 1 360.527 3.204 20 30 FGEDMO C(=[NH+]/OCc1cccc2nsnc21)\c1ccc(N2CCOCC2)cc1 ZINC000268720892 496765806 /nfs/dbraw/zinc/76/58/06/496765806.db2.gz OPMCRBHPKLMGJN-XDHOZWIPSA-N 1 1 354.435 3.079 20 30 FGEDMO CC(C)[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H](O)COc1ccccc1 ZINC000277793675 496890095 /nfs/dbraw/zinc/89/00/95/496890095.db2.gz NLFVQNGMPAUVID-LJQANCHMSA-N 1 1 354.450 3.239 20 30 FGEDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](C)O1 ZINC000247598392 496894784 /nfs/dbraw/zinc/89/47/84/496894784.db2.gz OSAMCYKLNXPFEU-ZIAGYGMSSA-N 1 1 361.511 3.326 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191805519 496896502 /nfs/dbraw/zinc/89/65/02/496896502.db2.gz WPCLCPUUKUKFEO-CYBMUJFWSA-N 1 1 365.271 3.484 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191805519 496896509 /nfs/dbraw/zinc/89/65/09/496896509.db2.gz WPCLCPUUKUKFEO-CYBMUJFWSA-N 1 1 365.271 3.484 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CO[NH+]=C(N)C1CCCC1 ZINC000264432343 496899731 /nfs/dbraw/zinc/89/97/31/496899731.db2.gz CTTJJZDLXBUWFI-ZDUSSCGKSA-N 1 1 360.483 3.498 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000277852206 496910370 /nfs/dbraw/zinc/91/03/70/496910370.db2.gz AFTXLDDXHLQNGK-UHFFFAOYSA-N 1 1 354.385 3.476 20 30 FGEDMO CN1CCO[C@H]([C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000247815228 496919009 /nfs/dbraw/zinc/91/90/09/496919009.db2.gz VZEMTOGPZBXZKW-ROUUACIJSA-N 1 1 361.898 3.435 20 30 FGEDMO N#CCOc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000264584263 496936295 /nfs/dbraw/zinc/93/62/95/496936295.db2.gz DKMFDCGSLAEMIP-HXUWFJFHSA-N 1 1 352.434 3.476 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000191938435 496937074 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CCSCc1cccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000331298643 498296023 /nfs/dbraw/zinc/29/60/23/498296023.db2.gz PLFJKADPXUSOED-HNNXBMFYSA-N 1 1 365.543 3.262 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ccc(C#N)cc2Br)C1 ZINC000301895093 498316835 /nfs/dbraw/zinc/31/68/35/498316835.db2.gz XSBGISRJDHYFAJ-AWEZNQCLSA-N 1 1 352.276 3.089 20 30 FGEDMO COc1ccc([C@@H]2[C@@H](CNC(=O)NCCCCC#N)CCC[N@H+]2C)cc1 ZINC000360962717 498327872 /nfs/dbraw/zinc/32/78/72/498327872.db2.gz QFNUGRLUIQWICM-IEBWSBKVSA-N 1 1 358.486 3.071 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000293343539 498352798 /nfs/dbraw/zinc/35/27/98/498352798.db2.gz YVHJVRFRNVEDTQ-PXNSSMCTSA-N 1 1 373.497 3.077 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000293343539 498352807 /nfs/dbraw/zinc/35/28/07/498352807.db2.gz YVHJVRFRNVEDTQ-PXNSSMCTSA-N 1 1 373.497 3.077 20 30 FGEDMO N#CCSCCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000365210211 498353144 /nfs/dbraw/zinc/35/31/44/498353144.db2.gz ZEPOZRNQSJTCCU-VQIMIIECSA-N 1 1 369.494 3.132 20 30 FGEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000569822853 506025222 /nfs/dbraw/zinc/02/52/22/506025222.db2.gz VQKWCBFUDPQZED-KXBFYZLASA-N 1 1 353.466 3.477 20 30 FGEDMO N#Cc1ccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000302052992 498386338 /nfs/dbraw/zinc/38/63/38/498386338.db2.gz PAMQWQOPNVXBAD-GOSISDBHSA-N 1 1 366.421 3.035 20 30 FGEDMO N#C[C@H]1CC[C@H](N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)C1 ZINC000293525283 498403366 /nfs/dbraw/zinc/40/33/66/498403366.db2.gz PABVDYSWOVGIFD-HOTGVXAUSA-N 1 1 371.510 3.041 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@@H](Nc3nnc(C)c(C)c3C#N)[C@H](C)C2)s1 ZINC000361832277 498438877 /nfs/dbraw/zinc/43/88/77/498438877.db2.gz WVQLQAXVZVKOBU-PIGZYNQJSA-N 1 1 356.499 3.053 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000365415986 498456742 /nfs/dbraw/zinc/45/67/42/498456742.db2.gz YYHCJPNAANPOKM-OAHLLOKOSA-N 1 1 370.884 3.459 20 30 FGEDMO C=CC[C@H](CC)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000286696738 498480122 /nfs/dbraw/zinc/48/01/22/498480122.db2.gz FNDQSMFZUBJLLA-HBMCJLEFSA-N 1 1 366.509 3.107 20 30 FGEDMO CCN(C(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000572756815 506045060 /nfs/dbraw/zinc/04/50/60/506045060.db2.gz CNWNCKIRHWTVJY-SFHVURJKSA-N 1 1 365.477 3.448 20 30 FGEDMO CCN(C(=O)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000572756815 506045064 /nfs/dbraw/zinc/04/50/64/506045064.db2.gz CNWNCKIRHWTVJY-SFHVURJKSA-N 1 1 365.477 3.448 20 30 FGEDMO CC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331994731 498525633 /nfs/dbraw/zinc/52/56/33/498525633.db2.gz VIQCLKBMEOWNOQ-UONOGXRCSA-N 1 1 361.511 3.184 20 30 FGEDMO CC[C@@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331994731 498525636 /nfs/dbraw/zinc/52/56/36/498525636.db2.gz VIQCLKBMEOWNOQ-UONOGXRCSA-N 1 1 361.511 3.184 20 30 FGEDMO C#CC[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1CC)c1ccccc1 ZINC000362725078 498545799 /nfs/dbraw/zinc/54/57/99/498545799.db2.gz MJOZACWWORZXKR-RTBURBONSA-N 1 1 350.466 3.384 20 30 FGEDMO N#CC1CCC(CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000282544309 498553911 /nfs/dbraw/zinc/55/39/11/498553911.db2.gz AYPVVOIXMBMEOL-UHFFFAOYSA-N 1 1 370.497 3.013 20 30 FGEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000365755412 498626560 /nfs/dbraw/zinc/62/65/60/498626560.db2.gz ALMKUJYCTIOEAL-SFHVURJKSA-N 1 1 371.444 3.305 20 30 FGEDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000332483279 498700003 /nfs/dbraw/zinc/70/00/03/498700003.db2.gz ZEOFSIJWYUKCMT-UHFFFAOYSA-N 1 1 373.254 3.303 20 30 FGEDMO C[C@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000298427401 498768618 /nfs/dbraw/zinc/76/86/18/498768618.db2.gz LRDHPVPDZAAZGK-BJLQDIEVSA-N 1 1 354.498 3.375 20 30 FGEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000283081340 498773514 /nfs/dbraw/zinc/77/35/14/498773514.db2.gz UPMFXCWALVNQDJ-LBPRGKRZSA-N 1 1 370.375 3.262 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000298477776 498785299 /nfs/dbraw/zinc/78/52/99/498785299.db2.gz DZOOKMBKQWCWSJ-KZULUSFZSA-N 1 1 363.412 3.136 20 30 FGEDMO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283246384 498829814 /nfs/dbraw/zinc/82/98/14/498829814.db2.gz CJOXAOPAXHRENO-KBXCAEBGSA-N 1 1 372.831 3.169 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283246384 498829821 /nfs/dbraw/zinc/82/98/21/498829821.db2.gz CJOXAOPAXHRENO-KBXCAEBGSA-N 1 1 372.831 3.169 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c(C#N)c1C ZINC000291186399 498834918 /nfs/dbraw/zinc/83/49/18/498834918.db2.gz OTRFHVPPICFLCB-IVJVFBROSA-N 1 1 373.497 3.358 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c(C#N)c1C ZINC000291186399 498834921 /nfs/dbraw/zinc/83/49/21/498834921.db2.gz OTRFHVPPICFLCB-IVJVFBROSA-N 1 1 373.497 3.358 20 30 FGEDMO N#CCCN(C(=O)C[NH+]1CCC(n2cccn2)CC1)c1cccc(Cl)c1 ZINC000363509988 498854092 /nfs/dbraw/zinc/85/40/92/498854092.db2.gz JPCDBSREZFOXOL-UHFFFAOYSA-N 1 1 371.872 3.120 20 30 FGEDMO C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000298714951 498858561 /nfs/dbraw/zinc/85/85/61/498858561.db2.gz JFJOQZFXQTUPJK-MRXNPFEDSA-N 1 1 373.460 3.086 20 30 FGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000328608863 498873876 /nfs/dbraw/zinc/87/38/76/498873876.db2.gz MDWYEQIPSINCAC-IBGZPJMESA-N 1 1 372.513 3.274 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000328613360 498876115 /nfs/dbraw/zinc/87/61/15/498876115.db2.gz QGTYPPMKEUPYFJ-LBPRGKRZSA-N 1 1 366.263 3.051 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)cc4c3OCOC4)C2)nc1 ZINC000366353026 498888343 /nfs/dbraw/zinc/88/83/43/498888343.db2.gz AIYUCMZGSOXXNY-KRWDZBQOSA-N 1 1 371.824 3.126 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(Cl)cc4c3OCOC4)C2)nc1 ZINC000366353026 498888348 /nfs/dbraw/zinc/88/83/48/498888348.db2.gz AIYUCMZGSOXXNY-KRWDZBQOSA-N 1 1 371.824 3.126 20 30 FGEDMO O=C(Nc1ccc(OC(F)F)nc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000328708489 498910317 /nfs/dbraw/zinc/91/03/17/498910317.db2.gz QKXGGBZIVBUIMN-UHFFFAOYSA-N 1 1 354.401 3.179 20 30 FGEDMO CC(C)c1cc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)nn1C(C)(C)C ZINC000328716562 498913043 /nfs/dbraw/zinc/91/30/43/498913043.db2.gz DXCOMPCLOURBCV-UHFFFAOYSA-N 1 1 372.517 3.469 20 30 FGEDMO C[C@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000328722292 498915296 /nfs/dbraw/zinc/91/52/96/498915296.db2.gz XLYSRPLEPNRCAF-ZMSDIMECSA-N 1 1 362.518 3.185 20 30 FGEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000328728041 498917403 /nfs/dbraw/zinc/91/74/03/498917403.db2.gz GPFPQCGOEMXXJN-HUUCEWRRSA-N 1 1 361.490 3.191 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000570188769 506111714 /nfs/dbraw/zinc/11/17/14/506111714.db2.gz SDCRWWNOIIRJGH-MRXNPFEDSA-N 1 1 371.872 3.022 20 30 FGEDMO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCN2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000328734939 498921033 /nfs/dbraw/zinc/92/10/33/498921033.db2.gz KLEWHFJJZZEOEZ-NJAFHUGGSA-N 1 1 358.486 3.201 20 30 FGEDMO Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2CCCC(F)(F)C2)CC1 ZINC000328819147 498948121 /nfs/dbraw/zinc/94/81/21/498948121.db2.gz OLCNMZZXWRUGAE-CQSZACIVSA-N 1 1 354.445 3.414 20 30 FGEDMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3cccc4ccsc43)CC2)cn1 ZINC000328818545 498948685 /nfs/dbraw/zinc/94/86/85/498948685.db2.gz OICPIFKKYUKGIC-UHFFFAOYSA-N 1 1 369.494 3.388 20 30 FGEDMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3cccc4ccsc43)CC2)cn1 ZINC000328818545 498948690 /nfs/dbraw/zinc/94/86/90/498948690.db2.gz OICPIFKKYUKGIC-UHFFFAOYSA-N 1 1 369.494 3.388 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000328853971 498962287 /nfs/dbraw/zinc/96/22/87/498962287.db2.gz SRWBNQHYAPJTEH-HOCLYGCPSA-N 1 1 360.454 3.183 20 30 FGEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1OCC#N ZINC000299147622 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CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000329104715 499043658 /nfs/dbraw/zinc/04/36/58/499043658.db2.gz OEHISTGHWONYGR-KZNAEPCWSA-N 1 1 363.889 3.443 20 30 FGEDMO CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000329104715 499043663 /nfs/dbraw/zinc/04/36/63/499043663.db2.gz OEHISTGHWONYGR-KZNAEPCWSA-N 1 1 363.889 3.443 20 30 FGEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000299403457 499048807 /nfs/dbraw/zinc/04/88/07/499048807.db2.gz WPFKUPLMHMMFAJ-AWEZNQCLSA-N 1 1 366.387 3.354 20 30 FGEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000299403457 499048809 /nfs/dbraw/zinc/04/88/09/499048809.db2.gz WPFKUPLMHMMFAJ-AWEZNQCLSA-N 1 1 366.387 3.354 20 30 FGEDMO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000329121420 499049206 /nfs/dbraw/zinc/04/92/06/499049206.db2.gz WCASXBXQBWVPGR-SJLPKXTDSA-N 1 1 360.502 3.132 20 30 FGEDMO Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@H]2CCCC(C)(C)C2)CCC[N@H+]1C ZINC000329178337 499064456 /nfs/dbraw/zinc/06/44/56/499064456.db2.gz MHTILVLJKKMMNI-XYJFISCASA-N 1 1 361.534 3.275 20 30 FGEDMO O=C(C[C@@H]1CCCS(=O)(=O)C1)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000329192728 499067279 /nfs/dbraw/zinc/06/72/79/499067279.db2.gz SEJAJUNYRGYYHZ-KRWDZBQOSA-N 1 1 370.559 3.204 20 30 FGEDMO Cc1cnn(CC2CC[NH+]([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000329196653 499068369 /nfs/dbraw/zinc/06/83/69/499068369.db2.gz VZHUMTVMKIWNEC-HNNXBMFYSA-N 1 1 370.453 3.309 20 30 FGEDMO CC[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)N1CCCC1=O ZINC000329239853 499081521 /nfs/dbraw/zinc/08/15/21/499081521.db2.gz QPOGURIKFQHPPB-GPMSIDNRSA-N 1 1 373.497 3.285 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000329255932 499084404 /nfs/dbraw/zinc/08/44/04/499084404.db2.gz XJCOFXPQIYMYQY-IBGZPJMESA-N 1 1 372.513 3.041 20 30 FGEDMO C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329257298 499085717 /nfs/dbraw/zinc/08/57/17/499085717.db2.gz 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ZINC000611396862 507661294 /nfs/dbraw/zinc/66/12/94/507661294.db2.gz OAKVBVJBSXWWHR-NVXWUHKLSA-N 1 1 371.403 3.037 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CC1=CCCOC1 ZINC000595746980 507663397 /nfs/dbraw/zinc/66/33/97/507663397.db2.gz HUKOGXHBHMIXHV-OAHLLOKOSA-N 1 1 359.495 3.298 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CC1=CCCOC1 ZINC000595746980 507663398 /nfs/dbraw/zinc/66/33/98/507663398.db2.gz HUKOGXHBHMIXHV-OAHLLOKOSA-N 1 1 359.495 3.298 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CC1=CCCOC1 ZINC000595750393 507664872 /nfs/dbraw/zinc/66/48/72/507664872.db2.gz BDMNQKYGESEINQ-CQSZACIVSA-N 1 1 373.522 3.494 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CC1=CCCOC1 ZINC000595750393 507664873 /nfs/dbraw/zinc/66/48/73/507664873.db2.gz BDMNQKYGESEINQ-CQSZACIVSA-N 1 1 373.522 3.494 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4COC[C@]4(C)C3)sc2C1 ZINC000595759912 507672248 /nfs/dbraw/zinc/67/22/48/507672248.db2.gz 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CN(C)c1ccccc1C[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551221 507733359 /nfs/dbraw/zinc/73/33/59/507733359.db2.gz OLRPEILYRPMKEM-NRFANRHFSA-N 1 1 352.457 3.274 20 30 FGEDMO COC1(c2noc(CC3CC[NH+](C[C@H](C#N)CCC#N)CC3)n2)CCCC1 ZINC000595915697 507742507 /nfs/dbraw/zinc/74/25/07/507742507.db2.gz JUYXFKBWUOLMGF-KRWDZBQOSA-N 1 1 371.485 3.183 20 30 FGEDMO C[C@H](C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccc(F)cc1 ZINC000615112865 507755918 /nfs/dbraw/zinc/75/59/18/507755918.db2.gz IOTMRHYPNXMQMP-CQSZACIVSA-N 1 1 354.429 3.488 20 30 FGEDMO Cc1cscc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328620115 526468308 /nfs/dbraw/zinc/46/83/08/526468308.db2.gz GRVFREHUIHLMFB-WMLDXEAASA-N 1 1 361.515 3.350 20 30 FGEDMO CC[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000821222022 607058036 /nfs/dbraw/zinc/05/80/36/607058036.db2.gz NSASDMYZHJEXPZ-CYBMUJFWSA-N 1 1 350.401 3.461 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]CC1(N(C)C)CCC1 ZINC000097927881 700464295 /nfs/dbraw/zinc/46/42/95/700464295.db2.gz UXTXSIAAYPFSQB-UHFFFAOYSA-N 1 1 351.288 3.035 20 30 FGEDMO CCCCCCCCc1nnc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)s1 ZINC000122131277 700684827 /nfs/dbraw/zinc/68/48/27/700684827.db2.gz MHBUXLRCUNRYPH-OAHLLOKOSA-N 1 1 367.563 3.016 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000157996117 705169348 /nfs/dbraw/zinc/16/93/48/705169348.db2.gz KXJDZCKFKUCLLE-OAHLLOKOSA-N 1 1 352.400 3.367 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000178002330 705649939 /nfs/dbraw/zinc/64/99/39/705649939.db2.gz RAUCKUYEZAHATN-GOSISDBHSA-N 1 1 357.251 3.412 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3cccc(Br)c3C2)cc1 ZINC000178002330 705649942 /nfs/dbraw/zinc/64/99/42/705649942.db2.gz RAUCKUYEZAHATN-GOSISDBHSA-N 1 1 357.251 3.412 20 30 FGEDMO C[N@H+](CCN1C(=O)CS/C1=C\C(=O)C(C)(C)C)Cc1ccc(F)cc1 ZINC000187395500 712741041 /nfs/dbraw/zinc/74/10/41/712741041.db2.gz YRHYUHKZFYDPOQ-WQRHYEAKSA-N 1 1 364.486 3.290 20 30 FGEDMO C[N@@H+](CCN1C(=O)CS/C1=C\C(=O)C(C)(C)C)Cc1ccc(F)cc1 ZINC000187395500 712741043 /nfs/dbraw/zinc/74/10/43/712741043.db2.gz YRHYUHKZFYDPOQ-WQRHYEAKSA-N 1 1 364.486 3.290 20 30 FGEDMO N#Cc1csc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191687062 712841511 /nfs/dbraw/zinc/84/15/11/712841511.db2.gz PQYVOFHWDJGIRW-UHFFFAOYSA-N 1 1 373.429 3.202 20 30 FGEDMO N#Cc1csc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000191687062 712841512 /nfs/dbraw/zinc/84/15/12/712841512.db2.gz PQYVOFHWDJGIRW-UHFFFAOYSA-N 1 1 373.429 3.202 20 30 FGEDMO C=C(Br)CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000247101114 713636062 /nfs/dbraw/zinc/63/60/62/713636062.db2.gz XEYGVQWDFKVXKQ-LSDHHAIUSA-N 1 1 358.324 3.191 20 30 FGEDMO C[C@H](CNC(=O)/C=C\c1ccccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000255002319 713679905 /nfs/dbraw/zinc/67/99/05/713679905.db2.gz NVYCHGAKDZNZDG-IDTUSYRASA-N 1 1 351.475 3.196 20 30 FGEDMO Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1OCC(F)F ZINC000328769459 713825806 /nfs/dbraw/zinc/82/58/06/713825806.db2.gz QQJWAPPVUWLOFH-LSDHHAIUSA-N 1 1 353.413 3.401 20 30 FGEDMO CO[C@H]1C[C@@H](C(=O)NCCc2nc(C3CCCCC3)cs2)[N@H+](C)C1 ZINC000328920824 713826900 /nfs/dbraw/zinc/82/69/00/713826900.db2.gz BGSIIWGHGVJBOI-HOCLYGCPSA-N 1 1 351.516 3.409 20 30 FGEDMO CO[C@H]1C[C@@H](C(=O)NCCc2nc(C3CCCCC3)cs2)[N@@H+](C)C1 ZINC000328920824 713826904 /nfs/dbraw/zinc/82/69/04/713826904.db2.gz BGSIIWGHGVJBOI-HOCLYGCPSA-N 1 1 351.516 3.409 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000779155803 724396156 /nfs/dbraw/zinc/39/61/56/724396156.db2.gz KIUHLJGOMNYIDE-INIZCTEOSA-N 1 1 362.901 3.336 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000779166203 724396997 /nfs/dbraw/zinc/39/69/97/724396997.db2.gz ULHVCBJLEBLUOC-MRXNPFEDSA-N 1 1 363.885 3.370 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+](C)C[C@H](O)C(F)(F)F)cc1OC ZINC000628279957 716134544 /nfs/dbraw/zinc/13/45/44/716134544.db2.gz JBBFOIQKJLQUKK-ZDUSSCGKSA-N 1 1 353.768 3.268 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)cc1OC ZINC000628279957 716134547 /nfs/dbraw/zinc/13/45/47/716134547.db2.gz JBBFOIQKJLQUKK-ZDUSSCGKSA-N 1 1 353.768 3.268 20 30 FGEDMO C#CCCOc1ccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000768252720 723652016 /nfs/dbraw/zinc/65/20/16/723652016.db2.gz NJBJURREHPOVTC-UHFFFAOYSA-N 1 1 355.869 3.459 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCc1ccc(C#N)cc1OC(F)F ZINC000803855689 724475958 /nfs/dbraw/zinc/47/59/58/724475958.db2.gz JEZFYNIUZZYDQJ-OAHLLOKOSA-N 1 1 352.381 3.467 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000804127008 724488101 /nfs/dbraw/zinc/48/81/01/724488101.db2.gz UDRRAJASTJLZKJ-OALUTQOASA-N 1 1 360.885 3.022 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000804127008 724488103 /nfs/dbraw/zinc/48/81/03/724488103.db2.gz UDRRAJASTJLZKJ-OALUTQOASA-N 1 1 360.885 3.022 20 30 FGEDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000646055892 718260338 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Cc1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1C#N ZINC001164695736 719891080 /nfs/dbraw/zinc/89/10/80/719891080.db2.gz UDVYSRBWHPRKHS-UHFFFAOYSA-N 1 1 368.506 3.195 20 30 FGEDMO N#Cc1cc(Cl)cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911553 721528087 /nfs/dbraw/zinc/52/80/87/721528087.db2.gz XDDLLDHYXMPQSG-WMZOPIPTSA-N 1 1 372.831 3.088 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(C#N)c3F)C[C@@H]21 ZINC001165025536 721811854 /nfs/dbraw/zinc/81/18/54/721811854.db2.gz NKLFRAACHRWRSJ-YTQUADARSA-N 1 1 365.456 3.224 20 30 FGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000677479935 721897446 /nfs/dbraw/zinc/89/74/46/721897446.db2.gz RSZCRGUYUWXGIA-KBPBESRZSA-N 1 1 364.287 3.297 20 30 FGEDMO C=CCCOCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677821308 721918023 /nfs/dbraw/zinc/91/80/23/721918023.db2.gz XAIXHRQNHDGAFD-RDTXWAMCSA-N 1 1 354.853 3.181 20 30 FGEDMO COc1ccc(C[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)cn1 ZINC000677898460 721923315 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C#Cc1cccc(NC(=S)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000726458449 722434673 /nfs/dbraw/zinc/43/46/73/722434673.db2.gz XOPQUYMVNDBIRJ-AWEZNQCLSA-N 1 1 355.532 3.463 20 30 FGEDMO C#Cc1cccc(NC(=S)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000726458449 722434674 /nfs/dbraw/zinc/43/46/74/722434674.db2.gz XOPQUYMVNDBIRJ-AWEZNQCLSA-N 1 1 355.532 3.463 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCc1ccccc1OC(F)(F)F ZINC000729812650 722462841 /nfs/dbraw/zinc/46/28/41/722462841.db2.gz ZHWBVQOJJPSNBV-HNNXBMFYSA-N 1 1 355.356 3.159 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000729811828 722462847 /nfs/dbraw/zinc/46/28/47/722462847.db2.gz CZMDNTPOEQBWTM-CHWSQXEVSA-N 1 1 356.249 3.402 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)NC1CCCCC1 ZINC000734361379 722506489 /nfs/dbraw/zinc/50/64/89/722506489.db2.gz BXTDYDABGBIMEO-OAHLLOKOSA-N 1 1 359.543 3.076 20 30 FGEDMO CCOCCC[N@H+]1CCC(=NNC(=S)N[C@@H]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000735228106 722513483 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C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(Br)cc1Cl ZINC000756543339 722966505 /nfs/dbraw/zinc/96/65/05/722966505.db2.gz QBSMBCPLONQPLB-LBPRGKRZSA-N 1 1 356.647 3.357 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(Br)cc1Cl ZINC000756543339 722966506 /nfs/dbraw/zinc/96/65/06/722966506.db2.gz QBSMBCPLONQPLB-LBPRGKRZSA-N 1 1 356.647 3.357 20 30 FGEDMO Clc1cc(Cl)c2c(c1)OCCC2=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000758877635 722996198 /nfs/dbraw/zinc/99/61/98/722996198.db2.gz DZBJBUSVWJGSOL-RYUDHWBXSA-N 1 1 353.253 3.340 20 30 FGEDMO CC1(C)CC(=NNC(=S)Nc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000761267095 723138656 /nfs/dbraw/zinc/13/86/56/723138656.db2.gz NHUULPGTSVNEPM-UHFFFAOYSA-N 1 1 353.495 3.409 20 30 FGEDMO CC1(C)CC(=NNC(=S)Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000761267095 723138658 /nfs/dbraw/zinc/13/86/58/723138658.db2.gz NHUULPGTSVNEPM-UHFFFAOYSA-N 1 1 353.495 3.409 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000790659170 723165175 /nfs/dbraw/zinc/16/51/75/723165175.db2.gz GSOFOMHMTXSHRK-WMLDXEAASA-N 1 1 352.400 3.388 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792907598 723380785 /nfs/dbraw/zinc/38/07/85/723380785.db2.gz TWUMBZYJGWPFGR-VNHYZAJKSA-N 1 1 358.313 3.233 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792907598 723380790 /nfs/dbraw/zinc/38/07/90/723380790.db2.gz TWUMBZYJGWPFGR-VNHYZAJKSA-N 1 1 358.313 3.233 20 30 FGEDMO C#C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)c1ccc(Cl)cc1 ZINC000794068989 723487469 /nfs/dbraw/zinc/48/74/69/723487469.db2.gz GYJYUDSZPANUKA-OALUTQOASA-N 1 1 353.853 3.190 20 30 FGEDMO C#C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)c1ccc(Cl)cc1 ZINC000794068989 723487480 /nfs/dbraw/zinc/48/74/80/723487480.db2.gz GYJYUDSZPANUKA-OALUTQOASA-N 1 1 353.853 3.190 20 30 FGEDMO C[C@H]1CCSCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000794570020 723531763 /nfs/dbraw/zinc/53/17/63/723531763.db2.gz COFMARPZUDPRJM-DZGCQCFKSA-N 1 1 352.463 3.051 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000796339333 723633231 /nfs/dbraw/zinc/63/32/31/723633231.db2.gz VHQQSSRAVILDEI-JSGCOSHPSA-N 1 1 362.779 3.235 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000796339333 723633232 /nfs/dbraw/zinc/63/32/32/723633232.db2.gz VHQQSSRAVILDEI-JSGCOSHPSA-N 1 1 362.779 3.235 20 30 FGEDMO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2CCCSCC#N)C1 ZINC000796570030 723644390 /nfs/dbraw/zinc/64/43/90/723644390.db2.gz HFTWZKFGONBFDI-IRXDYDNUSA-N 1 1 353.532 3.356 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544719 723941931 /nfs/dbraw/zinc/94/19/31/723941931.db2.gz RKICHIAQDPVJCI-JLSDUUJJSA-N 1 1 365.880 3.429 20 30 FGEDMO CC(=NNCCC[NH+]1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000799490931 724034025 /nfs/dbraw/zinc/03/40/25/724034025.db2.gz AEBKAPNYTNBCAI-UHFFFAOYSA-N 1 1 363.811 3.395 20 30 FGEDMO C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000775799838 724063622 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C#Cc1ccc(C[N@@H+](CCO)Cc2ccc(Br)s2)cc1 ZINC000809652850 725255935 /nfs/dbraw/zinc/25/59/35/725255935.db2.gz NLUXXQXJOSGSPL-UHFFFAOYSA-N 1 1 350.281 3.486 20 30 FGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000811514250 725371756 /nfs/dbraw/zinc/37/17/56/725371756.db2.gz GFJUUIWEHZJRDG-AWEZNQCLSA-N 1 1 356.388 3.142 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000811991271 725386817 /nfs/dbraw/zinc/38/68/17/725386817.db2.gz HIUYJFQGVZAAJU-JKSUJKDBSA-N 1 1 363.820 3.349 20 30 FGEDMO CN(C)C(=O)OC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000816655071 727185609 /nfs/dbraw/zinc/18/56/09/727185609.db2.gz OICYETSQRVGDFB-UHFFFAOYSA-N 1 1 355.360 3.240 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc2cccc(Br)c21 ZINC000818595789 727315692 /nfs/dbraw/zinc/31/56/92/727315692.db2.gz NVOCHKPXNMVGHE-UHFFFAOYSA-N 1 1 359.267 3.287 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CC[N@H+](CC)C2)s1 ZINC000819143347 727352161 /nfs/dbraw/zinc/35/21/61/727352161.db2.gz BIPTXWFEBKWURW-CYBMUJFWSA-N 1 1 373.975 3.297 20 30 FGEDMO C=CCOc1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)cc1Cl ZINC000827740626 729434067 /nfs/dbraw/zinc/43/40/67/729434067.db2.gz DUWOLEAQWDHINY-UHFFFAOYSA-N 1 1 350.846 3.321 20 30 FGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000829798661 729513138 /nfs/dbraw/zinc/51/31/38/729513138.db2.gz BYVIHRGUWPPDCP-HOTGVXAUSA-N 1 1 355.507 3.379 20 30 FGEDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1)C(N)=O ZINC000830558372 729571339 /nfs/dbraw/zinc/57/13/39/729571339.db2.gz VFJZDKOXHGSMGA-AWEZNQCLSA-N 1 1 363.889 3.356 20 30 FGEDMO C[NH+](C)C[C@](C)(CN=Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000834969878 729848513 /nfs/dbraw/zinc/84/85/13/729848513.db2.gz YVJWMIHOBKYJOY-IBGZPJMESA-N 1 1 359.495 3.007 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000836489153 729957496 /nfs/dbraw/zinc/95/74/96/729957496.db2.gz WSXZDYGDKGLBNC-AWEZNQCLSA-N 1 1 355.404 3.363 20 30 FGEDMO 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3.027 20 30 FGEDMO C[N@H+](CCCOc1ccc(Cl)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536621 495514055 /nfs/dbraw/zinc/51/40/55/495514055.db2.gz XJVZOMFQPLRYLB-SFHVURJKSA-N 1 1 357.841 3.139 20 30 FGEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536621 495514058 /nfs/dbraw/zinc/51/40/58/495514058.db2.gz XJVZOMFQPLRYLB-SFHVURJKSA-N 1 1 357.841 3.139 20 30 FGEDMO COc1ccccc1CC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115540606 495514588 /nfs/dbraw/zinc/51/45/88/495514588.db2.gz SULIUEIVHKMQBG-NRFANRHFSA-N 1 1 363.461 3.048 20 30 FGEDMO C[C@H]1[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCC12CCOCC2 ZINC000574509281 505789217 /nfs/dbraw/zinc/78/92/17/505789217.db2.gz CYFOZNLRFONUPP-QGZVFWFLSA-N 1 1 365.481 3.250 20 30 FGEDMO C[C@H](Sc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000158712653 495573220 /nfs/dbraw/zinc/57/32/20/495573220.db2.gz NXAVAMPYNOCARU-QFBILLFUSA-N 1 1 365.502 3.430 20 30 FGEDMO C=CC[N@H+](CCOc1cccc(S(C)(=O)=O)c1)CCc1ccccc1 ZINC000154486758 495631469 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FGEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159629441 495773242 /nfs/dbraw/zinc/77/32/42/495773242.db2.gz HNBGDHAAHXPKCM-QFIPXVFZSA-N 1 1 364.445 3.120 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159629441 495773250 /nfs/dbraw/zinc/77/32/50/495773250.db2.gz HNBGDHAAHXPKCM-QFIPXVFZSA-N 1 1 364.445 3.120 20 30 FGEDMO CN(C(=O)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000154932158 495777158 /nfs/dbraw/zinc/77/71/58/495777158.db2.gz GYWMQUFOBZCBOS-IBGZPJMESA-N 1 1 354.498 3.248 20 30 FGEDMO CN(C(=O)C[N@H+]1CCC[C@H](Nc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000154932158 495777166 /nfs/dbraw/zinc/77/71/66/495777166.db2.gz GYWMQUFOBZCBOS-IBGZPJMESA-N 1 1 354.498 3.248 20 30 FGEDMO COC(=O)[C@@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000176805277 495792074 /nfs/dbraw/zinc/79/20/74/495792074.db2.gz CAOWVWZVVJMFOV-UWJYYQICSA-N 1 1 365.477 3.273 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccco1 ZINC000171290969 495806728 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C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)cc1F ZINC000171858500 496066354 /nfs/dbraw/zinc/06/63/54/496066354.db2.gz FIPBYSPKYTYOKG-MRXNPFEDSA-N 1 1 366.440 3.113 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)cc1F ZINC000171858500 496066358 /nfs/dbraw/zinc/06/63/58/496066358.db2.gz FIPBYSPKYTYOKG-MRXNPFEDSA-N 1 1 366.440 3.113 20 30 FGEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000171965282 496111706 /nfs/dbraw/zinc/11/17/06/496111706.db2.gz AWVXIWJROIXLSG-MRXNPFEDSA-N 1 1 354.454 3.065 20 30 FGEDMO CN(C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C ZINC000155934122 496111934 /nfs/dbraw/zinc/11/19/34/496111934.db2.gz HFTSSIYGHZVUKV-MJGOQNOKSA-N 1 1 373.497 3.171 20 30 FGEDMO Cc1cc(C)c2ncc(C#N)c(N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)c2c1 ZINC000186814780 496164364 /nfs/dbraw/zinc/16/43/64/496164364.db2.gz QSDIFZZHFRTTIC-MRXNPFEDSA-N 1 1 352.482 3.005 20 30 FGEDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000177741469 496179775 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20 30 FGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181143179 496286027 /nfs/dbraw/zinc/28/60/27/496286027.db2.gz ARFJBTJGPMZXLE-KRWDZBQOSA-N 1 1 352.482 3.251 20 30 FGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181143179 496286030 /nfs/dbraw/zinc/28/60/30/496286030.db2.gz ARFJBTJGPMZXLE-KRWDZBQOSA-N 1 1 352.482 3.251 20 30 FGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181143179 496286036 /nfs/dbraw/zinc/28/60/36/496286036.db2.gz ARFJBTJGPMZXLE-KRWDZBQOSA-N 1 1 352.482 3.251 20 30 FGEDMO N#Cc1cccc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000577994696 505836664 /nfs/dbraw/zinc/83/66/64/505836664.db2.gz RHZXEPWIQLDQKR-FCHUYYIVSA-N 1 1 374.488 3.222 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000580780621 505837654 /nfs/dbraw/zinc/83/76/54/505837654.db2.gz FOPJFMAUWJETNT-VGOFRKELSA-N 1 1 363.461 3.106 20 30 FGEDMO 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/nfs/dbraw/zinc/32/99/21/501329921.db2.gz VXKLYFYVSNJZGP-QRVBRYPASA-N 1 1 373.545 3.406 20 30 FGEDMO C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000453446111 501334031 /nfs/dbraw/zinc/33/40/31/501334031.db2.gz VXKLYFYVSNJZGP-GBESFXJTSA-N 1 1 373.545 3.406 20 30 FGEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453453586 501335468 /nfs/dbraw/zinc/33/54/68/501335468.db2.gz OMPQQWLEWWPSAW-ZIFCJYIRSA-N 1 1 368.529 3.026 20 30 FGEDMO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000453470340 501340781 /nfs/dbraw/zinc/34/07/81/501340781.db2.gz PQLIZENMVURWQG-NZSAHSFTSA-N 1 1 371.529 3.159 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000451702027 501354964 /nfs/dbraw/zinc/35/49/64/501354964.db2.gz IEBPUJIGRYAGNU-SVFBPWRDSA-N 1 1 369.509 3.033 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000455766255 501381719 /nfs/dbraw/zinc/38/17/19/501381719.db2.gz TUGXXJYZCORYSV-NVXWUHKLSA-N 1 1 355.829 3.174 20 30 FGEDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000458173212 501384590 /nfs/dbraw/zinc/38/45/90/501384590.db2.gz RERREJZFVZYTSV-INIZCTEOSA-N 1 1 367.449 3.192 20 30 FGEDMO CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000451953636 501407068 /nfs/dbraw/zinc/40/70/68/501407068.db2.gz KMMRCQMJOGIILB-JKSUJKDBSA-N 1 1 351.454 3.193 20 30 FGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000451953636 501407072 /nfs/dbraw/zinc/40/70/72/501407072.db2.gz KMMRCQMJOGIILB-JKSUJKDBSA-N 1 1 351.454 3.193 20 30 FGEDMO C[C@H]1C[C@H](CCNC(=O)N(C)CC(C)(C)C#N)C[N@H+]1Cc1ccccc1 ZINC000458587999 501481633 /nfs/dbraw/zinc/48/16/33/501481633.db2.gz KSDXUVHVXWDYDO-HKUYNNGSSA-N 1 1 356.514 3.478 20 30 FGEDMO COc1cccc([C@H]2[C@@H](NC(=O)N(C)CC(C)(C)C#N)CC[N@H+]2C2CC2)c1 ZINC000458682814 501506743 /nfs/dbraw/zinc/50/67/43/501506743.db2.gz OOVUDGYDZIJCLA-OALUTQOASA-N 1 1 370.497 3.164 20 30 FGEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000456360498 501508725 /nfs/dbraw/zinc/50/87/25/501508725.db2.gz VJCDBLLICDZQDS-SFHVURJKSA-N 1 1 364.449 3.302 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)C[C@@H](C)O1 ZINC000452562051 501523604 /nfs/dbraw/zinc/52/36/04/501523604.db2.gz NDHZBYPKRJJXLI-WWNBULGVSA-N 1 1 355.482 3.108 20 30 FGEDMO CC[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000458794048 501533431 /nfs/dbraw/zinc/53/34/31/501533431.db2.gz AKMIGPMAVDWHFG-WOJBJXKFSA-N 1 1 372.513 3.174 20 30 FGEDMO C=CCOc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000582504640 506260420 /nfs/dbraw/zinc/26/04/20/506260420.db2.gz OCRRNWPPKBJRRT-LJQANCHMSA-N 1 1 359.514 3.419 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459048153 501583004 /nfs/dbraw/zinc/58/30/04/501583004.db2.gz TYXKPWRYPVYBRX-AQNXPRMDSA-N 1 1 357.498 3.026 20 30 FGEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598986668 506262280 /nfs/dbraw/zinc/26/22/80/506262280.db2.gz KFSGJMQBYLQBMG-IBGZPJMESA-N 1 1 354.498 3.085 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)N(C)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000582506066 506262408 /nfs/dbraw/zinc/26/24/08/506262408.db2.gz LDJZINBPEGCHDH-UWJYYQICSA-N 1 1 362.477 3.363 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000452966396 501594341 /nfs/dbraw/zinc/59/43/41/501594341.db2.gz XEFPKOKFGXXWNC-RTWAWAEBSA-N 1 1 350.462 3.392 20 30 FGEDMO C[C@@H]1[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000454953402 501661041 /nfs/dbraw/zinc/66/10/41/501661041.db2.gz CMPWBOYRWZURID-QRWLVFNGSA-N 1 1 366.440 3.160 20 30 FGEDMO C[N@@H+](CCCCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)C1CC1 ZINC000457176271 501662061 /nfs/dbraw/zinc/66/20/61/501662061.db2.gz ZEMIQQYEBHVJIP-UHFFFAOYSA-N 1 1 365.481 3.068 20 30 FGEDMO Cc1nsc(NC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1C#N ZINC000459571925 501678996 /nfs/dbraw/zinc/67/89/96/501678996.db2.gz DIBVTBVVEVZLSK-CQSZACIVSA-N 1 1 369.494 3.452 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000457481180 501707085 /nfs/dbraw/zinc/70/70/85/501707085.db2.gz JPSZUJCHFFOFMV-SFHVURJKSA-N 1 1 374.847 3.453 20 30 FGEDMO C[C@H](C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1)C(=O)OC(C)(C)C ZINC000459816246 501717895 /nfs/dbraw/zinc/71/78/95/501717895.db2.gz WIVNILKSLPTBSN-IAGOWNOFSA-N 1 1 373.497 3.231 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(C(F)(F)F)cc1NC(=O)CSCC#N ZINC000460013213 501724872 /nfs/dbraw/zinc/72/48/72/501724872.db2.gz IKNDPDDCNUXSKJ-UHFFFAOYSA-N 1 1 354.357 3.395 20 30 FGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000467203517 501735557 /nfs/dbraw/zinc/73/55/57/501735557.db2.gz APOKFBFZUOXSKD-PBHICJAKSA-N 1 1 352.400 3.294 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CNc1ccc(C#N)cc1 ZINC000470594204 501738710 /nfs/dbraw/zinc/73/87/10/501738710.db2.gz IRSRWANCHRUDEV-OAQYLSRUSA-N 1 1 364.493 3.243 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000470600570 501739766 /nfs/dbraw/zinc/73/97/66/501739766.db2.gz IYDKMHPRZFWMKC-UHFFFAOYSA-N 1 1 368.886 3.323 20 30 FGEDMO C=CCOCCC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000470717393 501780653 /nfs/dbraw/zinc/78/06/53/501780653.db2.gz JMKBJONBKRSAIG-UHFFFAOYSA-N 1 1 356.388 3.056 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000467475634 501804760 /nfs/dbraw/zinc/80/47/60/501804760.db2.gz YGFACQKUUCCJEE-KDOFPFPSSA-N 1 1 352.413 3.482 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C1=O ZINC000467520686 501815837 /nfs/dbraw/zinc/81/58/37/501815837.db2.gz JILCBVVGMKDPKN-LJQANCHMSA-N 1 1 350.466 3.068 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C1=O ZINC000467520686 501815840 /nfs/dbraw/zinc/81/58/40/501815840.db2.gz JILCBVVGMKDPKN-LJQANCHMSA-N 1 1 350.466 3.068 20 30 FGEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485456522 501826511 /nfs/dbraw/zinc/82/65/11/501826511.db2.gz HFYYDHTZVSOMCH-SFHVURJKSA-N 1 1 371.481 3.107 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000481657151 501841868 /nfs/dbraw/zinc/84/18/68/501841868.db2.gz MLHAWOODISJRDZ-VQTJNVASSA-N 1 1 354.498 3.353 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000464151835 501909348 /nfs/dbraw/zinc/90/93/48/501909348.db2.gz KXBJBOAVLGGEMX-WHSLLNHNSA-N 1 1 357.498 3.354 20 30 FGEDMO C=CC1CCN(C(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000478227889 501915407 /nfs/dbraw/zinc/91/54/07/501915407.db2.gz KVJBLIVQVOKXGZ-QGZVFWFLSA-N 1 1 369.509 3.282 20 30 FGEDMO C=C(C)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460777265 501919297 /nfs/dbraw/zinc/91/92/97/501919297.db2.gz ZGNMSDFEEJJYLQ-MRXNPFEDSA-N 1 1 355.461 3.333 20 30 FGEDMO C[N@@H+](CCOc1ccc(F)cc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485820389 501950335 /nfs/dbraw/zinc/95/03/35/501950335.db2.gz WKJPGGKIQFGDLZ-FQEVSTJZSA-N 1 1 367.424 3.204 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C[C@H]1C ZINC000460920291 501958461 /nfs/dbraw/zinc/95/84/61/501958461.db2.gz BFYIPIWOMYVWPB-IAGOWNOFSA-N 1 1 366.513 3.392 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CCO)CC2CCCCC2)c1 ZINC000485855182 501962981 /nfs/dbraw/zinc/96/29/81/501962981.db2.gz BVZQPFVHAUPQQQ-UHFFFAOYSA-N 1 1 371.525 3.425 20 30 FGEDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000468135855 501968219 /nfs/dbraw/zinc/96/82/19/501968219.db2.gz HLOCWIPNYUJTPM-UHFFFAOYSA-N 1 1 369.440 3.427 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000582550836 506288673 /nfs/dbraw/zinc/28/86/73/506288673.db2.gz XSZHJNMPIIOKND-NRFANRHFSA-N 1 1 364.449 3.353 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCS[C@H](C(C)C)C2)c(OC)c1 ZINC000464775405 502090570 /nfs/dbraw/zinc/09/05/70/502090570.db2.gz QTGPVWPAIPYSOZ-XLIONFOSSA-N 1 1 365.539 3.237 20 30 FGEDMO CN(C(=O)CCCCCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000588655869 506294045 /nfs/dbraw/zinc/29/40/45/506294045.db2.gz LGMQVFCFHCIZQM-PMACEKPBSA-N 1 1 362.562 3.256 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCOCc1ccccc1 ZINC000464849692 502119500 /nfs/dbraw/zinc/11/95/00/502119500.db2.gz LAQJJALXDRUOMY-LJQANCHMSA-N 1 1 365.477 3.470 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCOCc1ccccc1 ZINC000464849692 502119504 /nfs/dbraw/zinc/11/95/04/502119504.db2.gz LAQJJALXDRUOMY-LJQANCHMSA-N 1 1 365.477 3.470 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(Cc3cc(F)ccc3C#N)CC2)cc1 ZINC000468767752 502176031 /nfs/dbraw/zinc/17/60/31/502176031.db2.gz AUQRDSYHGMUGDM-UHFFFAOYSA-N 1 1 353.441 3.414 20 30 FGEDMO C[C@H](NCc1ccccc1C[NH+]1CCCCCC1)C(=O)NC1(C#N)CCC1 ZINC000468825412 502196473 /nfs/dbraw/zinc/19/64/73/502196473.db2.gz DGPQIJJPNDRZRI-SFHVURJKSA-N 1 1 368.525 3.103 20 30 FGEDMO CC#CCCNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000482878957 502205336 /nfs/dbraw/zinc/20/53/36/502205336.db2.gz WCRQSMUIVXGANR-UHFFFAOYSA-N 1 1 367.415 3.382 20 30 FGEDMO CC(C)(NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000596189127 506299916 /nfs/dbraw/zinc/29/99/16/506299916.db2.gz OICPNGYCAQCKKI-UHFFFAOYSA-N 1 1 368.506 3.212 20 30 FGEDMO CC(C)(NC(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000596189127 506299923 /nfs/dbraw/zinc/29/99/23/506299923.db2.gz OICPNGYCAQCKKI-UHFFFAOYSA-N 1 1 368.506 3.212 20 30 FGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000465224650 502220745 /nfs/dbraw/zinc/22/07/45/502220745.db2.gz ZJIWLBFFNAIUGW-FXAWDEMLSA-N 1 1 357.498 3.056 20 30 FGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCc3ncnn32)cc1 ZINC000602791585 506301043 /nfs/dbraw/zinc/30/10/43/506301043.db2.gz POXYKEXGIKRYQE-HXUWFJFHSA-N 1 1 361.424 3.479 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)ccc1OC ZINC000475642843 502240695 /nfs/dbraw/zinc/24/06/95/502240695.db2.gz VONQHFSKFVCBPA-NQIIRXRSSA-N 1 1 361.482 3.420 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)ccc1OC ZINC000475642843 502240703 /nfs/dbraw/zinc/24/07/03/502240703.db2.gz VONQHFSKFVCBPA-NQIIRXRSSA-N 1 1 361.482 3.420 20 30 FGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000461954168 502251099 /nfs/dbraw/zinc/25/10/99/502251099.db2.gz FSVYYWQYYWDQBX-PMACEKPBSA-N 1 1 354.498 3.232 20 30 FGEDMO CC#CCCNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000483218393 502316006 /nfs/dbraw/zinc/31/60/06/502316006.db2.gz HCHKTWZCPFDNKR-PBHICJAKSA-N 1 1 351.853 3.185 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469210766 502337629 /nfs/dbraw/zinc/33/76/29/502337629.db2.gz PMDMSJKSUBLPTH-UHFFFAOYSA-N 1 1 369.331 3.337 20 30 FGEDMO CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000469389279 502396353 /nfs/dbraw/zinc/39/63/53/502396353.db2.gz UGHUZMXBJQZVMG-QGZVFWFLSA-N 1 1 350.466 3.254 20 30 FGEDMO Cc1cc(N[C@@H]2CCC[C@@H]2CCO)c(C#N)c(N[C@H]2CCC[C@H]2CCO)[nH+]1 ZINC000596209818 506310779 /nfs/dbraw/zinc/31/07/79/506310779.db2.gz RWZBSHVDOVROOK-JFRXWTBNSA-N 1 1 372.513 3.188 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C(F)F)CC1 ZINC000483530197 502423146 /nfs/dbraw/zinc/42/31/46/502423146.db2.gz JORFFZNDSMEFJB-CYBMUJFWSA-N 1 1 353.388 3.438 20 30 FGEDMO COc1cccc(C2=CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000476234597 502423874 /nfs/dbraw/zinc/42/38/74/502423874.db2.gz SABZQJRIMTWOII-HXUWFJFHSA-N 1 1 364.445 3.096 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000466033997 502461187 /nfs/dbraw/zinc/46/11/87/502461187.db2.gz DRANXCSINANOGW-FZMZJTMJSA-N 1 1 370.375 3.104 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCSCc2ccccc2C#N)C[C@H]1C ZINC000483709526 502471510 /nfs/dbraw/zinc/47/15/10/502471510.db2.gz FHLGWIUJZRSYAM-APWZRJJASA-N 1 1 374.554 3.306 20 30 FGEDMO CCC[C@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000476521206 502512812 /nfs/dbraw/zinc/51/28/12/502512812.db2.gz HFIYMUJPEYMVBV-PMACEKPBSA-N 1 1 357.498 3.033 20 30 FGEDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000483960696 502532644 /nfs/dbraw/zinc/53/26/44/502532644.db2.gz SXSQNYWHBHSSLP-UHFFFAOYSA-N 1 1 369.440 3.427 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)c(OC(F)F)c1 ZINC000473197851 502540965 /nfs/dbraw/zinc/54/09/65/502540965.db2.gz PCEWLYRNNJRYMV-UHFFFAOYSA-N 1 1 354.422 3.258 20 30 FGEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487895808 502559769 /nfs/dbraw/zinc/55/97/69/502559769.db2.gz KRJBOOAXAHNOSD-HNNXBMFYSA-N 1 1 365.275 3.125 20 30 FGEDMO CN1CCN(c2cccc(Cl)c2C[NH2+]CCc2cccc(C#N)c2)CC1 ZINC000466412485 502563065 /nfs/dbraw/zinc/56/30/65/502563065.db2.gz QYRJEWHVCLGBKG-UHFFFAOYSA-N 1 1 368.912 3.296 20 30 FGEDMO C=CCCCCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000473311221 502564671 /nfs/dbraw/zinc/56/46/71/502564671.db2.gz SEWRINICBPDAPX-MRXNPFEDSA-N 1 1 357.498 3.458 20 30 FGEDMO C[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@H]1C ZINC000462927836 502629878 /nfs/dbraw/zinc/62/98/78/502629878.db2.gz IFSKJPODMSZMPH-KGLIPLIRSA-N 1 1 353.426 3.111 20 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/nfs/dbraw/zinc/33/11/08/506331108.db2.gz FRUBAEQYHLEGIL-MSOLQXFVSA-N 1 1 368.481 3.224 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000470331029 502738117 /nfs/dbraw/zinc/73/81/17/502738117.db2.gz UGOSFLFPJJPTEB-QFIPXVFZSA-N 1 1 364.445 3.129 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000470331029 502738120 /nfs/dbraw/zinc/73/81/20/502738120.db2.gz UGOSFLFPJJPTEB-QFIPXVFZSA-N 1 1 364.445 3.129 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)CSc1ccc(C#N)cc1)[NH+](C)C ZINC000484914139 502774327 /nfs/dbraw/zinc/77/43/27/502774327.db2.gz DAZPDWAUOQHSHI-SFHVURJKSA-N 1 1 369.490 3.078 20 30 FGEDMO CC[N@@H+]1[C@H](C)CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C ZINC000602875155 506333613 /nfs/dbraw/zinc/33/36/13/506333613.db2.gz WXBAOHAZMSUMKR-BBWFWOEESA-N 1 1 374.554 3.434 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463430686 502799522 /nfs/dbraw/zinc/79/95/22/502799522.db2.gz ORKSHFXZFYUNBA-HXUWFJFHSA-N 1 1 365.473 3.408 20 30 FGEDMO C=CCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000474077336 502800721 /nfs/dbraw/zinc/80/07/21/502800721.db2.gz FSXBNVBRBFQWAK-VQTJNVASSA-N 1 1 364.578 3.321 20 30 FGEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000463444496 502808274 /nfs/dbraw/zinc/80/82/74/502808274.db2.gz SCNGWDMULKBIFT-JOCHJYFZSA-N 1 1 350.462 3.254 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000495443543 502838801 /nfs/dbraw/zinc/83/88/01/502838801.db2.gz COXSGRGDBNWXCC-UXHICEINSA-N 1 1 371.525 3.279 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000495443543 502838805 /nfs/dbraw/zinc/83/88/05/502838805.db2.gz COXSGRGDBNWXCC-UXHICEINSA-N 1 1 371.525 3.279 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000495455800 502841862 /nfs/dbraw/zinc/84/18/62/502841862.db2.gz SBLQBIBADBWTMK-SRCQZFHVSA-N 1 1 363.889 3.268 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000495455800 502841865 /nfs/dbraw/zinc/84/18/65/502841865.db2.gz SBLQBIBADBWTMK-SRCQZFHVSA-N 1 1 363.889 3.268 20 30 FGEDMO N#Cc1cccc(F)c1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000505307971 502886544 /nfs/dbraw/zinc/88/65/44/502886544.db2.gz LJLDXSGYMYUBHZ-SFHVURJKSA-N 1 1 351.425 3.021 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889577 506340040 /nfs/dbraw/zinc/34/00/40/506340040.db2.gz WXRCGTHHCXUGPW-MAUKXSAKSA-N 1 1 371.444 3.318 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889577 506340050 /nfs/dbraw/zinc/34/00/50/506340050.db2.gz WXRCGTHHCXUGPW-MAUKXSAKSA-N 1 1 371.444 3.318 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)CC2)c(Br)c1 ZINC000602894016 506341269 /nfs/dbraw/zinc/34/12/69/506341269.db2.gz WORUQKJSXVFMJD-OAHLLOKOSA-N 1 1 360.259 3.139 20 30 FGEDMO N#Cc1ccc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)nc1 ZINC000509532143 502927700 /nfs/dbraw/zinc/92/77/00/502927700.db2.gz IJPCEZJEKBALCQ-FCHUYYIVSA-N 1 1 354.457 3.455 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](n3ccnn3)CC2)c(Br)c1 ZINC000602894015 506342122 /nfs/dbraw/zinc/34/21/22/506342122.db2.gz WORUQKJSXVFMJD-HNNXBMFYSA-N 1 1 360.259 3.139 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2[C@@H](CO)CCC[C@@H]2C)c1C#N ZINC000501093306 502935875 /nfs/dbraw/zinc/93/58/75/502935875.db2.gz YRTLTTXXHNJQNG-KBXCAEBGSA-N 1 1 372.513 3.266 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)c1C#N ZINC000501093306 502935881 /nfs/dbraw/zinc/93/58/81/502935881.db2.gz YRTLTTXXHNJQNG-KBXCAEBGSA-N 1 1 372.513 3.266 20 30 FGEDMO Cc1[nH+]ccn1CCCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513444417 502940482 /nfs/dbraw/zinc/94/04/82/502940482.db2.gz NJKFCBSTHRLFDL-UHFFFAOYSA-N 1 1 374.444 3.462 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000489480040 502968605 /nfs/dbraw/zinc/96/86/05/502968605.db2.gz PCPDFCPMMVNGGE-ZWKOTPCHSA-N 1 1 358.482 3.408 20 30 FGEDMO N#Cc1cccc(F)c1CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000509799985 502987952 /nfs/dbraw/zinc/98/79/52/502987952.db2.gz SOCSKPSMTKAVPP-UHFFFAOYSA-N 1 1 369.465 3.427 20 30 FGEDMO C=CCCc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000505826000 502994463 /nfs/dbraw/zinc/99/44/63/502994463.db2.gz QZDAHWUSOVQTGJ-HDICACEKSA-N 1 1 371.525 3.228 20 30 FGEDMO N#Cc1cccc(F)c1CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000509839420 502994882 /nfs/dbraw/zinc/99/48/82/502994882.db2.gz MLUYSSPKPUGYFY-OAHLLOKOSA-N 1 1 371.481 3.330 20 30 FGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000505890523 503007041 /nfs/dbraw/zinc/00/70/41/503007041.db2.gz BZDFGVHHOKDJGS-UHFFFAOYSA-N 1 1 352.906 3.449 20 30 FGEDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907750 506346505 /nfs/dbraw/zinc/34/65/05/506346505.db2.gz VECLDMBHOGEPLF-UHFFFAOYSA-N 1 1 352.394 3.250 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(F)c1C#N ZINC000489699583 503014488 /nfs/dbraw/zinc/01/44/88/503014488.db2.gz HDUMLGHAHPATKJ-YWZLYKJASA-N 1 1 351.425 3.338 20 30 FGEDMO C=C(CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)c1ccccc1 ZINC000510002757 503028193 /nfs/dbraw/zinc/02/81/93/503028193.db2.gz WVWCUWAOROVEDZ-UHFFFAOYSA-N 1 1 371.868 3.170 20 30 FGEDMO CO[C@@H](C[NH+]1CCN(c2cc(C#N)ccn2)CC1)c1ccc(Cl)cc1 ZINC000513967740 503057222 /nfs/dbraw/zinc/05/72/22/503057222.db2.gz PFEMWYGZTNVERE-SFHVURJKSA-N 1 1 356.857 3.116 20 30 FGEDMO C=CCOc1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000506159028 503059502 /nfs/dbraw/zinc/05/95/02/503059502.db2.gz DOIUVUQJRWHAEY-UHFFFAOYSA-N 1 1 362.477 3.217 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCC2(C#N)CCCCC2)cc1 ZINC000599154867 506350022 /nfs/dbraw/zinc/35/00/22/506350022.db2.gz NVDIXPJRLRNLQX-GOSISDBHSA-N 1 1 370.497 3.043 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCC2(C#N)CCCCC2)cc1 ZINC000599154867 506350026 /nfs/dbraw/zinc/35/00/26/506350026.db2.gz NVDIXPJRLRNLQX-GOSISDBHSA-N 1 1 370.497 3.043 20 30 FGEDMO C=CCN(CC=C)c1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000514626279 503152214 /nfs/dbraw/zinc/15/22/14/503152214.db2.gz FTBKFLJOWKELCL-UHFFFAOYSA-N 1 1 374.510 3.416 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502328121 503180659 /nfs/dbraw/zinc/18/06/59/503180659.db2.gz PPPYTJOGPNEYJW-QGZVFWFLSA-N 1 1 352.482 3.089 20 30 FGEDMO C[N@@H+](CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000502327496 503180812 /nfs/dbraw/zinc/18/08/12/503180812.db2.gz NSZWNRCYVTUJKW-UHFFFAOYSA-N 1 1 374.488 3.489 20 30 FGEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000506960760 503201731 /nfs/dbraw/zinc/20/17/31/503201731.db2.gz NGOVQDLYQZKQKD-KGLIPLIRSA-N 1 1 358.392 3.168 20 30 FGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000593046862 506358418 /nfs/dbraw/zinc/35/84/18/506358418.db2.gz UHJWPYOWOPDBOB-RBBKRZOGSA-N 1 1 368.452 3.295 20 30 FGEDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000502733546 503259818 /nfs/dbraw/zinc/25/98/18/503259818.db2.gz WVKZWBSQKYBXIC-UHFFFAOYSA-N 1 1 353.413 3.190 20 30 FGEDMO C=CC[N@H+](Cc1cccc(O)c1OC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000491194511 503284288 /nfs/dbraw/zinc/28/42/88/503284288.db2.gz NTFRSJBUXSZEKI-HNNXBMFYSA-N 1 1 365.437 3.126 20 30 FGEDMO C[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000582682934 506363318 /nfs/dbraw/zinc/36/33/18/506363318.db2.gz HKIVUBWHRZQZND-GUYCJALGSA-N 1 1 351.410 3.124 20 30 FGEDMO CC(C)(CCC#N)CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000502910079 503305527 /nfs/dbraw/zinc/30/55/27/503305527.db2.gz ABEOMMRGGCRSJS-GOSISDBHSA-N 1 1 374.554 3.233 20 30 FGEDMO CC(C)(CCC#N)CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000502910079 503305531 /nfs/dbraw/zinc/30/55/31/503305531.db2.gz ABEOMMRGGCRSJS-GOSISDBHSA-N 1 1 374.554 3.233 20 30 FGEDMO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(Cc4nccs4)CC3)C2=O)cc1 ZINC000602957370 506364938 /nfs/dbraw/zinc/36/49/38/506364938.db2.gz ULFIYOWXQOMJAC-GOSISDBHSA-N 1 1 366.490 3.075 20 30 FGEDMO COC(=O)c1cccc(C[N@H+](C)CCCOCc2ccccc2)c1C#N ZINC000515494517 503350993 /nfs/dbraw/zinc/35/09/93/503350993.db2.gz GKDMHYWIUHCLKN-UHFFFAOYSA-N 1 1 352.434 3.384 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+](C)CCCOCc2ccccc2)c1C#N ZINC000515494517 503350998 /nfs/dbraw/zinc/35/09/98/503350998.db2.gz GKDMHYWIUHCLKN-UHFFFAOYSA-N 1 1 352.434 3.384 20 30 FGEDMO N#Cc1csc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000492330858 503365089 /nfs/dbraw/zinc/36/50/89/503365089.db2.gz BOZHDWUAWMWZNG-CQSZACIVSA-N 1 1 355.232 3.345 20 30 FGEDMO CC(=O)NCC[N@@H+](CCCCC#N)Cc1ccc(Br)s1 ZINC000503217059 503369936 /nfs/dbraw/zinc/36/99/36/503369936.db2.gz NHKQGRUXQLOOJK-UHFFFAOYSA-N 1 1 358.305 3.143 20 30 FGEDMO C=CCn1c(SCCC[NH+]2CCOCC2)nnc1-c1ccc(F)cc1 ZINC000503249898 503376487 /nfs/dbraw/zinc/37/64/87/503376487.db2.gz FOJHIOIMHZECEG-UHFFFAOYSA-N 1 1 362.474 3.085 20 30 FGEDMO N#Cc1c(F)cccc1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000593068001 506371111 /nfs/dbraw/zinc/37/11/11/506371111.db2.gz OGEGRVVEFNDRBY-VXKWHMMOSA-N 1 1 365.452 3.173 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980800 506371691 /nfs/dbraw/zinc/37/16/91/506371691.db2.gz VVOXJZNFLIFXCE-PKOBYXMFSA-N 1 1 365.481 3.442 20 30 FGEDMO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493919763 503459042 /nfs/dbraw/zinc/45/90/42/503459042.db2.gz JNETUSHRDKAHPP-PXAZEXFGSA-N 1 1 361.804 3.367 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493919763 503459044 /nfs/dbraw/zinc/45/90/44/503459044.db2.gz JNETUSHRDKAHPP-PXAZEXFGSA-N 1 1 361.804 3.367 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000508377726 503484780 /nfs/dbraw/zinc/48/47/80/503484780.db2.gz USLNWWILDCEVHC-VQTJNVASSA-N 1 1 354.498 3.353 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCS[C@@H](C)CC2)cc1 ZINC000494116373 503490598 /nfs/dbraw/zinc/49/05/98/503490598.db2.gz LFVXTDCBDUMSFD-INIZCTEOSA-N 1 1 361.511 3.159 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCS[C@@H](C)CC2)cc1 ZINC000494116373 503490600 /nfs/dbraw/zinc/49/06/00/503490600.db2.gz LFVXTDCBDUMSFD-INIZCTEOSA-N 1 1 361.511 3.159 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cc(C(N)=O)co2)c1 ZINC000494459702 503544622 /nfs/dbraw/zinc/54/46/22/503544622.db2.gz YHYNUQIZTBPLGR-UHFFFAOYSA-N 1 1 361.401 3.119 20 30 FGEDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H]1C ZINC000500122735 503559676 /nfs/dbraw/zinc/55/96/76/503559676.db2.gz PBSSVQFWSGLIIE-HOTGVXAUSA-N 1 1 367.449 3.285 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H]1C ZINC000500122735 503559681 /nfs/dbraw/zinc/55/96/81/503559681.db2.gz PBSSVQFWSGLIIE-HOTGVXAUSA-N 1 1 367.449 3.285 20 30 FGEDMO C=CCOc1ccc(C[N@@H+](C)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000508814445 503568762 /nfs/dbraw/zinc/56/87/62/503568762.db2.gz VXTXRPFSOYKKEY-UHFFFAOYSA-N 1 1 364.445 3.370 20 30 FGEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508825803 503571896 /nfs/dbraw/zinc/57/18/96/503571896.db2.gz GFGOXOWVQHWHRG-OGWHTMIXSA-N 1 1 371.529 3.015 20 30 FGEDMO C=CCn1c(-c2ccoc2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000508834188 503573477 /nfs/dbraw/zinc/57/34/77/503573477.db2.gz SNCOXDYBPKHZQH-CRAIPNDOSA-N 1 1 353.470 3.177 20 30 FGEDMO C=CCn1c(C2CCC2)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000508902888 503595316 /nfs/dbraw/zinc/59/53/16/503595316.db2.gz MEQBGPWQXYOSPM-UHFFFAOYSA-N 1 1 355.461 3.193 20 30 FGEDMO C=CCn1c(-c2cccn2C)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000508929195 503601951 /nfs/dbraw/zinc/60/19/51/503601951.db2.gz GNDAFCNGEWSDQP-UHFFFAOYSA-N 1 1 370.545 3.418 20 30 FGEDMO CCC[N@@H+](CC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494832794 503618773 /nfs/dbraw/zinc/61/87/73/503618773.db2.gz KXMYGLNQHGTPOH-INIZCTEOSA-N 1 1 372.513 3.088 20 30 FGEDMO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512805556 503635972 /nfs/dbraw/zinc/63/59/72/503635972.db2.gz IPNSEYNZSBWVFH-GJZGRUSLSA-N 1 1 361.461 3.234 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1nc(-c2ccccc2)cs1 ZINC000527050033 503659870 /nfs/dbraw/zinc/65/98/70/503659870.db2.gz CNKYONBEJVQQQS-UONOGXRCSA-N 1 1 354.479 3.412 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000533080233 503724167 /nfs/dbraw/zinc/72/41/67/503724167.db2.gz GJEYAHACNBOJGK-CEXWTWQISA-N 1 1 355.482 3.070 20 30 FGEDMO C=CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)cc1 ZINC000529838689 503729911 /nfs/dbraw/zinc/72/99/11/503729911.db2.gz WSVKFLQXFWDNJW-IBGZPJMESA-N 1 1 366.461 3.264 20 30 FGEDMO C=CCOc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)cc1 ZINC000529838689 503729918 /nfs/dbraw/zinc/72/99/18/503729918.db2.gz WSVKFLQXFWDNJW-IBGZPJMESA-N 1 1 366.461 3.264 20 30 FGEDMO Cc1ccccc1[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000533148910 503744442 /nfs/dbraw/zinc/74/44/42/503744442.db2.gz PHGJEZTVMNHJQQ-SFHVURJKSA-N 1 1 354.475 3.130 20 30 FGEDMO Cc1ccccc1[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000533148910 503744448 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C=CC[N@@H+](Cc1ccc(F)cc1C#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518751943 504054851 /nfs/dbraw/zinc/05/48/51/504054851.db2.gz APWVAPBUPIIUFG-OAHLLOKOSA-N 1 1 362.412 3.422 20 30 FGEDMO CCN(C(=O)Cc1ccc(C#N)nc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000528126288 504083357 /nfs/dbraw/zinc/08/33/57/504083357.db2.gz GNTGXJDGHLWMQM-UTKZUKDTSA-N 1 1 362.477 3.180 20 30 FGEDMO C[N@H+]1C[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000534291043 504098479 /nfs/dbraw/zinc/09/84/79/504098479.db2.gz RVWMCQGBMXMSFX-WOJBJXKFSA-N 1 1 365.502 3.005 20 30 FGEDMO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000538150367 504147135 /nfs/dbraw/zinc/14/71/35/504147135.db2.gz IZQXUDGADPKTSZ-MJGOQNOKSA-N 1 1 368.481 3.172 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)o2)c1 ZINC000538191395 504156974 /nfs/dbraw/zinc/15/69/74/504156974.db2.gz SXJOZJLVPNUOIY-UYAOXDASSA-N 1 1 360.417 3.476 20 30 FGEDMO COC(=O)c1cccc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C#N ZINC000541599460 504194454 /nfs/dbraw/zinc/19/44/54/504194454.db2.gz NCPXDYAXJFGYTF-NVXWUHKLSA-N 1 1 355.482 3.087 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000547838007 504244076 /nfs/dbraw/zinc/24/40/76/504244076.db2.gz PWQZWCBRYSVEPF-JTHBVZDNSA-N 1 1 373.456 3.185 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000547838007 504244079 /nfs/dbraw/zinc/24/40/79/504244079.db2.gz PWQZWCBRYSVEPF-JTHBVZDNSA-N 1 1 373.456 3.185 20 30 FGEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)CC(F)(F)C[NH3+] ZINC000519551151 504249812 /nfs/dbraw/zinc/24/98/12/504249812.db2.gz ZISPMRRPPUKYHF-UHFFFAOYSA-N 1 1 365.193 3.087 20 30 FGEDMO CC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000544776687 504254111 /nfs/dbraw/zinc/25/41/11/504254111.db2.gz HQRXRGYRRCVEQW-NRFANRHFSA-N 1 1 362.477 3.364 20 30 FGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528534056 504263876 /nfs/dbraw/zinc/26/38/76/504263876.db2.gz LOGFGFVKQOTWJD-TZIWHRDSSA-N 1 1 354.425 3.101 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528572930 504277110 /nfs/dbraw/zinc/27/71/10/504277110.db2.gz KJMRVEZIJQOHGZ-MRXNPFEDSA-N 1 1 373.472 3.400 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000531483094 504324106 /nfs/dbraw/zinc/32/41/06/504324106.db2.gz KSQWBYQAKHAULV-MRXNPFEDSA-N 1 1 367.415 3.086 20 30 FGEDMO C=CC[N@@H+](Cc1cccc2c[nH]nc21)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732431 504348899 /nfs/dbraw/zinc/34/88/99/504348899.db2.gz MGGSZVGEFDVWMB-HNNXBMFYSA-N 1 1 359.437 3.288 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)c(O)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538733450 504349214 /nfs/dbraw/zinc/34/92/14/504349214.db2.gz RZWBKXFLPAWDCG-HNNXBMFYSA-N 1 1 365.437 3.126 20 30 FGEDMO C=CCOc1ccc(CNC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000520208414 504435991 /nfs/dbraw/zinc/43/59/91/504435991.db2.gz SPQWEVREINRDSA-QGZVFWFLSA-N 1 1 352.906 3.351 20 30 FGEDMO C=CCOc1ccc(CNC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000520208414 504435998 /nfs/dbraw/zinc/43/59/98/504435998.db2.gz SPQWEVREINRDSA-QGZVFWFLSA-N 1 1 352.906 3.351 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000528942726 504462325 /nfs/dbraw/zinc/46/23/25/504462325.db2.gz AETDBUQMCBOWCV-SFHVURJKSA-N 1 1 364.449 3.271 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000528942726 504462328 /nfs/dbraw/zinc/46/23/28/504462328.db2.gz AETDBUQMCBOWCV-SFHVURJKSA-N 1 1 364.449 3.271 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2cc(C)cc(C#N)c2)cc1 ZINC000529116403 504541298 /nfs/dbraw/zinc/54/12/98/504541298.db2.gz HOHAEHVZAIXURX-IBGZPJMESA-N 1 1 364.449 3.271 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2cc(C)cc(C#N)c2)cc1 ZINC000529116403 504541303 /nfs/dbraw/zinc/54/13/03/504541303.db2.gz HOHAEHVZAIXURX-IBGZPJMESA-N 1 1 364.449 3.271 20 30 FGEDMO CCOC(=O)c1sc([C@@H](C)[NH2+]CCOc2cccc(C#N)c2)nc1C ZINC000542609960 504551212 /nfs/dbraw/zinc/55/12/12/504551212.db2.gz GHDAVUAWJKWGBG-CYBMUJFWSA-N 1 1 359.451 3.230 20 30 FGEDMO CC(=O)NCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C)s1 ZINC000548924970 504622683 /nfs/dbraw/zinc/62/26/83/504622683.db2.gz YMDHQLQKWWNAJH-UHFFFAOYSA-N 1 1 363.527 3.095 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000521058283 504639004 /nfs/dbraw/zinc/63/90/04/504639004.db2.gz GAAIMCSVTSHJPT-KSSFIOAISA-N 1 1 352.413 3.482 20 30 FGEDMO C=CCN1CC[C@@H]([NH2+][C@@H](c2ccc(OC)cc2)c2ccccc2OC)C1=O ZINC000539711415 504662662 /nfs/dbraw/zinc/66/26/62/504662662.db2.gz MXXIBWOAJMUPHR-CTNGQTDRSA-N 1 1 366.461 3.170 20 30 FGEDMO CC(=O)NCC[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCSCC1 ZINC000549081917 504679081 /nfs/dbraw/zinc/67/90/81/504679081.db2.gz HODTYULNTBDBAE-UHFFFAOYSA-N 1 1 359.539 3.321 20 30 FGEDMO N#CC1(CS(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CCCC1 ZINC000546065431 504696276 /nfs/dbraw/zinc/69/62/76/504696276.db2.gz FUHJEWDPVVSXPE-SFHVURJKSA-N 1 1 367.559 3.034 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000521263942 504696726 /nfs/dbraw/zinc/69/67/26/504696726.db2.gz RFHGUOKEEGJNBP-MJQMVNBJSA-N 1 1 355.482 3.189 20 30 FGEDMO C[C@H](O)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000532579661 504699358 /nfs/dbraw/zinc/69/93/58/504699358.db2.gz YLDCXPBQAOAOAH-HNNXBMFYSA-N 1 1 371.868 3.423 20 30 FGEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000539832941 504709170 /nfs/dbraw/zinc/70/91/70/504709170.db2.gz DSHRVEPRNFWBFL-IBGZPJMESA-N 1 1 355.482 3.204 20 30 FGEDMO Cc1cc(C)cc([C@H]2CC[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)c1 ZINC000543126687 504735071 /nfs/dbraw/zinc/73/50/71/504735071.db2.gz ZJALRDXKVULJGE-GHTZIAJQSA-N 1 1 373.456 3.297 20 30 FGEDMO Cc1nc2sccn2c1C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000532723882 504745169 /nfs/dbraw/zinc/74/51/69/504745169.db2.gz CUQHYIJOOTYBJB-UHFFFAOYSA-N 1 1 359.480 3.098 20 30 FGEDMO C[C@H](C#N)CN(C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C1CC1 ZINC000532817887 504763641 /nfs/dbraw/zinc/76/36/41/504763641.db2.gz LBDPZPYCMRRSPE-CVEARBPZSA-N 1 1 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N#Cc1cccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1 ZINC000589303403 506510264 /nfs/dbraw/zinc/51/02/64/506510264.db2.gz JZTMFGAYGYUVMY-GOSISDBHSA-N 1 1 354.841 3.174 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599587503 506512753 /nfs/dbraw/zinc/51/27/53/506512753.db2.gz MPJHDBGXABQCHE-DOTOQJQBSA-N 1 1 374.481 3.245 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599587540 506514223 /nfs/dbraw/zinc/51/42/23/506514223.db2.gz FECGKZUZFDBYNZ-VKJFTORMSA-N 1 1 371.481 3.185 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599587540 506514227 /nfs/dbraw/zinc/51/42/27/506514227.db2.gz FECGKZUZFDBYNZ-VKJFTORMSA-N 1 1 371.481 3.185 20 30 FGEDMO CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000596678298 506527860 /nfs/dbraw/zinc/52/78/60/506527860.db2.gz NIHNIUZGZFXSIT-KRWDZBQOSA-N 1 1 365.437 3.351 20 30 FGEDMO N#Cc1cccc2c1CN(C(=O)NC[C@H]1CC[N@@H+](CCc3ccccc3)C1)C2 ZINC000593344439 506559804 /nfs/dbraw/zinc/55/98/04/506559804.db2.gz UDBCFLAXYDYCHI-LJQANCHMSA-N 1 1 374.488 3.148 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3sccc3C#N)cc2)C[C@H](C)O1 ZINC000603577423 506562743 /nfs/dbraw/zinc/56/27/43/506562743.db2.gz GLEMLJKOZHYCJY-OKILXGFUSA-N 1 1 355.463 3.481 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3sccc3C#N)cc2)C[C@H](C)O1 ZINC000603577423 506562747 /nfs/dbraw/zinc/56/27/47/506562747.db2.gz GLEMLJKOZHYCJY-OKILXGFUSA-N 1 1 355.463 3.481 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000612432462 506576538 /nfs/dbraw/zinc/57/65/38/506576538.db2.gz UEJHNZCWJXGUGL-GDBMZVCRSA-N 1 1 368.868 3.498 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000612432470 506577149 /nfs/dbraw/zinc/57/71/49/506577149.db2.gz UEJHNZCWJXGUGL-ZBFHGGJFSA-N 1 1 368.868 3.498 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593370278 506580304 /nfs/dbraw/zinc/58/03/04/506580304.db2.gz KNVDNTKKSHRURX-VGOFRKELSA-N 1 1 374.488 3.494 20 30 FGEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3c(C#N)cnc4ccccc43)c2)CCO1 ZINC000589566344 506588981 /nfs/dbraw/zinc/58/89/81/506588981.db2.gz DZKAKBDWSVRNDH-KRWDZBQOSA-N 1 1 372.472 3.361 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3c(C#N)cnc4ccccc43)c2)CCO1 ZINC000589566344 506588983 /nfs/dbraw/zinc/58/89/83/506588983.db2.gz DZKAKBDWSVRNDH-KRWDZBQOSA-N 1 1 372.472 3.361 20 30 FGEDMO COCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC(C)C ZINC000603683229 506594012 /nfs/dbraw/zinc/59/40/12/506594012.db2.gz BSCLIHQLEXWXMI-UHFFFAOYSA-N 1 1 351.878 3.191 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC1(C#N)CCCC1 ZINC000593428281 506614891 /nfs/dbraw/zinc/61/48/91/506614891.db2.gz VQRDRXPWCDGFQP-IBGZPJMESA-N 1 1 369.513 3.161 20 30 FGEDMO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000589637752 506615815 /nfs/dbraw/zinc/61/58/15/506615815.db2.gz UYYCMPLQGLAOMV-YJBOKZPZSA-N 1 1 352.486 3.003 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000583159545 506621211 /nfs/dbraw/zinc/62/12/11/506621211.db2.gz DKFSJLICEBXDAL-OAQYLSRUSA-N 1 1 350.462 3.185 20 30 FGEDMO CCN1C[C@@H](C[N@@H+](C)CCOc2cccc(C#N)c2)Oc2ccccc21 ZINC000603845283 506632024 /nfs/dbraw/zinc/63/20/24/506632024.db2.gz DHBYEZSLIZNBRX-LJQANCHMSA-N 1 1 351.450 3.156 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000603857666 506639363 /nfs/dbraw/zinc/63/93/63/506639363.db2.gz NZCHHHHODYEWNF-UHFFFAOYSA-N 1 1 358.269 3.216 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000603857666 506639368 /nfs/dbraw/zinc/63/93/68/506639368.db2.gz NZCHHHHODYEWNF-UHFFFAOYSA-N 1 1 358.269 3.216 20 30 FGEDMO N#CC1(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCCC1 ZINC000596863035 506643699 /nfs/dbraw/zinc/64/36/99/506643699.db2.gz IRONWFXNBCJTFN-BGYRXZFFSA-N 1 1 366.509 3.234 20 30 FGEDMO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000603878280 506644492 /nfs/dbraw/zinc/64/44/92/506644492.db2.gz MUJFWKZNTBZLCX-AZUAARDMSA-N 1 1 368.525 3.250 20 30 FGEDMO COc1ccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2)cc1 ZINC000603901493 506653927 /nfs/dbraw/zinc/65/39/27/506653927.db2.gz ULLQLYOIGOKRGX-VXKWHMMOSA-N 1 1 365.477 3.429 20 30 FGEDMO COc1cc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c(F)cc1C#N ZINC000599818509 506655410 /nfs/dbraw/zinc/65/54/10/506655410.db2.gz ZJQRVGYPRLETAZ-AWEZNQCLSA-N 1 1 370.428 3.348 20 30 FGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccsc1C#N)c1ccsc1 ZINC000593529128 506671473 /nfs/dbraw/zinc/67/14/73/506671473.db2.gz WIZJZQUHHFTMLP-ZDUSSCGKSA-N 1 1 369.537 3.043 20 30 FGEDMO Cc1ccc(F)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000608902319 506740570 /nfs/dbraw/zinc/74/05/70/506740570.db2.gz JVIAPSUGXBOGDJ-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO Cc1ccc(F)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000608902319 506740574 /nfs/dbraw/zinc/74/05/74/506740574.db2.gz JVIAPSUGXBOGDJ-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO Cc1ccc(-c2noc([C@H](C)N3CC[NH+]([C@@H]4CC[C@H](C#N)C4)CC3)n2)cc1 ZINC000590154132 506751682 /nfs/dbraw/zinc/75/16/82/506751682.db2.gz BEJFEEVEWXGDOE-JENIJYKNSA-N 1 1 365.481 3.416 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000583415596 506766616 /nfs/dbraw/zinc/76/66/16/506766616.db2.gz VNQJQARDMVNUNU-QGZVFWFLSA-N 1 1 364.449 3.017 20 30 FGEDMO CCCN(CC(=O)N(CC)CCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000609101897 506776377 /nfs/dbraw/zinc/77/63/77/506776377.db2.gz DJJKKHJQUFEIEM-NRFANRHFSA-N 1 1 370.541 3.125 20 30 FGEDMO CCC[N@H+](CC(=O)N(CC)CCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000609101897 506776381 /nfs/dbraw/zinc/77/63/81/506776381.db2.gz DJJKKHJQUFEIEM-NRFANRHFSA-N 1 1 370.541 3.125 20 30 FGEDMO CCC[N@@H+](CC(=O)N(CC)CCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000609101897 506776385 /nfs/dbraw/zinc/77/63/85/506776385.db2.gz DJJKKHJQUFEIEM-NRFANRHFSA-N 1 1 370.541 3.125 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609108655 506777659 /nfs/dbraw/zinc/77/76/59/506777659.db2.gz JKTYAJHLKCTNIV-NQIIRXRSSA-N 1 1 368.525 3.298 20 30 FGEDMO C[N@@H+](CCNC(=O)c1ccc(COc2ccccc2C#N)o1)C1CCCC1 ZINC000609190171 506807136 /nfs/dbraw/zinc/80/71/36/506807136.db2.gz PHKHUCCIFNDEGQ-UHFFFAOYSA-N 1 1 367.449 3.334 20 30 FGEDMO COc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000604494655 506851439 /nfs/dbraw/zinc/85/14/39/506851439.db2.gz QWDJMNCELHLABD-HXUWFJFHSA-N 1 1 368.477 3.465 20 30 FGEDMO C=CCc1cc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)cc(OC)c1O ZINC000600215868 506853121 /nfs/dbraw/zinc/85/31/21/506853121.db2.gz RFIJGIVBVLZXFW-IBGZPJMESA-N 1 1 367.445 3.402 20 30 FGEDMO C=CCc1cc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)OC)C2)cc(OC)c1O ZINC000600215868 506853124 /nfs/dbraw/zinc/85/31/24/506853124.db2.gz RFIJGIVBVLZXFW-IBGZPJMESA-N 1 1 367.445 3.402 20 30 FGEDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594036187 506899125 /nfs/dbraw/zinc/89/91/25/506899125.db2.gz ZIULSLCLKDRLQZ-UHFFFAOYSA-N 1 1 365.389 3.422 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)C[C@H]1C ZINC000597427655 506949403 /nfs/dbraw/zinc/94/94/03/506949403.db2.gz WXVKHZCCYIRDCG-CVEARBPZSA-N 1 1 364.497 3.146 20 30 FGEDMO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)c2)c1 ZINC000609660724 506965470 /nfs/dbraw/zinc/96/54/70/506965470.db2.gz OWDOMQJCWRTADS-LJQANCHMSA-N 1 1 361.445 3.104 20 30 FGEDMO N#CC1(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000597497248 506980588 /nfs/dbraw/zinc/98/05/88/506980588.db2.gz DHGRDBLMSGUGIO-HXUWFJFHSA-N 1 1 369.509 3.124 20 30 FGEDMO N#Cc1c(F)cc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000597589746 507022502 /nfs/dbraw/zinc/02/25/02/507022502.db2.gz XHVXFJMNUFYSOD-CALCHBBNSA-N 1 1 367.399 3.040 20 30 FGEDMO CC(C)C[C@H](CNc1ccc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000609849469 507023363 /nfs/dbraw/zinc/02/33/63/507023363.db2.gz GDONCRSYXRBKEY-MRXNPFEDSA-N 1 1 366.303 3.480 20 30 FGEDMO C[C@H](NC(=O)N1Cc2ccc(C#N)cc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594248475 507041950 /nfs/dbraw/zinc/04/19/50/507041950.db2.gz MBSQJXAJRQISPG-PXNSSMCTSA-N 1 1 374.488 3.494 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609920397 507050411 /nfs/dbraw/zinc/05/04/11/507050411.db2.gz JOJONJPKGYFILY-FQEVSTJZSA-N 1 1 354.498 3.210 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000594302113 507070035 /nfs/dbraw/zinc/07/00/35/507070035.db2.gz CWBCWZCIQOSKGA-PGRDOPGGSA-N 1 1 361.489 3.470 20 30 FGEDMO C[C@H](CC#N)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000597777309 507097226 /nfs/dbraw/zinc/09/72/26/507097226.db2.gz DQRLUMINUAUBNI-CYBMUJFWSA-N 1 1 364.287 3.079 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000610134162 507112170 /nfs/dbraw/zinc/11/21/70/507112170.db2.gz RQXVYLXIEZUZLT-MOPGFXCFSA-N 1 1 357.498 3.090 20 30 FGEDMO C=CC1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 ZINC000600797750 507127500 /nfs/dbraw/zinc/12/75/00/507127500.db2.gz 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COc1cc(OC)c2ncc(C#N)c(N[C@@H]3CC[N@@H+](CC4CC4)C3)c2c1 ZINC000587973672 507721263 /nfs/dbraw/zinc/72/12/63/507721263.db2.gz KQROEJBSHKPLDX-OAHLLOKOSA-N 1 1 352.438 3.020 20 30 FGEDMO CC[C@@H](Nc1cc(C#N)cc(C)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000587999648 507730252 /nfs/dbraw/zinc/73/02/52/507730252.db2.gz ADTRAUPBJAXIJP-WOJBJXKFSA-N 1 1 350.466 3.353 20 30 FGEDMO CC[C@@H](Nc1cc(C#N)cc(C)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000587999648 507730258 /nfs/dbraw/zinc/73/02/58/507730258.db2.gz ADTRAUPBJAXIJP-WOJBJXKFSA-N 1 1 350.466 3.353 20 30 FGEDMO Cc1cccc(C[C@]2(C)CCC[N@H+]2C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000602992859 568040393 /nfs/dbraw/zinc/04/03/93/568040393.db2.gz ICZZXFOLZLBVIX-SFTDATJTSA-N 1 1 356.510 3.463 20 30 FGEDMO C[C@@H]1C[C@@H]([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000828183608 601229030 /nfs/dbraw/zinc/22/90/30/601229030.db2.gz JNEWFJVMJNROOL-CZAAIQMYSA-N 1 1 363.461 3.327 20 30 FGEDMO C[C@@H]1C[C@@H]([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000828183608 601229031 /nfs/dbraw/zinc/22/90/31/601229031.db2.gz JNEWFJVMJNROOL-CZAAIQMYSA-N 1 1 363.461 3.327 20 30 FGEDMO C[C@@H](CC[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000827412161 601306426 /nfs/dbraw/zinc/30/64/26/601306426.db2.gz GTYDZTCAGLEHEM-JXFKEZNVSA-N 1 1 351.450 3.184 20 30 FGEDMO C[C@@H](CC[NH2+][C@H](C(=O)[O-])c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000827412161 601306428 /nfs/dbraw/zinc/30/64/28/601306428.db2.gz GTYDZTCAGLEHEM-JXFKEZNVSA-N 1 1 351.450 3.184 20 30 FGEDMO C[C@H](CC[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000827412925 601348226 /nfs/dbraw/zinc/34/82/26/601348226.db2.gz VCOSWXAXXOEXSV-OXQOHEQNSA-N 1 1 351.450 3.184 20 30 FGEDMO C[C@H](CC[NH2+][C@@H](C(=O)[O-])c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000827412925 601348228 /nfs/dbraw/zinc/34/82/28/601348228.db2.gz VCOSWXAXXOEXSV-OXQOHEQNSA-N 1 1 351.450 3.184 20 30 FGEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(OC)c1OC ZINC000823915519 608633303 /nfs/dbraw/zinc/63/33/03/608633303.db2.gz YYXOKMLIAIAZIZ-UHFFFAOYSA-N 1 1 365.437 3.072 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(OC)c1OC ZINC000823915519 608633304 /nfs/dbraw/zinc/63/33/04/608633304.db2.gz YYXOKMLIAIAZIZ-UHFFFAOYSA-N 1 1 365.437 3.072 20 30 FGEDMO Oc1ccc2ccccc2c1/C=N\C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000032070129 695741562 /nfs/dbraw/zinc/74/15/62/695741562.db2.gz ZOJBWMQOKXZHIV-GAASDFDMSA-N 1 1 356.491 3.172 20 30 FGEDMO C#CC[NH+]1CCN(Cn2ccn(-c3cccc(Cl)c3C)c2=S)CC1 ZINC000044756618 695812030 /nfs/dbraw/zinc/81/20/30/695812030.db2.gz DJOKRFVRCXTKFM-UHFFFAOYSA-N 1 1 360.914 3.178 20 30 FGEDMO C#CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000117955435 700606509 /nfs/dbraw/zinc/60/65/09/700606509.db2.gz JGCYFOKRMPWPKO-HOCLYGCPSA-N 1 1 353.388 3.021 20 30 FGEDMO N#Cc1ccc([C@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000126656611 700751208 /nfs/dbraw/zinc/75/12/08/700751208.db2.gz VTZVOZOXHZSWLU-HXUWFJFHSA-N 1 1 355.869 3.063 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@H](O)c1ccc(C)cc1 ZINC000174282016 705496071 /nfs/dbraw/zinc/49/60/71/705496071.db2.gz AWOQVBDZZZETEV-KRWDZBQOSA-N 1 1 357.479 3.312 20 30 FGEDMO C=CC[N@@H+](CCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000177716269 705636453 /nfs/dbraw/zinc/63/64/53/705636453.db2.gz SMLTVVQAKBCYJB-MRXNPFEDSA-N 1 1 361.429 3.313 20 30 FGEDMO C=CC[N@H+](CCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000177716269 705636456 /nfs/dbraw/zinc/63/64/56/705636456.db2.gz SMLTVVQAKBCYJB-MRXNPFEDSA-N 1 1 361.429 3.313 20 30 FGEDMO C[C@@H](CNC(=O)/C=C\c1ccccc1C#N)[N@H+]1CCc2sccc2C1 ZINC000255002323 713679891 /nfs/dbraw/zinc/67/98/91/713679891.db2.gz NVYCHGAKDZNZDG-XHPSBEMXSA-N 1 1 351.475 3.196 20 30 FGEDMO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Cl)sc1Cl ZINC000255343131 713692289 /nfs/dbraw/zinc/69/22/89/713692289.db2.gz VRZXPTSSDQKVKR-OUVQVPGASA-N 1 1 360.266 3.232 20 30 FGEDMO CCS[C@@H]1CCCC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000329259636 713828503 /nfs/dbraw/zinc/82/85/03/713828503.db2.gz YRBYJUVJHCTXTH-JKSUJKDBSA-N 1 1 364.511 3.391 20 30 FGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000329303269 713828944 /nfs/dbraw/zinc/82/89/44/713828944.db2.gz XFBPFVIGSAVKPP-SJORKVTESA-N 1 1 367.559 3.299 20 30 FGEDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)nnn1-c1ccccc1Cl ZINC000329383362 713829286 /nfs/dbraw/zinc/82/92/86/713829286.db2.gz ONYPQIOFMPSDIH-ZDUSSCGKSA-N 1 1 359.861 3.018 20 30 FGEDMO C=CCOc1c(Br)cc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414909072 714005568 /nfs/dbraw/zinc/00/55/68/714005568.db2.gz BVZJGXWYWLPTKW-UONOGXRCSA-N 1 1 369.303 3.382 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000426455028 714018733 /nfs/dbraw/zinc/01/87/33/714018733.db2.gz SDJJWAMCVHRJIJ-JKSUJKDBSA-N 1 1 352.841 3.216 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000426455028 714018738 /nfs/dbraw/zinc/01/87/38/714018738.db2.gz SDJJWAMCVHRJIJ-JKSUJKDBSA-N 1 1 352.841 3.216 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000523439232 714234342 /nfs/dbraw/zinc/23/43/42/714234342.db2.gz OUGCDZIJZWKKEY-QGZVFWFLSA-N 1 1 361.555 3.017 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)CCC1 ZINC000525885827 714385880 /nfs/dbraw/zinc/38/58/80/714385880.db2.gz KXYCMNGAAUBTEV-UHFFFAOYSA-N 1 1 354.479 3.038 20 30 FGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000615806914 714550521 /nfs/dbraw/zinc/55/05/21/714550521.db2.gz RJNBCNVXKYLUIP-ZBFHGGJFSA-N 1 1 356.388 3.155 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(NC[C@H](C)[NH+]3CCN(C)CC3)c2c1 ZINC000619792246 714871407 /nfs/dbraw/zinc/87/14/07/714871407.db2.gz JKTHMFIXCYWKRS-AWEZNQCLSA-N 1 1 357.889 3.116 20 30 FGEDMO C[N@H+](CCO)Cc1cc(NC(=O)c2cccc(CC#N)c2)ccc1Cl ZINC000619867327 714875835 /nfs/dbraw/zinc/87/58/35/714875835.db2.gz SURHJNLBRUGQOR-UHFFFAOYSA-N 1 1 357.841 3.082 20 30 FGEDMO C[N@@H+](CCO)Cc1cc(NC(=O)c2cccc(CC#N)c2)ccc1Cl ZINC000619867327 714875838 /nfs/dbraw/zinc/87/58/38/714875838.db2.gz SURHJNLBRUGQOR-UHFFFAOYSA-N 1 1 357.841 3.082 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1OC ZINC000628313402 716138089 /nfs/dbraw/zinc/13/80/89/716138089.db2.gz NVCAQEFZRLVJGV-OAHLLOKOSA-N 1 1 366.889 3.402 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1OC ZINC000628319133 716138607 /nfs/dbraw/zinc/13/86/07/716138607.db2.gz NGKCCGCGBKZZOM-HNNXBMFYSA-N 1 1 362.861 3.342 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)cc1OC ZINC000628319133 716138609 /nfs/dbraw/zinc/13/86/09/716138609.db2.gz NGKCCGCGBKZZOM-HNNXBMFYSA-N 1 1 362.861 3.342 20 30 FGEDMO C=CCCCS(=O)(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000644198185 718093691 /nfs/dbraw/zinc/09/36/91/718093691.db2.gz FRNZYFBPCDQOGF-XUVXKRRUSA-N 1 1 362.539 3.173 20 30 FGEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000648073343 718398232 /nfs/dbraw/zinc/39/82/32/718398232.db2.gz JSTLQZFCNMLDSB-CYBMUJFWSA-N 1 1 372.284 3.345 20 30 FGEDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000648073343 718398236 /nfs/dbraw/zinc/39/82/36/718398236.db2.gz JSTLQZFCNMLDSB-CYBMUJFWSA-N 1 1 372.284 3.345 20 30 FGEDMO C[NH+]1CCC(CNc2nc(Cl)c(C#N)s2)(N2CCCCC2)CC1 ZINC000804507957 724523806 /nfs/dbraw/zinc/52/38/06/724523806.db2.gz QAHVGDGWYYSAKH-UHFFFAOYSA-N 1 1 353.923 3.030 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001164638063 719204909 /nfs/dbraw/zinc/20/49/09/719204909.db2.gz MYNLADMPOFZHKA-VXGBXAGGSA-N 1 1 359.836 3.337 20 30 FGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000659817551 719939744 /nfs/dbraw/zinc/93/97/44/719939744.db2.gz KUCNRPPTUYWLJB-UHFFFAOYSA-N 1 1 370.927 3.498 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000659817551 719939747 /nfs/dbraw/zinc/93/97/47/719939747.db2.gz KUCNRPPTUYWLJB-UHFFFAOYSA-N 1 1 370.927 3.498 20 30 FGEDMO N#Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899280 721507790 /nfs/dbraw/zinc/50/77/90/721507790.db2.gz KTDBLMZXNXDJGP-NVXWUHKLSA-N 1 1 372.831 3.088 20 30 FGEDMO Cc1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165028027 721803076 /nfs/dbraw/zinc/80/30/76/721803076.db2.gz XWZOFSVVVGPVGY-DZFGPLHGSA-N 1 1 361.493 3.394 20 30 FGEDMO C=CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CC1 ZINC001165032304 721870908 /nfs/dbraw/zinc/87/09/08/721870908.db2.gz NHNXOKZVBVPLCW-UHFFFAOYSA-N 1 1 356.857 3.295 20 30 FGEDMO C=CCCOCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677821305 721917993 /nfs/dbraw/zinc/91/79/93/721917993.db2.gz XAIXHRQNHDGAFD-KBXCAEBGSA-N 1 1 354.853 3.181 20 30 FGEDMO C#CCOc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000784143801 724825263 /nfs/dbraw/zinc/82/52/63/724825263.db2.gz QMVSIXFUFUTSPC-UHFFFAOYSA-N 1 1 355.463 3.174 20 30 FGEDMO C#CCOc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)cc1 ZINC000784143801 724825267 /nfs/dbraw/zinc/82/52/67/724825267.db2.gz QMVSIXFUFUTSPC-UHFFFAOYSA-N 1 1 355.463 3.174 20 30 FGEDMO C=CCOC[C@@H]1CCC[C@]12CN(c1ccc(C[N@H+](C)C3CC3)cn1)CCO2 ZINC001164981045 722169772 /nfs/dbraw/zinc/16/97/72/722169772.db2.gz ZWEUQWLILLEGJJ-UGKGYDQZSA-N 1 1 371.525 3.254 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000735364695 722515912 /nfs/dbraw/zinc/51/59/12/722515912.db2.gz ZTONDPDSZSCRPR-HNNXBMFYSA-N 1 1 361.873 3.077 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000743256996 722565219 /nfs/dbraw/zinc/56/52/19/722565219.db2.gz ALVIOWJQBPXGAT-FQEVSTJZSA-N 1 1 355.869 3.063 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000751494807 722810538 /nfs/dbraw/zinc/81/05/38/722810538.db2.gz JPONFGPRBAVWCU-SFHVURJKSA-N 1 1 364.873 3.402 20 30 FGEDMO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000754166090 722930413 /nfs/dbraw/zinc/93/04/13/722930413.db2.gz DORYKZXSJYTKCN-MZNJEOGPSA-N 1 1 362.882 3.452 20 30 FGEDMO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C=NN1CC[NH+](C)CC1 ZINC000754701272 722944677 /nfs/dbraw/zinc/94/46/77/722944677.db2.gz RAUOEGQJASWWMK-UHFFFAOYSA-N 1 1 359.905 3.290 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)c1ccc(Br)s1 ZINC000756554318 722966711 /nfs/dbraw/zinc/96/67/11/722966711.db2.gz XHGQRRUICYDFSF-VXGBXAGGSA-N 1 1 356.285 3.255 20 30 FGEDMO Cc1ccccc1N=C1NC(=O)/C(=C\c2ncc(C[NH+](C)C)s2)S1 ZINC000794697439 723541378 /nfs/dbraw/zinc/54/13/78/723541378.db2.gz ZVVQYUKDOWGQBC-RIYZIHGNSA-N 1 1 358.492 3.405 20 30 FGEDMO C#C[C@@H](C)N(C)Cn1nc([C@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000766665099 723585724 /nfs/dbraw/zinc/58/57/24/723585724.db2.gz FUAZKKWULVJLLS-KGLIPLIRSA-N 1 1 361.490 3.076 20 30 FGEDMO N#Cc1ccc(CN[NH+]=Cc2c(Cl)cccc2N2CCOCC2)cc1 ZINC000769813539 723696627 /nfs/dbraw/zinc/69/66/27/723696627.db2.gz GEDWMAPXPJADGE-UHFFFAOYSA-N 1 1 354.841 3.172 20 30 FGEDMO CC1=C(Br)C[N@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000797527997 723831312 /nfs/dbraw/zinc/83/13/12/723831312.db2.gz 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C[C@@H]1C[NH+](C(C)(C)CNc2cc(Br)cnc2C#N)C[C@@H](C)O1 ZINC000787894273 725040217 /nfs/dbraw/zinc/04/02/17/725040217.db2.gz IMXQORVDKFDYOL-VXGBXAGGSA-N 1 1 367.291 3.015 20 30 FGEDMO N#CCSCCCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000805461398 725073510 /nfs/dbraw/zinc/07/35/10/725073510.db2.gz AYHAOIRTWJPCLJ-MRXNPFEDSA-N 1 1 350.459 3.228 20 30 FGEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1ccc(Br)cc1C#N ZINC000805542211 725079444 /nfs/dbraw/zinc/07/94/44/725079444.db2.gz JIXGFEUKJIGFEU-RYUDHWBXSA-N 1 1 351.244 3.237 20 30 FGEDMO C#CCn1ccc(C[N@H+](CC)CCOc2cccc(Br)c2)n1 ZINC000789331462 725122689 /nfs/dbraw/zinc/12/26/89/725122689.db2.gz AHPSBVQVXPMTSY-UHFFFAOYSA-N 1 1 362.271 3.180 20 30 FGEDMO C#CCn1ccc(C[N@@H+](CC)CCOc2cccc(Br)c2)n1 ZINC000789331462 725122691 /nfs/dbraw/zinc/12/26/91/725122691.db2.gz AHPSBVQVXPMTSY-UHFFFAOYSA-N 1 1 362.271 3.180 20 30 FGEDMO C#C[C@H](C)N(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000812184649 725390252 /nfs/dbraw/zinc/39/02/52/725390252.db2.gz 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30 FGEDMO C=CC[N@H+](CC(=O)Nc1oc(C)c2c1c(=O)[nH]nc2C)CC1CCCCC1 ZINC000069860070 494023126 /nfs/dbraw/zinc/02/31/26/494023126.db2.gz FLXICJRQILMHGP-UHFFFAOYSA-N 1 1 372.469 3.140 20 30 FGEDMO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077322477 494057779 /nfs/dbraw/zinc/05/77/79/494057779.db2.gz BRCRRPXSDHJGNJ-UHOSZYNNSA-N 1 1 361.530 3.197 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000052800961 494062331 /nfs/dbraw/zinc/06/23/31/494062331.db2.gz FCXHASLPZFCCTO-UHFFFAOYSA-N 1 1 368.868 3.362 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000052800961 494062334 /nfs/dbraw/zinc/06/23/34/494062334.db2.gz FCXHASLPZFCCTO-UHFFFAOYSA-N 1 1 368.868 3.362 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1C#N ZINC000063724180 494079790 /nfs/dbraw/zinc/07/97/90/494079790.db2.gz SSAYVCRYPVZTBZ-UHFFFAOYSA-N 1 1 372.538 3.499 20 30 FGEDMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000077500348 494097553 /nfs/dbraw/zinc/09/75/53/494097553.db2.gz ARSRNTFGIQVBBG-UHFFFAOYSA-N 1 1 352.413 3.356 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000064743352 494146397 /nfs/dbraw/zinc/14/63/97/494146397.db2.gz UCASQTSYEMOYSL-SFHVURJKSA-N 1 1 364.449 3.353 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3c(F)cccc3F)CC2)cc1 ZINC000087026783 494163429 /nfs/dbraw/zinc/16/34/29/494163429.db2.gz OBVWEDQYFJQHJW-UHFFFAOYSA-N 1 1 369.415 3.113 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3c(F)cccc3F)CC2)cc1 ZINC000087026783 494163431 /nfs/dbraw/zinc/16/34/31/494163431.db2.gz OBVWEDQYFJQHJW-UHFFFAOYSA-N 1 1 369.415 3.113 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000072604979 494215779 /nfs/dbraw/zinc/21/57/79/494215779.db2.gz ZEHWDZNXRPAXKN-GOSISDBHSA-N 1 1 363.417 3.453 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054301208 494219222 /nfs/dbraw/zinc/21/92/22/494219222.db2.gz KQHZPGNNRGMBID-GOSISDBHSA-N 1 1 354.494 3.479 20 30 FGEDMO CC[N@@H+](CC(=O)NCc1cccc(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340576 494222177 /nfs/dbraw/zinc/22/21/77/494222177.db2.gz AUCQDSGMLMITKV-MRXNPFEDSA-N 1 1 351.450 3.266 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000042883215 494250345 /nfs/dbraw/zinc/25/03/45/494250345.db2.gz JRGFGNAHIKOAMP-HXUWFJFHSA-N 1 1 363.461 3.351 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000042883216 494250827 /nfs/dbraw/zinc/25/08/27/494250827.db2.gz JRGFGNAHIKOAMP-FQEVSTJZSA-N 1 1 363.461 3.351 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000072807943 494253943 /nfs/dbraw/zinc/25/39/43/494253943.db2.gz IOVOTUOQAYOEQO-QUCCMNQESA-N 1 1 369.509 3.244 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000072898187 494278077 /nfs/dbraw/zinc/27/80/77/494278077.db2.gz KCBYVGSKLKFKRZ-UYAOXDASSA-N 1 1 358.445 3.237 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000072898187 494278082 /nfs/dbraw/zinc/27/80/82/494278082.db2.gz KCBYVGSKLKFKRZ-UYAOXDASSA-N 1 1 358.445 3.237 20 30 FGEDMO C[N@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2C#N)[C@@H]1c1cccs1 ZINC000078338384 494281958 /nfs/dbraw/zinc/28/19/58/494281958.db2.gz LJEJZYCUWZWVHB-MLGOLLRUSA-N 1 1 357.439 3.418 20 30 FGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000066174496 494282977 /nfs/dbraw/zinc/28/29/77/494282977.db2.gz NEAMAYSTUYRGJU-SFHVURJKSA-N 1 1 354.454 3.374 20 30 FGEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000066192867 494287088 /nfs/dbraw/zinc/28/70/88/494287088.db2.gz DVSXMZFXCNEEGW-INIZCTEOSA-N 1 1 353.470 3.320 20 30 FGEDMO Cc1oc(NC(=O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C#N)c1C ZINC000072974757 494295301 /nfs/dbraw/zinc/29/53/01/494295301.db2.gz ITHNYGJGTALUCG-MAUKXSAKSA-N 1 1 372.513 3.293 20 30 FGEDMO Cc1ccc(NC(=O)N2CC[NH+](CCCSCC#N)CC2)cc1Cl ZINC000089422732 494305435 /nfs/dbraw/zinc/30/54/35/494305435.db2.gz RUSKLPWHYWHZLE-UHFFFAOYSA-N 1 1 366.918 3.445 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000073215836 494339620 /nfs/dbraw/zinc/33/96/20/494339620.db2.gz BXHVNRBYKBUTLR-WMZOPIPTSA-N 1 1 372.488 3.493 20 30 FGEDMO C[C@@H](C#N)C[N@H+](C)CCCOc1cccc(I)c1 ZINC000066469011 494340665 /nfs/dbraw/zinc/34/06/65/494340665.db2.gz JXOTWSXYMNLQQK-LBPRGKRZSA-N 1 1 358.223 3.152 20 30 FGEDMO C[C@@H](C#N)C[N@@H+](C)CCCOc1cccc(I)c1 ZINC000066469011 494340667 /nfs/dbraw/zinc/34/06/67/494340667.db2.gz JXOTWSXYMNLQQK-LBPRGKRZSA-N 1 1 358.223 3.152 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1 ZINC000089931258 494404834 /nfs/dbraw/zinc/40/48/34/494404834.db2.gz HXUVQUUPBCMUSJ-OTWHNJEPSA-N 1 1 357.498 3.031 20 30 FGEDMO C[N@@H+](CCCOc1ccc2ccccc2c1)CCCc1[nH]nc(N)c1C#N ZINC000089943711 494409097 /nfs/dbraw/zinc/40/90/97/494409097.db2.gz CYGYGHWLBYVKDE-UHFFFAOYSA-N 1 1 363.465 3.350 20 30 FGEDMO N#CCSCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066842320 494420143 /nfs/dbraw/zinc/42/01/43/494420143.db2.gz BASSGDYXFBAPIA-UHFFFAOYSA-N 1 1 372.321 3.331 20 30 FGEDMO N#CCSc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000079386623 494444476 /nfs/dbraw/zinc/44/44/76/494444476.db2.gz GWSKAJFMGNXBEO-GOSISDBHSA-N 1 1 351.475 3.307 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CCC#N)CC1 ZINC000577391381 505719310 /nfs/dbraw/zinc/71/93/10/505719310.db2.gz TXNWMKWBDQOCDW-ZDUSSCGKSA-N 1 1 356.495 3.451 20 30 FGEDMO CN(C(=O)C[N@@H+](CCO)[C@H]1CCCc2ccccc21)C1(C#N)CCCCC1 ZINC000074312407 494514908 /nfs/dbraw/zinc/51/49/08/494514908.db2.gz KEOYLEUJBKDISG-FQEVSTJZSA-N 1 1 369.509 3.043 20 30 FGEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1ccc(OC)cc1 ZINC000056495317 494515852 /nfs/dbraw/zinc/51/58/52/494515852.db2.gz CGNMSROVHPEWSF-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1OC)Cc1ccc(OC)cc1 ZINC000056495317 494515854 /nfs/dbraw/zinc/51/58/54/494515854.db2.gz CGNMSROVHPEWSF-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000046528246 494535839 /nfs/dbraw/zinc/53/58/39/494535839.db2.gz HXUWXYLTGISQKG-AWEZNQCLSA-N 1 1 353.422 3.034 20 30 FGEDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000046528246 494535842 /nfs/dbraw/zinc/53/58/42/494535842.db2.gz HXUWXYLTGISQKG-AWEZNQCLSA-N 1 1 353.422 3.034 20 30 FGEDMO C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000067457020 494544986 /nfs/dbraw/zinc/54/49/86/494544986.db2.gz YIUKMUKSXGRSHL-CQSZACIVSA-N 1 1 358.392 3.438 20 30 FGEDMO C=CCOc1cccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000056753936 494556561 /nfs/dbraw/zinc/55/65/61/494556561.db2.gz SJNIWTGRKQQBSE-UHFFFAOYSA-N 1 1 357.479 3.493 20 30 FGEDMO C=CCOc1cccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000056753936 494556567 /nfs/dbraw/zinc/55/65/67/494556567.db2.gz SJNIWTGRKQQBSE-UHFFFAOYSA-N 1 1 357.479 3.493 20 30 FGEDMO COc1cc(C#N)ccc1OCCCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000046786365 494566353 /nfs/dbraw/zinc/56/63/53/494566353.db2.gz VPBVUNNBOPRMEW-KRWDZBQOSA-N 1 1 373.497 3.107 20 30 FGEDMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCOC1 ZINC000107695241 494584880 /nfs/dbraw/zinc/58/48/80/494584880.db2.gz YMDLQXVVGQHPNC-CQSZACIVSA-N 1 1 361.511 3.186 20 30 FGEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(C(=O)NC)cc2)cc(OC)c1O ZINC000121154263 494620261 /nfs/dbraw/zinc/62/02/61/494620261.db2.gz HEPPNHAPXLDVMX-UHFFFAOYSA-N 1 1 354.450 3.121 20 30 FGEDMO O=C(Nc1n[nH]c(-c2ccccn2)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057173185 494666800 /nfs/dbraw/zinc/66/68/00/494666800.db2.gz YNXTZOVOKQCJHI-MRXNPFEDSA-N 1 1 362.437 3.367 20 30 FGEDMO O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057173185 494666808 /nfs/dbraw/zinc/66/68/08/494666808.db2.gz YNXTZOVOKQCJHI-MRXNPFEDSA-N 1 1 362.437 3.367 20 30 FGEDMO O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057173185 494666811 /nfs/dbraw/zinc/66/68/11/494666811.db2.gz YNXTZOVOKQCJHI-MRXNPFEDSA-N 1 1 362.437 3.367 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000092589189 494679898 /nfs/dbraw/zinc/67/98/98/494679898.db2.gz UWNISBZWUHBMQF-FQEVSTJZSA-N 1 1 363.461 3.367 20 30 FGEDMO CCCn1nc(C)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1C ZINC000091792274 494681248 /nfs/dbraw/zinc/68/12/48/494681248.db2.gz QVZMLSHSHZBCKD-UHFFFAOYSA-N 1 1 351.498 3.494 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1OCCCC#N ZINC000091833223 494697018 /nfs/dbraw/zinc/69/70/18/494697018.db2.gz ACYXXGMHXQPACD-QGZVFWFLSA-N 1 1 370.453 3.449 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000067963416 494710423 /nfs/dbraw/zinc/71/04/23/494710423.db2.gz GUBFVQOJDMUDMZ-KRWDZBQOSA-N 1 1 364.367 3.449 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)CCC)C2)cc1OC ZINC000092707766 494721183 /nfs/dbraw/zinc/72/11/83/494721183.db2.gz HNKMPBQZNFFNOC-SFHVURJKSA-N 1 1 360.498 3.388 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CNc2ccc(C#N)cc2)cc1 ZINC000080595839 494740423 /nfs/dbraw/zinc/74/04/23/494740423.db2.gz CZAFKVICGHTAGX-OAHLLOKOSA-N 1 1 359.433 3.342 20 30 FGEDMO COc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc2c1OCO2 ZINC000092034207 494761979 /nfs/dbraw/zinc/76/19/79/494761979.db2.gz HJEQCOHNWCJBPO-UHFFFAOYSA-N 1 1 366.417 3.339 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000047739975 494767154 /nfs/dbraw/zinc/76/71/54/494767154.db2.gz MASDASCJFMBGPO-UHFFFAOYSA-N 1 1 365.433 3.180 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000047739975 494767157 /nfs/dbraw/zinc/76/71/57/494767157.db2.gz MASDASCJFMBGPO-UHFFFAOYSA-N 1 1 365.433 3.180 20 30 FGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000047740041 494767388 /nfs/dbraw/zinc/76/73/88/494767388.db2.gz WVZIVHNGMRAMIM-IBGZPJMESA-N 1 1 369.421 3.118 20 30 FGEDMO N#Cc1ccc(SCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000075473118 494772101 /nfs/dbraw/zinc/77/21/01/494772101.db2.gz NDSYMAFBTOHSMJ-QGZVFWFLSA-N 1 1 355.463 3.197 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000108769453 494781945 /nfs/dbraw/zinc/78/19/45/494781945.db2.gz MDUZJSYEGXUTAE-OAQYLSRUSA-N 1 1 365.477 3.210 20 30 FGEDMO C[N@H+](CCOc1ccc(F)cc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075586723 494800282 /nfs/dbraw/zinc/80/02/82/494800282.db2.gz SGYOZBCSYRGEGG-UHFFFAOYSA-N 1 1 352.369 3.258 20 30 FGEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075586723 494800286 /nfs/dbraw/zinc/80/02/86/494800286.db2.gz SGYOZBCSYRGEGG-UHFFFAOYSA-N 1 1 352.369 3.258 20 30 FGEDMO N#Cc1ccccc1N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000126948342 494867076 /nfs/dbraw/zinc/86/70/76/494867076.db2.gz MZNIZIRLAIAADV-UHFFFAOYSA-N 1 1 371.444 3.463 20 30 FGEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000093331690 494871675 /nfs/dbraw/zinc/87/16/75/494871675.db2.gz HGBSPTCBLWDNPH-CQSZACIVSA-N 1 1 352.276 3.237 20 30 FGEDMO COc1ccc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1OC(F)F ZINC000127054193 494886362 /nfs/dbraw/zinc/88/63/62/494886362.db2.gz GEXHOEFQQVTCOE-INIZCTEOSA-N 1 1 362.376 3.334 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H]2CCOC2)cc1OC ZINC000093840023 494926250 /nfs/dbraw/zinc/92/62/50/494926250.db2.gz IMOIDXRJNAHEPQ-ZDUSSCGKSA-N 1 1 370.287 3.491 20 30 FGEDMO COc1c(C)cc(C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1C ZINC000110285519 494964618 /nfs/dbraw/zinc/96/46/18/494964618.db2.gz YBOJHRWXARDZMD-HXUWFJFHSA-N 1 1 363.461 3.421 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000577566818 505753665 /nfs/dbraw/zinc/75/36/65/505753665.db2.gz BOUQHZZJCYFAEM-MRXNPFEDSA-N 1 1 367.415 3.121 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000577566818 505753669 /nfs/dbraw/zinc/75/36/69/505753669.db2.gz BOUQHZZJCYFAEM-MRXNPFEDSA-N 1 1 367.415 3.121 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)[NH+](C)C ZINC000122521679 494987960 /nfs/dbraw/zinc/98/79/60/494987960.db2.gz JTVVCWFTJJCCPN-KRWDZBQOSA-N 1 1 357.841 3.253 20 30 FGEDMO COC(=O)c1cccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c1C#N ZINC000574369521 505756625 /nfs/dbraw/zinc/75/66/25/505756625.db2.gz JXDWUEJIGOLVIH-GOSISDBHSA-N 1 1 370.474 3.400 20 30 FGEDMO N#Cc1ccc(NC(=O)CCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000118834165 495044728 /nfs/dbraw/zinc/04/47/28/495044728.db2.gz BEWSFDQZCHASBT-FQEVSTJZSA-N 1 1 368.525 3.475 20 30 FGEDMO C[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000111504910 495083399 /nfs/dbraw/zinc/08/33/99/495083399.db2.gz IMPYTKTXZACSOS-QGZVFWFLSA-N 1 1 350.466 3.220 20 30 FGEDMO CC[NH+](CC)[C@@H](CNCc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000123272559 495106628 /nfs/dbraw/zinc/10/66/28/495106628.db2.gz LWZDWFXSZPSZDO-HXUWFJFHSA-N 1 1 361.493 3.249 20 30 FGEDMO CC[C@H](O)C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000134487829 495156803 /nfs/dbraw/zinc/15/68/03/495156803.db2.gz IZMQOMNWFMBQEL-KRWDZBQOSA-N 1 1 357.479 3.221 20 30 FGEDMO C=CCC(CC=C)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000123607733 495159590 /nfs/dbraw/zinc/15/95/90/495159590.db2.gz GTZFMFGIJAPPJG-UHFFFAOYSA-N 1 1 355.526 3.209 20 30 FGEDMO COCC1CC[NH+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000112355709 495180410 /nfs/dbraw/zinc/18/04/10/495180410.db2.gz CDUVCXHMDLJHOH-HNNXBMFYSA-N 1 1 361.511 3.378 20 30 FGEDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000112700031 495225398 /nfs/dbraw/zinc/22/53/98/495225398.db2.gz GCFICPOPNOCAPP-INIZCTEOSA-N 1 1 352.482 3.185 20 30 FGEDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000112700031 495225400 /nfs/dbraw/zinc/22/54/00/495225400.db2.gz GCFICPOPNOCAPP-INIZCTEOSA-N 1 1 352.482 3.185 20 30 FGEDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135180375 495259519 /nfs/dbraw/zinc/25/95/19/495259519.db2.gz KOCSIKRGEGCREY-HNNXBMFYSA-N 1 1 371.506 3.328 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715699 495300144 /nfs/dbraw/zinc/30/01/44/495300144.db2.gz BSXHPJQUCSRBBU-MRXNPFEDSA-N 1 1 374.444 3.300 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135512240 495303989 /nfs/dbraw/zinc/30/39/89/495303989.db2.gz KDJJFAVMFWNJEH-RDTXWAMCSA-N 1 1 374.847 3.112 20 30 FGEDMO C#CCCCCC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000120100638 495306615 /nfs/dbraw/zinc/30/66/15/495306615.db2.gz MRCWUYVUQAYNMX-UHFFFAOYSA-N 1 1 371.525 3.323 20 30 FGEDMO CC(C)CO[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000120129329 495312679 /nfs/dbraw/zinc/31/26/79/495312679.db2.gz QKOLVBVOZXQSCS-CQSZACIVSA-N 1 1 361.511 3.184 20 30 FGEDMO C[N@@H+](CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000125182840 495402652 /nfs/dbraw/zinc/40/26/52/495402652.db2.gz VIJTWUYOBIRWMV-UHFFFAOYSA-N 1 1 369.440 3.103 20 30 FGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130660596 495426196 /nfs/dbraw/zinc/42/61/96/495426196.db2.gz XPUONFVXNMJMGQ-MRXNPFEDSA-N 1 1 357.845 3.327 20 30 FGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130660596 495426200 /nfs/dbraw/zinc/42/62/00/495426200.db2.gz XPUONFVXNMJMGQ-MRXNPFEDSA-N 1 1 357.845 3.327 20 30 FGEDMO Cc1cc(C)n(CC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000106187386 495427586 /nfs/dbraw/zinc/42/75/86/495427586.db2.gz NAHASUOGSGWQRP-QGZVFWFLSA-N 1 1 365.481 3.111 20 30 FGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2ccccc2)O1 ZINC000138363321 495460562 /nfs/dbraw/zinc/46/05/62/495460562.db2.gz NHLVCKKCALNRFY-RHSMWYFYSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H](c2ccccc2)O1 ZINC000138363321 495460565 /nfs/dbraw/zinc/46/05/65/495460565.db2.gz NHLVCKKCALNRFY-RHSMWYFYSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000120999790 495500593 /nfs/dbraw/zinc/50/05/93/495500593.db2.gz VTJDZUKCDWKNPN-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO N#Cc1ccc([C@@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)C(N)=O)cc1 ZINC000115598710 495520787 /nfs/dbraw/zinc/52/07/87/495520787.db2.gz KAUOVUSQDBMDLS-ZWKOTPCHSA-N 1 1 371.387 3.353 20 30 FGEDMO N#Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc1 ZINC000107553788 495528963 /nfs/dbraw/zinc/52/89/63/495528963.db2.gz LSTIROFUQIKRKD-SFHVURJKSA-N 1 1 354.841 3.174 20 30 FGEDMO N#C[C@H](c1ccccc1)N1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000170790288 495605629 /nfs/dbraw/zinc/60/56/29/495605629.db2.gz FPSGGMHPLNFQGF-HXUWFJFHSA-N 1 1 366.440 3.037 20 30 FGEDMO C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182601213 495631768 /nfs/dbraw/zinc/63/17/68/495631768.db2.gz AJWZPIQIHIDNAW-SJLPKXTDSA-N 1 1 370.497 3.041 20 30 FGEDMO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1OCC(=O)N(C)C ZINC000179730014 495708639 /nfs/dbraw/zinc/70/86/39/495708639.db2.gz CLNMREWFAJDFIB-LJQANCHMSA-N 1 1 369.440 3.405 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182815107 495714249 /nfs/dbraw/zinc/71/42/49/495714249.db2.gz ZWMHGUWIMSVQSV-GJZGRUSLSA-N 1 1 370.419 3.128 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000179780151 495732065 /nfs/dbraw/zinc/73/20/65/495732065.db2.gz XYMQTMZYIIHMCQ-IBGZPJMESA-N 1 1 374.492 3.459 20 30 FGEDMO N#Cc1cc(F)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(F)c1 ZINC000151091843 495734350 /nfs/dbraw/zinc/73/43/50/495734350.db2.gz KMUBICHBRPWDGY-INIZCTEOSA-N 1 1 359.376 3.386 20 30 FGEDMO COC(=O)[C@@H](C)C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000154947359 495781216 /nfs/dbraw/zinc/78/12/16/495781216.db2.gz OUXGPVMEDRAIDI-INIZCTEOSA-N 1 1 362.433 3.017 20 30 FGEDMO N#Cc1ccc(CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C2CC2)cc1 ZINC000171304500 495811710 /nfs/dbraw/zinc/81/17/10/495811710.db2.gz ZRRGFBZCAWKDJH-UHFFFAOYSA-N 1 1 374.488 3.291 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180208010 495907146 /nfs/dbraw/zinc/90/71/46/495907146.db2.gz JTUYEFVGKPLMAD-KRWDZBQOSA-N 1 1 366.465 3.122 20 30 FGEDMO Cc1cnc(CC[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)s1 ZINC000180227042 495914816 /nfs/dbraw/zinc/91/48/16/495914816.db2.gz YYIRMYLFSYVWTC-UHFFFAOYSA-N 1 1 351.479 3.398 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(OCCCCC)cc2)CC1 ZINC000171536454 495919125 /nfs/dbraw/zinc/91/91/25/495919125.db2.gz WQEYGIBDFDKNNU-UHFFFAOYSA-N 1 1 366.527 3.184 20 30 FGEDMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000180271853 495931195 /nfs/dbraw/zinc/93/11/95/495931195.db2.gz HJPNRZYLPSLHCX-JXFKEZNVSA-N 1 1 360.465 3.238 20 30 FGEDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000183436486 495982724 /nfs/dbraw/zinc/98/27/24/495982724.db2.gz AOKBMAISSYBONZ-GFCCVEGCSA-N 1 1 357.385 3.004 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C#N ZINC000155524544 495983413 /nfs/dbraw/zinc/98/34/13/495983413.db2.gz XLUMBNVAIYRYSU-KDOFPFPSSA-N 1 1 370.522 3.109 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CC1CCOCC1 ZINC000156144243 496170160 /nfs/dbraw/zinc/17/01/60/496170160.db2.gz BRLUZNKOVNUDQF-OAHLLOKOSA-N 1 1 361.511 3.378 20 30 FGEDMO C[C@H](CNC(=O)NCc1cc(C#N)ccc1F)[N@@H+]1CCc2sccc2C1 ZINC000174993004 496198489 /nfs/dbraw/zinc/19/84/89/496198489.db2.gz CSQZAJJIMUKLSY-CYBMUJFWSA-N 1 1 372.469 3.005 20 30 FGEDMO C[C@H](CNC(=O)NCc1cc(C#N)ccc1F)[N@H+]1CCc2sccc2C1 ZINC000174993004 496198493 /nfs/dbraw/zinc/19/84/93/496198493.db2.gz CSQZAJJIMUKLSY-CYBMUJFWSA-N 1 1 372.469 3.005 20 30 FGEDMO CCCN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177796295 496199723 /nfs/dbraw/zinc/19/97/23/496199723.db2.gz UIDCBJIZPAGPSL-IBGZPJMESA-N 1 1 350.466 3.403 20 30 FGEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000161848979 496249012 /nfs/dbraw/zinc/24/90/12/496249012.db2.gz WTAZFZMXYZUQHN-AWEZNQCLSA-N 1 1 363.483 3.004 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000161907056 496260725 /nfs/dbraw/zinc/26/07/25/496260725.db2.gz TXJSVJLTZZNKSU-BDJLRTHQSA-N 1 1 358.239 3.198 20 30 FGEDMO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161937986 496266715 /nfs/dbraw/zinc/26/67/15/496266715.db2.gz KQYBIXVMEBZGDJ-UKRRQHHQSA-N 1 1 350.388 3.425 20 30 FGEDMO C[C@@H]1[C@H](C)OCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000156554230 496277610 /nfs/dbraw/zinc/27/76/10/496277610.db2.gz UZGJBOPZHRBRSD-KGLIPLIRSA-N 1 1 361.511 3.326 20 30 FGEDMO C[C@@H]1[C@H](C)OCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000156554230 496277615 /nfs/dbraw/zinc/27/76/15/496277615.db2.gz UZGJBOPZHRBRSD-KGLIPLIRSA-N 1 1 361.511 3.326 20 30 FGEDMO N#Cc1c(Cl)nsc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000181135542 496282347 /nfs/dbraw/zinc/28/23/47/496282347.db2.gz OEQUKHXGRXFLRG-CQSZACIVSA-N 1 1 362.886 3.237 20 30 FGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000178042928 496301413 /nfs/dbraw/zinc/30/14/13/496301413.db2.gz BFRXIQAZGYKCDY-QGZVFWFLSA-N 1 1 351.425 3.339 20 30 FGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000178042928 496301418 /nfs/dbraw/zinc/30/14/18/496301418.db2.gz BFRXIQAZGYKCDY-QGZVFWFLSA-N 1 1 351.425 3.339 20 30 FGEDMO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nc2ccccc2n1C ZINC000162308383 496333955 /nfs/dbraw/zinc/33/39/55/496333955.db2.gz KFTVIZKXRWDEKT-BEFAXECRSA-N 1 1 373.460 3.291 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3ccc(Cl)cc3)CC2)cc1 ZINC000580790700 505839074 /nfs/dbraw/zinc/83/90/74/505839074.db2.gz MLGMXVXIUPYMEZ-UHFFFAOYSA-N 1 1 360.866 3.264 20 30 FGEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1O ZINC000156937907 496368954 /nfs/dbraw/zinc/36/89/54/496368954.db2.gz PEXSPCWLAGYUGA-INIZCTEOSA-N 1 1 367.449 3.168 20 30 FGEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1O ZINC000156937907 496368958 /nfs/dbraw/zinc/36/89/58/496368958.db2.gz PEXSPCWLAGYUGA-INIZCTEOSA-N 1 1 367.449 3.168 20 30 FGEDMO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccn3Cc3ccccc3C#N)[C@@H]2C1 ZINC000187476725 496458684 /nfs/dbraw/zinc/45/86/84/496458684.db2.gz LVKYTSMAXUUGSW-YPAWHYETSA-N 1 1 365.477 3.176 20 30 FGEDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccn3Cc3ccccc3C#N)[C@@H]2C1 ZINC000187476725 496458687 /nfs/dbraw/zinc/45/86/87/496458687.db2.gz LVKYTSMAXUUGSW-YPAWHYETSA-N 1 1 365.477 3.176 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000153471030 496465794 /nfs/dbraw/zinc/46/57/94/496465794.db2.gz IFUQNDSKCXIAKB-PKOBYXMFSA-N 1 1 370.493 3.349 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000178516481 496484749 /nfs/dbraw/zinc/48/47/49/496484749.db2.gz QUIVISREUQZAPG-UHFFFAOYSA-N 1 1 361.489 3.375 20 30 FGEDMO CC[C@@]1(CO)CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000187619396 496512919 /nfs/dbraw/zinc/51/29/19/496512919.db2.gz CYGLXXLFVYVTCE-LJQANCHMSA-N 1 1 363.889 3.071 20 30 FGEDMO CC[C@@]1(CO)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000187619396 496512921 /nfs/dbraw/zinc/51/29/21/496512921.db2.gz CYGLXXLFVYVTCE-LJQANCHMSA-N 1 1 363.889 3.071 20 30 FGEDMO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000181831519 496563969 /nfs/dbraw/zinc/56/39/69/496563969.db2.gz PQYDPUSFNZTBIB-LJQANCHMSA-N 1 1 365.433 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C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC[N@H+]1C ZINC000329552912 497827720 /nfs/dbraw/zinc/82/77/20/497827720.db2.gz AVYZVMUJHILZLN-ILOCAZANSA-N 1 1 357.502 3.053 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC3(C2)Oc2ccccc2O3)C1 ZINC000329622790 497848955 /nfs/dbraw/zinc/84/89/55/497848955.db2.gz FWZOUFGJFVIEEA-MRXNPFEDSA-N 1 1 373.497 3.284 20 30 FGEDMO C[N@H+]1CC[C@@H](NCc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1c1ccccc1 ZINC000581220424 505936380 /nfs/dbraw/zinc/93/63/80/505936380.db2.gz MMYDYXBDWOXBBQ-QUCCMNQESA-N 1 1 359.433 3.143 20 30 FGEDMO CN1CC[C@@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1c1ccccc1 ZINC000581220424 505936384 /nfs/dbraw/zinc/93/63/84/505936384.db2.gz MMYDYXBDWOXBBQ-QUCCMNQESA-N 1 1 359.433 3.143 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cn(C)nc2C2CC2)C1 ZINC000329641549 497853468 /nfs/dbraw/zinc/85/34/68/497853468.db2.gz XTMHEOLGOJBDDS-HOTGVXAUSA-N 1 1 359.518 3.429 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000292049592 497854648 /nfs/dbraw/zinc/85/46/48/497854648.db2.gz BBJNDCDRBIMTDX-OAHLLOKOSA-N 1 1 364.380 3.401 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000292049592 497854656 /nfs/dbraw/zinc/85/46/56/497854656.db2.gz BBJNDCDRBIMTDX-OAHLLOKOSA-N 1 1 364.380 3.401 20 30 FGEDMO CN(C)c1ncccc1O[C@@H]1CC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000329660045 497860360 /nfs/dbraw/zinc/86/03/60/497860360.db2.gz HZSICHDUMPMBLK-QGZVFWFLSA-N 1 1 360.502 3.280 20 30 FGEDMO CN(C)c1ncccc1O[C@@H]1CC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000329660045 497860367 /nfs/dbraw/zinc/86/03/67/497860367.db2.gz HZSICHDUMPMBLK-QGZVFWFLSA-N 1 1 360.502 3.280 20 30 FGEDMO CN(C(=O)[C@H](C#N)CCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569458558 505940635 /nfs/dbraw/zinc/94/06/35/505940635.db2.gz FMQNZWDXDOKJEZ-FCHUYYIVSA-N 1 1 361.489 3.492 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)[C@H]1c1ccccc1 ZINC000329757266 497890488 /nfs/dbraw/zinc/89/04/88/497890488.db2.gz MTQPMHWGDUIOPT-JRSUCEMESA-N 1 1 371.525 3.361 20 30 FGEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NC[C@@H]1Cc2ccccc2O1 ZINC000329789393 497901354 /nfs/dbraw/zinc/90/13/54/497901354.db2.gz BXCVKYMUKLDRBG-HAGHYFMRSA-N 1 1 372.509 3.352 20 30 FGEDMO N#Cc1ccncc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000578461164 505944997 /nfs/dbraw/zinc/94/49/97/505944997.db2.gz RNGVWOFJTQJWJP-QFIPXVFZSA-N 1 1 360.461 3.082 20 30 FGEDMO COc1ccc(OC)c(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000329824830 497915863 /nfs/dbraw/zinc/91/58/63/497915863.db2.gz HZHWTZYUBQANBY-UHFFFAOYSA-N 1 1 361.486 3.068 20 30 FGEDMO Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCCC34CCCC4)CC2)cn1 ZINC000329842236 497921798 /nfs/dbraw/zinc/92/17/98/497921798.db2.gz WZFKGSYCMIGASU-IBGZPJMESA-N 1 1 373.545 3.345 20 30 FGEDMO Cn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCCC34CCCC4)CC2)cn1 ZINC000329842236 497921803 /nfs/dbraw/zinc/92/18/03/497921803.db2.gz WZFKGSYCMIGASU-IBGZPJMESA-N 1 1 373.545 3.345 20 30 FGEDMO Cc1ccc(-n2cc(NC(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cn2)c(C)c1 ZINC000329856379 497929822 /nfs/dbraw/zinc/92/98/22/497929822.db2.gz YCJSRBSNBDGKOA-MJGOQNOKSA-N 1 1 353.470 3.251 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](c2ccncc2)C1)c1cccc(Cl)c1 ZINC000569499378 505949681 /nfs/dbraw/zinc/94/96/81/505949681.db2.gz BIFDQTIZFINREX-QGZVFWFLSA-N 1 1 368.868 3.471 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H](c2ccncc2)C1)c1cccc(Cl)c1 ZINC000569499378 505949684 /nfs/dbraw/zinc/94/96/84/505949684.db2.gz BIFDQTIZFINREX-QGZVFWFLSA-N 1 1 368.868 3.471 20 30 FGEDMO CC(C)c1cccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000364396745 497937614 /nfs/dbraw/zinc/93/76/14/497937614.db2.gz DAMWFXSKMOAOTM-UHFFFAOYSA-N 1 1 362.477 3.425 20 30 FGEDMO CC(C)c1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000364396745 497937621 /nfs/dbraw/zinc/93/76/21/497937621.db2.gz DAMWFXSKMOAOTM-UHFFFAOYSA-N 1 1 362.477 3.425 20 30 FGEDMO CC1(C)C[C@H](NC(=O)NC[C@@H]2CCc3nccn3C2)c2ccc(F)cc2O1 ZINC000329924073 497954947 /nfs/dbraw/zinc/95/49/47/497954947.db2.gz UUTLGUNPAZVYRK-BBRMVZONSA-N 1 1 372.444 3.391 20 30 FGEDMO CC1(C)C[C@H](NC([O-])=[NH+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccc(F)cc2O1 ZINC000329924073 497954953 /nfs/dbraw/zinc/95/49/53/497954953.db2.gz UUTLGUNPAZVYRK-BBRMVZONSA-N 1 1 372.444 3.391 20 30 FGEDMO C[C@@H]1Oc2ccccc2N(CCC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1=O ZINC000329939048 497960510 /nfs/dbraw/zinc/96/05/10/497960510.db2.gz FJLYPODHFACEBO-RDJZCZTQSA-N 1 1 371.481 3.164 20 30 FGEDMO Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000329976331 497977725 /nfs/dbraw/zinc/97/77/25/497977725.db2.gz FIYKCMSFEKSFDJ-RMHZUWNSSA-N 1 1 366.481 3.033 20 30 FGEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000280988074 497977895 /nfs/dbraw/zinc/97/78/95/497977895.db2.gz MWDLXRWUSCUULW-FPOVZHCZSA-N 1 1 364.493 3.154 20 30 FGEDMO N#Cc1cc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)ncn1 ZINC000575348814 505965999 /nfs/dbraw/zinc/96/59/99/505965999.db2.gz LLDDANKKOODKKS-UHFFFAOYSA-N 1 1 372.270 3.187 20 30 FGEDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1ccc(F)cc1C#N)C1CCOCC1 ZINC000569599402 505973493 /nfs/dbraw/zinc/97/34/93/505973493.db2.gz RYYRTPCSCWDJPE-UHFFFAOYSA-N 1 1 362.445 3.410 20 30 FGEDMO CC(C)c1nc([C@H]2CCCN2C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)no1 ZINC000330227595 498070020 /nfs/dbraw/zinc/07/00/20/498070020.db2.gz CAUVYMQYXKZINS-WTXIUTQJSA-N 1 1 361.490 3.259 20 30 FGEDMO C=CCN(Cc1nnc(C2CCC2)n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364654982 498070099 /nfs/dbraw/zinc/07/00/99/498070099.db2.gz ITGGGKYQXPGSSJ-FQEVSTJZSA-N 1 1 365.525 3.345 20 30 FGEDMO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000330252164 498080363 /nfs/dbraw/zinc/08/03/63/498080363.db2.gz OCJXINCUOBIAPH-DZGCQCFKSA-N 1 1 351.516 3.382 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000330261335 498084556 /nfs/dbraw/zinc/08/45/56/498084556.db2.gz UEXWNVFSZGADDT-HOCLYGCPSA-N 1 1 362.470 3.429 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000330261335 498084560 /nfs/dbraw/zinc/08/45/60/498084560.db2.gz UEXWNVFSZGADDT-HOCLYGCPSA-N 1 1 362.470 3.429 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000330292373 498095512 /nfs/dbraw/zinc/09/55/12/498095512.db2.gz HDJPTZITNNCOKS-MLGOLLRUSA-N 1 1 365.437 3.092 20 30 FGEDMO Cc1ccc(NC(=O)[C@H](C)C[NH+]2CCOCC2)cc1C(=O)N1CCCCC1 ZINC000330296492 498096503 /nfs/dbraw/zinc/09/65/03/498096503.db2.gz GGLVOKKCQXPIEH-QGZVFWFLSA-N 1 1 373.497 3.177 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285469952 498096733 /nfs/dbraw/zinc/09/67/33/498096733.db2.gz KJIHQRYTBCQHTF-SJPCQFCGSA-N 1 1 359.539 3.460 20 30 FGEDMO Cc1c(NC(=O)CC[C@@H]2CCCC[N@H+]2C)c(=O)n(-c2ccccc2)n1C ZINC000330307211 498098684 /nfs/dbraw/zinc/09/86/84/498098684.db2.gz RZMUKJPETGKYKT-INIZCTEOSA-N 1 1 356.470 3.337 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)ccc2Cl)[C@H](C)C1 ZINC000285507280 498111364 /nfs/dbraw/zinc/11/13/64/498111364.db2.gz NFHYVABJNZHOMP-KDOFPFPSSA-N 1 1 363.889 3.078 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC000285507276 498111793 /nfs/dbraw/zinc/11/17/93/498111793.db2.gz NFHYVABJNZHOMP-KBXCAEBGSA-N 1 1 363.889 3.078 20 30 FGEDMO CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000330432759 498132770 /nfs/dbraw/zinc/13/27/70/498132770.db2.gz ONKJLSTVFHTBFC-CQSZACIVSA-N 1 1 357.376 3.283 20 30 FGEDMO CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000330432759 498132775 /nfs/dbraw/zinc/13/27/75/498132775.db2.gz ONKJLSTVFHTBFC-CQSZACIVSA-N 1 1 357.376 3.283 20 30 FGEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578632204 505985321 /nfs/dbraw/zinc/98/53/21/505985321.db2.gz OAFPDEAQHZPORD-CJNGLKHVSA-N 1 1 359.426 3.409 20 30 FGEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578632204 505985322 /nfs/dbraw/zinc/98/53/22/505985322.db2.gz OAFPDEAQHZPORD-CJNGLKHVSA-N 1 1 359.426 3.409 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000289454432 498153002 /nfs/dbraw/zinc/15/30/02/498153002.db2.gz LHWMZYFVHIKYSL-CQSZACIVSA-N 1 1 367.415 3.378 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc(F)cc3C#N)C2)cc(OC)c1 ZINC000301550111 498159145 /nfs/dbraw/zinc/15/91/45/498159145.db2.gz GNMLBKPJGCFXQT-KRWDZBQOSA-N 1 1 355.413 3.401 20 30 FGEDMO C=CCC[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000285715918 498179367 /nfs/dbraw/zinc/17/93/67/498179367.db2.gz DAXHLQYVMYZWDU-QUCCMNQESA-N 1 1 371.525 3.047 20 30 FGEDMO C=CCNC(=O)c1ccc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000301621611 498193153 /nfs/dbraw/zinc/19/31/53/498193153.db2.gz NJZBSKIBISWJDZ-QFBILLFUSA-N 1 1 350.466 3.072 20 30 FGEDMO COc1cc(C[NH2+]Cc2cccnc2OCC(F)(F)F)ccc1C#N ZINC000281560499 498194956 /nfs/dbraw/zinc/19/49/56/498194956.db2.gz BUPHUNIBNYCJDK-UHFFFAOYSA-N 1 1 351.328 3.193 20 30 FGEDMO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000330792519 498195748 /nfs/dbraw/zinc/19/57/48/498195748.db2.gz USVLEBWYNKOOJX-JKIFEVAISA-N 1 1 365.905 3.220 20 30 FGEDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1Br ZINC000330892801 498212849 /nfs/dbraw/zinc/21/28/49/498212849.db2.gz DHRCRWCLKOWGLU-ZYHUDNBSSA-N 1 1 371.275 3.254 20 30 FGEDMO CSc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000330944792 498222683 /nfs/dbraw/zinc/22/26/83/498222683.db2.gz IZGDNWBZSUTDIL-LSDHHAIUSA-N 1 1 365.543 3.161 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000281798257 498272937 /nfs/dbraw/zinc/27/29/37/498272937.db2.gz NOMQRAASXSXHDE-QUCCMNQESA-N 1 1 359.514 3.307 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@@H]1C ZINC000331247289 498283491 /nfs/dbraw/zinc/28/34/91/498283491.db2.gz VLIPADDPXCBWCH-DOTOQJQBSA-N 1 1 357.502 3.269 20 30 FGEDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000331284790 498292963 /nfs/dbraw/zinc/29/29/63/498292963.db2.gz HNSRLYMTNRTIBP-KGLIPLIRSA-N 1 1 364.446 3.344 20 30 FGEDMO COc1cc(C[NH+]2CCN(c3nccc4sccc43)CC2)ccc1C#N ZINC000569768954 506011578 /nfs/dbraw/zinc/01/15/78/506011578.db2.gz GZJQNBQMBQZKQB-UHFFFAOYSA-N 1 1 364.474 3.499 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](c2ccccc2)O1 ZINC000360809982 498312591 /nfs/dbraw/zinc/31/25/91/498312591.db2.gz NHLVCKKCALNRFY-YOEHRIQHSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H](c2ccccc2)O1 ZINC000360809982 498312600 /nfs/dbraw/zinc/31/26/00/498312600.db2.gz NHLVCKKCALNRFY-YOEHRIQHSA-N 1 1 355.463 3.410 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2ccc(Cl)cc2)c(C#N)c1C ZINC000289833450 498313389 /nfs/dbraw/zinc/31/33/89/498313389.db2.gz PLDILFVAOMBJDE-ZBEGNZNMSA-N 1 1 361.829 3.072 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)o2)cc1 ZINC000361033494 498335855 /nfs/dbraw/zinc/33/58/55/498335855.db2.gz TWTJMDAJDNUZLO-IRXDYDNUSA-N 1 1 352.438 3.247 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)N(C)C[C@H](C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000361109284 498346589 /nfs/dbraw/zinc/34/65/89/498346589.db2.gz SXHBQBLMAVBHGN-BVGQSLNGSA-N 1 1 364.440 3.290 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)N(C)C[C@H](C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000361109284 498346595 /nfs/dbraw/zinc/34/65/95/498346595.db2.gz SXHBQBLMAVBHGN-BVGQSLNGSA-N 1 1 364.440 3.290 20 30 FGEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)NC2(C#N)CCCCC2)c1 ZINC000331505694 498353038 /nfs/dbraw/zinc/35/30/38/498353038.db2.gz AUIAFFOYOCYNSK-APWZRJJASA-N 1 1 355.482 3.421 20 30 FGEDMO C[NH+]1CCN(c2nc3ccccc3nc2NCc2ccc(CC#N)cc2)CC1 ZINC000575864411 506020915 /nfs/dbraw/zinc/02/09/15/506020915.db2.gz JVRAIRILMPUNSF-UHFFFAOYSA-N 1 1 372.476 3.060 20 30 FGEDMO C#CC[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000297215422 498361229 /nfs/dbraw/zinc/36/12/29/498361229.db2.gz HFPQEVMAURXIPV-JGUMPVPUSA-N 1 1 369.509 3.034 20 30 FGEDMO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]Cc1nc(C#N)cs1 ZINC000575910905 506031232 /nfs/dbraw/zinc/03/12/32/506031232.db2.gz NKBJEGFAKPKPRT-UHFFFAOYSA-N 1 1 364.858 3.104 20 30 FGEDMO C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C)OCC ZINC000361799200 498432992 /nfs/dbraw/zinc/43/29/92/498432992.db2.gz MOYHXSXRNNIVLE-JLSDUUJJSA-N 1 1 365.543 3.149 20 30 FGEDMO N#Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000302231827 498453635 /nfs/dbraw/zinc/45/36/35/498453635.db2.gz YVESHIAQOXETJZ-GOSISDBHSA-N 1 1 366.421 3.035 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2cccc(OCC#N)c2)[C@H]1c1cccs1 ZINC000362063321 498459706 /nfs/dbraw/zinc/45/97/06/498459706.db2.gz FOWZXAAMNJCHIF-JXFKEZNVSA-N 1 1 369.490 3.002 20 30 FGEDMO Cc1nsc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000297517645 498477899 /nfs/dbraw/zinc/47/78/99/498477899.db2.gz WKTNIPPTTWQFOQ-INIZCTEOSA-N 1 1 369.494 3.309 20 30 FGEDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2Cc2ccccc2C(C)(C)C#N)O1 ZINC000282361277 498480641 /nfs/dbraw/zinc/48/06/41/498480641.db2.gz DIWISFZRFNXVPD-VLQPXKRTSA-N 1 1 356.466 3.171 20 30 FGEDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1c(C#N)cnc2ccccc21 ZINC000302429254 498482561 /nfs/dbraw/zinc/48/25/61/498482561.db2.gz KVMDVDFSDLDAHZ-QHCPKHFHSA-N 1 1 372.472 3.180 20 30 FGEDMO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000572739763 506041402 /nfs/dbraw/zinc/04/14/02/506041402.db2.gz YVIOSNOLPRGPCQ-UHFFFAOYSA-N 1 1 372.476 3.078 20 30 FGEDMO Cc1cc([NH+]2CCCC2)ccc1NCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000572751958 506044098 /nfs/dbraw/zinc/04/40/98/506044098.db2.gz WXYGSHIKISCCTI-UHFFFAOYSA-N 1 1 369.490 3.353 20 30 FGEDMO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n[nH]1 ZINC000331962701 498515146 /nfs/dbraw/zinc/51/51/46/498515146.db2.gz VCPBVQCZQVTJAL-ZDUSSCGKSA-N 1 1 371.872 3.450 20 30 FGEDMO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)[nH]n1 ZINC000331962701 498515152 /nfs/dbraw/zinc/51/51/52/498515152.db2.gz VCPBVQCZQVTJAL-ZDUSSCGKSA-N 1 1 371.872 3.450 20 30 FGEDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccn1Cc1ccccc1C#N)C[C@@H](C)O2 ZINC000365556339 498531092 /nfs/dbraw/zinc/53/10/92/498531092.db2.gz PITRNLHDKOQULA-JBYIUTFZSA-N 1 1 365.477 3.176 20 30 FGEDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccn1Cc1ccccc1C#N)C[C@@H](C)O2 ZINC000365556339 498531097 /nfs/dbraw/zinc/53/10/97/498531097.db2.gz PITRNLHDKOQULA-JBYIUTFZSA-N 1 1 365.477 3.176 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C(N)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000297744623 498555326 /nfs/dbraw/zinc/55/53/26/498555326.db2.gz CSEAQWAUUIHIME-ZDUSSCGKSA-N 1 1 370.478 3.130 20 30 FGEDMO C[C@H](NCc1ccncc1OCCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000290464715 498562667 /nfs/dbraw/zinc/56/26/67/498562667.db2.gz WRMAXEINXIBZHJ-KRWDZBQOSA-N 1 1 368.481 3.165 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(CNc3c(C#N)cccc3C#N)cc2)CC1 ZINC000302844011 498598757 /nfs/dbraw/zinc/59/87/57/498598757.db2.gz NEESGPWBLZNRRT-UHFFFAOYSA-N 1 1 359.477 3.180 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000569988564 506063302 /nfs/dbraw/zinc/06/33/02/506063302.db2.gz RMRJRVVOGMVJNN-KRWDZBQOSA-N 1 1 367.415 3.264 20 30 FGEDMO Cn1cc(C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)cc1C#N ZINC000282785049 498652186 /nfs/dbraw/zinc/65/21/86/498652186.db2.gz WAGDMWPZQQFCAR-CQSZACIVSA-N 1 1 350.191 3.022 20 30 FGEDMO CC[C@H](Nc1nccc(C#N)c1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000579020547 506075819 /nfs/dbraw/zinc/07/58/19/506075819.db2.gz GHVYUCGVQVPWOE-ZWKOTPCHSA-N 1 1 370.884 3.120 20 30 FGEDMO CC[C@H](Nc1nccc(C#N)c1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000579020547 506075822 /nfs/dbraw/zinc/07/58/22/506075822.db2.gz GHVYUCGVQVPWOE-ZWKOTPCHSA-N 1 1 370.884 3.120 20 30 FGEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000303649951 498701181 /nfs/dbraw/zinc/70/11/81/498701181.db2.gz UDIBWDHQRFNTFW-LEWJYISDSA-N 1 1 350.462 3.314 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298260657 498712496 /nfs/dbraw/zinc/71/24/96/498712496.db2.gz MKJLUEFNTWRXPG-RPVQJOFSSA-N 1 1 365.399 3.438 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298260657 498712501 /nfs/dbraw/zinc/71/25/01/498712501.db2.gz MKJLUEFNTWRXPG-RPVQJOFSSA-N 1 1 365.399 3.438 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1OCCCC#N ZINC000290897648 498716152 /nfs/dbraw/zinc/71/61/52/498716152.db2.gz LVLGCUZBLJNUKF-GOSISDBHSA-N 1 1 354.454 3.330 20 30 FGEDMO C=CCN(Cc1ncc([C@H](C)O)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366001931 498726673 /nfs/dbraw/zinc/72/66/73/498726673.db2.gz AXZCQDLCSXZADQ-FUHWJXTLSA-N 1 1 357.523 3.459 20 30 FGEDMO C=CCOCCCC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000363278961 498743132 /nfs/dbraw/zinc/74/31/32/498743132.db2.gz UNHKPNVDGZVZEE-UHFFFAOYSA-N 1 1 365.543 3.017 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccc(Cl)c1 ZINC000363360018 498779625 /nfs/dbraw/zinc/77/96/25/498779625.db2.gz BJDHWFCZDFWCIH-MAUKXSAKSA-N 1 1 356.857 3.353 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)Cc3cccc(C#N)c3)C2)s1 ZINC000570100381 506090809 /nfs/dbraw/zinc/09/08/09/506090809.db2.gz NMOCHPTYVMRTMC-IBGZPJMESA-N 1 1 367.518 3.451 20 30 FGEDMO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000298537726 498804830 /nfs/dbraw/zinc/80/48/30/498804830.db2.gz VYDVJKDRTAFKBB-LPHOPBHVSA-N 1 1 358.461 3.125 20 30 FGEDMO N#CC[C@@H]1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000298537726 498804837 /nfs/dbraw/zinc/80/48/37/498804837.db2.gz VYDVJKDRTAFKBB-LPHOPBHVSA-N 1 1 358.461 3.125 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000332876833 498821010 /nfs/dbraw/zinc/82/10/10/498821010.db2.gz KNUWQWMYQJCIRW-WMZOPIPTSA-N 1 1 365.481 3.014 20 30 FGEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000581976561 506103552 /nfs/dbraw/zinc/10/35/52/506103552.db2.gz OJCJDBYFYTVWEG-QGZVFWFLSA-N 1 1 372.513 3.231 20 30 FGEDMO N#Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nc2ccccc12 ZINC000581981792 506105221 /nfs/dbraw/zinc/10/52/21/506105221.db2.gz RZNNMJQDGFJGNO-HXUWFJFHSA-N 1 1 372.472 3.097 20 30 FGEDMO CCN(Cc1noc(C)n1)[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000328625814 498879802 /nfs/dbraw/zinc/87/98/02/498879802.db2.gz DMVRUVZJUPDBGO-IBGZPJMESA-N 1 1 353.470 3.126 20 30 FGEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000283433014 498883436 /nfs/dbraw/zinc/88/34/36/498883436.db2.gz YKCQEEKVLZPKKE-SFHVURJKSA-N 1 1 368.529 3.393 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328645806 498888394 /nfs/dbraw/zinc/88/83/94/498888394.db2.gz AWDHIKOIHQLXOG-GFOFROLCSA-N 1 1 352.862 3.178 20 30 FGEDMO C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)[NH+]1CCN(c2ccccc2)CC1 ZINC000328688236 498902641 /nfs/dbraw/zinc/90/26/41/498902641.db2.gz ZRCJXSPVZIEPAE-QZTJIDSGSA-N 1 1 372.513 3.443 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000328733346 498919205 /nfs/dbraw/zinc/91/92/05/498919205.db2.gz HQNRYILSCKVSQX-DOTOQJQBSA-N 1 1 368.399 3.352 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccnc(OCc4ccccc4)c3)[C@H]2C1 ZINC000328733211 498919633 /nfs/dbraw/zinc/91/96/33/498919633.db2.gz XWVOJCKSCVOPBF-MJGOQNOKSA-N 1 1 366.465 3.232 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)C[NH+]3C[C@H](C)C[C@@H](C)C3)C2)n[nH]1 ZINC000328745490 498923979 /nfs/dbraw/zinc/92/39/79/498923979.db2.gz PJAJDEMOXNRJPF-JOCBIADPSA-N 1 1 361.534 3.178 20 30 FGEDMO COc1ccccc1C1(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000328750709 498924979 /nfs/dbraw/zinc/92/49/79/498924979.db2.gz MVDCNWHIRUBEHK-UHFFFAOYSA-N 1 1 354.454 3.086 20 30 FGEDMO Cc1nc2cccc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)c2[nH]1 ZINC000283617119 498938774 /nfs/dbraw/zinc/93/87/74/498938774.db2.gz ZYJUKVGARWODAZ-UHFFFAOYSA-N 1 1 373.460 3.091 20 30 FGEDMO C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328826100 498951366 /nfs/dbraw/zinc/95/13/66/498951366.db2.gz QDHGOUOZSUYBNX-BGRCLHOASA-N 1 1 369.465 3.073 20 30 FGEDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c2n[nH]cc21 ZINC000328844082 498958139 /nfs/dbraw/zinc/95/81/39/498958139.db2.gz VBSFKOQCXOBSNR-UHFFFAOYSA-N 1 1 352.442 3.105 20 30 FGEDMO C[C@H](CNC(=O)C[C@H]1CCCCNC1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000328853076 498962007 /nfs/dbraw/zinc/96/20/07/498962007.db2.gz JBWZIKFTZVAZTF-QZTJIDSGSA-N 1 1 372.513 3.300 20 30 FGEDMO CCc1noc2ncc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)cc12 ZINC000328876105 498969610 /nfs/dbraw/zinc/96/96/10/498969610.db2.gz GECHETXULVLUGN-UHFFFAOYSA-N 1 1 372.469 3.125 20 30 FGEDMO CN1C(=O)c2ccc(NC(=O)C[N@H+]3CC(C)(C)[C@@H]4CCC[C@H]43)cc2C1=O ZINC000328876295 498969736 /nfs/dbraw/zinc/96/97/36/498969736.db2.gz SKJANPZCFNNEJG-HZPDHXFCSA-N 1 1 355.438 3.011 20 30 FGEDMO Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000328896833 498977971 /nfs/dbraw/zinc/97/79/71/498977971.db2.gz CGAXYPGXWCASTB-SOLBZPMBSA-N 1 1 362.518 3.212 20 30 FGEDMO C[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@H](CC(N)=O)c1ccccc1 ZINC000366566931 498981134 /nfs/dbraw/zinc/98/11/34/498981134.db2.gz AXCHYADSTJFVHL-GOSISDBHSA-N 1 1 360.417 3.262 20 30 FGEDMO C[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@H](CC(N)=O)c1ccccc1 ZINC000366566931 498981140 /nfs/dbraw/zinc/98/11/40/498981140.db2.gz AXCHYADSTJFVHL-GOSISDBHSA-N 1 1 360.417 3.262 20 30 FGEDMO C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1Cl ZINC000328948372 498995681 /nfs/dbraw/zinc/99/56/81/498995681.db2.gz HAOLCKQPZOWSOT-OWQGQXMQSA-N 1 1 352.862 3.180 20 30 FGEDMO C#CCC(CC#C)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000288338293 498997965 /nfs/dbraw/zinc/99/79/65/498997965.db2.gz VRDZOKLCABWZGQ-OAQYLSRUSA-N 1 1 374.488 3.240 20 30 FGEDMO C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1nnc2n1CCCC2 ZINC000328962441 498999944 /nfs/dbraw/zinc/99/99/44/498999944.db2.gz LCRUKNNBQCQJLX-SOLBZPMBSA-N 1 1 367.497 3.400 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2F)CCNC3=O)C[C@H]1C ZINC000328969135 499001841 /nfs/dbraw/zinc/00/18/41/499001841.db2.gz APCRTRCFMYTNFC-OLZOCXBDSA-N 1 1 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C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000329038327 499023092 /nfs/dbraw/zinc/02/30/92/499023092.db2.gz NMOLCLXQRMQZEV-MJKGWSOKSA-N 1 1 352.519 3.164 20 30 FGEDMO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000329045031 499024021 /nfs/dbraw/zinc/02/40/21/499024021.db2.gz FMNNNAFOVDUVTL-LKZHAKSLSA-N 1 1 363.502 3.059 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000329093976 499039236 /nfs/dbraw/zinc/03/92/36/499039236.db2.gz BDFLHWRQDIVJOB-CQSZACIVSA-N 1 1 361.442 3.472 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000295603973 499061688 /nfs/dbraw/zinc/06/16/88/499061688.db2.gz XMUINHKZWQAOMN-PKOBYXMFSA-N 1 1 357.498 3.113 20 30 FGEDMO COc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1OCCCC#N ZINC000299447829 499061981 /nfs/dbraw/zinc/06/19/81/499061981.db2.gz NNUWTTMDBPGHCP-UHFFFAOYSA-N 1 1 357.498 3.484 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295655279 499072400 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UAZOUEWPCDFOAU-APWZRJJASA-N 1 1 364.497 3.169 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CC(=O)N[C@H](C)C3)cc2)CC1 ZINC000329341088 499103380 /nfs/dbraw/zinc/10/33/80/499103380.db2.gz OSUFUNALSIKDDC-APWZRJJASA-N 1 1 372.513 3.036 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)sc2C1 ZINC000329357743 499108113 /nfs/dbraw/zinc/10/81/13/499108113.db2.gz AQKIVFRXUBVLCJ-DLTLXFJOSA-N 1 1 373.522 3.425 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(c3cnccn3)CC2)c(Br)c1 ZINC000366911486 499113502 /nfs/dbraw/zinc/11/35/02/499113502.db2.gz MFUOYUUTJFHUJZ-UHFFFAOYSA-N 1 1 357.255 3.490 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1C ZINC000366951214 499121301 /nfs/dbraw/zinc/12/13/01/499121301.db2.gz JMYQMCRFAPUFJI-PMACEKPBSA-N 1 1 355.482 3.194 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]34)cc2)C1 ZINC000329450962 499123372 /nfs/dbraw/zinc/12/33/72/499123372.db2.gz DQTPNROCLIUNGL-UMSONDCASA-N 1 1 372.509 3.427 20 30 FGEDMO C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccc(Cl)cn1 ZINC000329523538 499129107 /nfs/dbraw/zinc/12/91/07/499129107.db2.gz RRFHKNUMJMFQKR-CYBMUJFWSA-N 1 1 361.877 3.398 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000367028231 499136126 /nfs/dbraw/zinc/13/61/26/499136126.db2.gz VCEPMDWKDOYBNH-KRWDZBQOSA-N 1 1 351.454 3.286 20 30 FGEDMO C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367209326 499161854 /nfs/dbraw/zinc/16/18/54/499161854.db2.gz OPUOSRADNQKTSQ-AEFFLSMTSA-N 1 1 367.493 3.048 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccc(F)c(C#N)c3)[C@@H](C)C2)s1 ZINC000367399097 499194508 /nfs/dbraw/zinc/19/45/08/499194508.db2.gz NCBVKUQMXWSDGU-SGTLLEGYSA-N 1 1 372.469 3.103 20 30 FGEDMO C=CCOc1ccc(C[N@@H+](C)C2CCN(c3ncccn3)CC2)cc1OC ZINC000367467480 499202843 /nfs/dbraw/zinc/20/28/43/499202843.db2.gz PIPNZDKOLJCPFV-UHFFFAOYSA-N 1 1 368.481 3.151 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000367477491 499203819 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360.504 3.271 20 30 FGEDMO C[C@@H]1C[C@@H](c2ccsc2)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000371099749 499288426 /nfs/dbraw/zinc/28/84/26/499288426.db2.gz MAZZRQZONLKRDL-RHSMWYFYSA-N 1 1 360.504 3.271 20 30 FGEDMO C[C@H]1C[C@H](c2cccs2)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000371102662 499288548 /nfs/dbraw/zinc/28/85/48/499288548.db2.gz XQGGHOYWIPFYKK-HOCLYGCPSA-N 1 1 360.504 3.271 20 30 FGEDMO C[C@H]1C[C@H](c2cccs2)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000371102662 499288549 /nfs/dbraw/zinc/28/85/49/499288549.db2.gz XQGGHOYWIPFYKK-HOCLYGCPSA-N 1 1 360.504 3.271 20 30 FGEDMO CC[N@@H+](C)[C@@H](C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)c1ccccc1 ZINC000371249218 499302310 /nfs/dbraw/zinc/30/23/10/499302310.db2.gz YYMNLRRLHZUQEH-OAQYLSRUSA-N 1 1 373.460 3.258 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368613947 499313927 /nfs/dbraw/zinc/31/39/27/499313927.db2.gz OJXMOISDOBYRAP-AZUAARDMSA-N 1 1 362.477 3.281 20 30 FGEDMO N#CCCCCNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368614270 499313989 /nfs/dbraw/zinc/31/39/89/499313989.db2.gz PGZFBAROONNTIX-VAMGGRTRSA-N 1 1 354.498 3.280 20 30 FGEDMO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000371385929 499318771 /nfs/dbraw/zinc/31/87/71/499318771.db2.gz ZRVSFGPSRKWGPI-NRFANRHFSA-N 1 1 366.513 3.300 20 30 FGEDMO Cc1ccncc1C1=CC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000368841343 499338451 /nfs/dbraw/zinc/33/84/51/499338451.db2.gz DUVAGUKJFBJCMA-UHFFFAOYSA-N 1 1 352.463 3.441 20 30 FGEDMO Cc1ccccc1NC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000368900668 499344691 /nfs/dbraw/zinc/34/46/91/499344691.db2.gz HSHOELJHSCKHAD-UHFFFAOYSA-N 1 1 362.477 3.059 20 30 FGEDMO Cc1oc(NC(=O)CN2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c(C#N)c1C ZINC000369042603 499359747 /nfs/dbraw/zinc/35/97/47/499359747.db2.gz UPQWJTFNDSERRG-MRXNPFEDSA-N 1 1 369.469 3.364 20 30 FGEDMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000369342841 499393636 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N#Cc1ccc(Br)c(C[NH+]2CCC(c3cnccn3)CC2)c1 ZINC000375701228 499546977 /nfs/dbraw/zinc/54/69/77/499546977.db2.gz BJJFJOIGVSAQIM-UHFFFAOYSA-N 1 1 357.255 3.490 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000375839390 499560954 /nfs/dbraw/zinc/56/09/54/499560954.db2.gz MKUYZDPJPMDILH-UHFFFAOYSA-N 1 1 372.469 3.300 20 30 FGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(COC)n3)C2)cc1 ZINC000375850670 499561967 /nfs/dbraw/zinc/56/19/67/499561967.db2.gz PZORIJQXAMYCFP-IBGZPJMESA-N 1 1 365.477 3.405 20 30 FGEDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000408078476 499575734 /nfs/dbraw/zinc/57/57/34/499575734.db2.gz HXEJHPRWPQMBAA-RISCZKNCSA-N 1 1 352.360 3.277 20 30 FGEDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000376439139 499608801 /nfs/dbraw/zinc/60/88/01/499608801.db2.gz AXTKKFJJWDQANE-LEWJYISDSA-N 1 1 357.498 3.196 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CCc2ccc(OC)c(OC)c2)C1=O ZINC000410345266 499656305 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FGEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000411192109 499709019 /nfs/dbraw/zinc/70/90/19/499709019.db2.gz CRVBLVFZFYTXKO-QGZVFWFLSA-N 1 1 363.461 3.091 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000411192109 499709021 /nfs/dbraw/zinc/70/90/21/499709021.db2.gz CRVBLVFZFYTXKO-QGZVFWFLSA-N 1 1 363.461 3.091 20 30 FGEDMO Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000377843787 499741445 /nfs/dbraw/zinc/74/14/45/499741445.db2.gz RPZXUMALELOCSW-NHCUHLMSSA-N 1 1 372.472 3.317 20 30 FGEDMO CC[C@H](C)[N@@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411735185 499784238 /nfs/dbraw/zinc/78/42/38/499784238.db2.gz BVOYZASGLUGYON-KBPBESRZSA-N 1 1 363.527 3.166 20 30 FGEDMO CC[C@@H](C)[N@@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411735188 499784378 /nfs/dbraw/zinc/78/43/78/499784378.db2.gz BVOYZASGLUGYON-ZIAGYGMSSA-N 1 1 363.527 3.166 20 30 FGEDMO CC(C)([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cc(C(F)(F)F)on1 ZINC000411763772 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CSc1cccc([C@H]([NH2+]CC(=O)NCC#N)c2ccc(F)c(F)c2)c1 ZINC000425963938 500217592 /nfs/dbraw/zinc/21/75/92/500217592.db2.gz NVMJSVGERMLGLC-SFHVURJKSA-N 1 1 361.417 3.005 20 30 FGEDMO Cc1nsc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C#N ZINC000576563415 506187673 /nfs/dbraw/zinc/18/76/73/506187673.db2.gz VGJMBVNASJHODT-ZFWWWQNUSA-N 1 1 361.515 3.442 20 30 FGEDMO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422976174 500326130 /nfs/dbraw/zinc/32/61/30/500326130.db2.gz HXJMBYZAGVLLTJ-NBHGPNQESA-N 1 1 366.484 3.214 20 30 FGEDMO CN(C(=O)CNc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000426876237 500331891 /nfs/dbraw/zinc/33/18/91/500331891.db2.gz RXBCNGBWLYEJLA-OAQYLSRUSA-N 1 1 362.477 3.093 20 30 FGEDMO CCC[C@H]1CN(C(=O)NCC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000431199922 500348805 /nfs/dbraw/zinc/34/88/05/500348805.db2.gz VEPNKOKWDVGAMO-IBGZPJMESA-N 1 1 354.498 3.376 20 30 FGEDMO C[C@H]1C[C@@H](N(C)C(=O)NCC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000419628601 500386143 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1 1 356.514 3.458 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1[N+](=O)[O-] ZINC000599180135 506361798 /nfs/dbraw/zinc/36/17/98/506361798.db2.gz SOTUPDADLLZLKB-UHFFFAOYSA-N 1 1 361.405 3.270 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)CNC1CC[NH+](C2CCCC2)CC1 ZINC000515165836 503282688 /nfs/dbraw/zinc/28/26/88/503282688.db2.gz KKSATTXFTKQSBE-OAQYLSRUSA-N 1 1 358.526 3.151 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000491328660 503297421 /nfs/dbraw/zinc/29/74/21/503297421.db2.gz IQYRFGSVTUTKIH-UHFFFAOYSA-N 1 1 354.450 3.298 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000491328660 503297423 /nfs/dbraw/zinc/29/74/23/503297423.db2.gz IQYRFGSVTUTKIH-UHFFFAOYSA-N 1 1 354.450 3.298 20 30 FGEDMO N#Cc1cccc(F)c1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000507470710 503303728 /nfs/dbraw/zinc/30/37/28/503303728.db2.gz VOPCSLXPRADBET-UHFFFAOYSA-N 1 1 357.473 3.354 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000507674805 503344503 /nfs/dbraw/zinc/34/45/03/503344503.db2.gz VFIVQGABXXVUIS-OALUTQOASA-N 1 1 373.541 3.187 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000507674807 503344743 /nfs/dbraw/zinc/34/47/43/503344743.db2.gz VFIVQGABXXVUIS-RBUKOAKNSA-N 1 1 373.541 3.187 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000515502230 503353066 /nfs/dbraw/zinc/35/30/66/503353066.db2.gz ZXOLVALACTVFOU-RTWAWAEBSA-N 1 1 350.462 3.395 20 30 FGEDMO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507832374 503376630 /nfs/dbraw/zinc/37/66/30/503376630.db2.gz AGWVTBKTEUMIGD-UWJYYQICSA-N 1 1 369.509 3.439 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000499314957 503378203 /nfs/dbraw/zinc/37/82/03/503378203.db2.gz WBZIPCGEZCEXAF-SJLPKXTDSA-N 1 1 359.518 3.177 20 30 FGEDMO C=CCN1CC[C@H]([N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O ZINC000499597704 503439699 /nfs/dbraw/zinc/43/96/99/503439699.db2.gz FBQVFGQGYLBWQM-KRWDZBQOSA-N 1 1 368.308 3.292 20 30 FGEDMO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1noc(Cc2ccccc2)n1 ZINC000499623790 503445799 /nfs/dbraw/zinc/44/57/99/503445799.db2.gz FEVUFANKHXXYCN-INIZCTEOSA-N 1 1 354.454 3.412 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+]2CC=C(c3cccc(Br)c3)CC2)C1=O ZINC000499628689 503446221 /nfs/dbraw/zinc/44/62/21/503446221.db2.gz YVQWMJULHQFYGV-QGZVFWFLSA-N 1 1 361.283 3.325 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(c3cccc(Br)c3)CC2)C1=O ZINC000499628689 503446226 /nfs/dbraw/zinc/44/62/26/503446226.db2.gz YVQWMJULHQFYGV-QGZVFWFLSA-N 1 1 361.283 3.325 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1ccc(C)cc1C ZINC000512197092 503483377 /nfs/dbraw/zinc/48/33/77/503483377.db2.gz RVNCZIVCUMZXHA-GOSISDBHSA-N 1 1 359.466 3.207 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(F)c(F)cc3F)C2=O)cc1 ZINC000503949187 503496082 /nfs/dbraw/zinc/49/60/82/503496082.db2.gz XZVZBUTZGGSKGW-SFHVURJKSA-N 1 1 359.351 3.261 20 30 FGEDMO C=CCOc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1OC ZINC000516348482 503499011 /nfs/dbraw/zinc/49/90/11/503499011.db2.gz ZSZPXPQLRRHXBH-UHFFFAOYSA-N 1 1 357.429 3.116 20 30 FGEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508485860 503504043 /nfs/dbraw/zinc/50/40/43/503504043.db2.gz AIBAXTIDPMSVOK-GOSISDBHSA-N 1 1 371.504 3.362 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512287267 503510135 /nfs/dbraw/zinc/51/01/35/503510135.db2.gz SBTHGWIVRNTGHY-NFBKMPQASA-N 1 1 369.553 3.398 20 30 FGEDMO C[C@@H](CC#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000599222012 506377568 /nfs/dbraw/zinc/37/75/68/506377568.db2.gz SUWUWJHAPWCODV-CGTJXYLNSA-N 1 1 353.491 3.382 20 30 FGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000512432831 503548622 /nfs/dbraw/zinc/54/86/22/503548622.db2.gz ILVFUUOGZLTHMF-UZLBHIALSA-N 1 1 352.482 3.474 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000494545787 503561975 /nfs/dbraw/zinc/56/19/75/503561975.db2.gz XMHNYBDAYZKRQZ-RBBKRZOGSA-N 1 1 367.489 3.137 20 30 FGEDMO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000508907196 503596997 /nfs/dbraw/zinc/59/69/97/503596997.db2.gz LBKUJMYHMHYAAQ-SFHVURJKSA-N 1 1 373.932 3.485 20 30 FGEDMO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)C1=O ZINC000512661246 503606210 /nfs/dbraw/zinc/60/62/10/503606210.db2.gz QNUPSOHDRTYCBY-DYVFJYSZSA-N 1 1 353.397 3.162 20 30 FGEDMO N#Cc1cccc(F)c1CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000512929426 503658654 /nfs/dbraw/zinc/65/86/54/503658654.db2.gz AQUMPHZTBXUXCP-GOSISDBHSA-N 1 1 351.425 3.021 20 30 FGEDMO C[C@@H]([NH2+][C@H](C)c1nc(-c2ccccc2)cs1)C(=O)NC1(C#N)CCC1 ZINC000527050034 503659900 /nfs/dbraw/zinc/65/99/00/503659900.db2.gz CNKYONBEJVQQQS-ZIAGYGMSSA-N 1 1 354.479 3.412 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000532934959 503664580 /nfs/dbraw/zinc/66/45/80/503664580.db2.gz NXCDORSGUIAZGD-UHFFFAOYSA-N 1 1 354.498 3.387 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000532934959 503664586 /nfs/dbraw/zinc/66/45/86/503664586.db2.gz NXCDORSGUIAZGD-UHFFFAOYSA-N 1 1 354.498 3.387 20 30 FGEDMO N#CCn1c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc2ccccc21 ZINC000529718085 503676356 /nfs/dbraw/zinc/67/63/56/503676356.db2.gz JCXHDPNEJFHBDW-GOSISDBHSA-N 1 1 350.466 3.302 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCN(CC(F)F)[C@H](CC)C2)cc1OC ZINC000536697384 503686513 /nfs/dbraw/zinc/68/65/13/503686513.db2.gz JBNSCTXJHCEEEX-MRXNPFEDSA-N 1 1 354.441 3.421 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCN(CC(F)F)[C@H](CC)C2)cc1OC ZINC000536697384 503686517 /nfs/dbraw/zinc/68/65/17/503686517.db2.gz JBNSCTXJHCEEEX-MRXNPFEDSA-N 1 1 354.441 3.421 20 30 FGEDMO CC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495201770 503699093 /nfs/dbraw/zinc/69/90/93/503699093.db2.gz LVKMWUVKCMOJNU-DJJJIMSYSA-N 1 1 361.511 3.062 20 30 FGEDMO CC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495201770 503699097 /nfs/dbraw/zinc/69/90/97/503699097.db2.gz LVKMWUVKCMOJNU-DJJJIMSYSA-N 1 1 361.511 3.062 20 30 FGEDMO CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495206913 503699821 /nfs/dbraw/zinc/69/98/21/503699821.db2.gz AKXWSBRIUHFMIZ-IBGZPJMESA-N 1 1 361.511 3.064 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000527159714 503700776 /nfs/dbraw/zinc/70/07/76/503700776.db2.gz ZYSRSJFTERMJMD-NHCUHLMSSA-N 1 1 371.525 3.418 20 30 FGEDMO N#CCC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000533048155 503712452 /nfs/dbraw/zinc/71/24/52/503712452.db2.gz LKISCXOSKOPXEK-SFTDATJTSA-N 1 1 362.477 3.455 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533053671 503715663 /nfs/dbraw/zinc/71/56/63/503715663.db2.gz TWRXUOPJZJLTHM-YZLZLFLDSA-N 1 1 354.498 3.222 20 30 FGEDMO C=CC[C@@H](CO)CNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000540386324 503755041 /nfs/dbraw/zinc/75/50/41/503755041.db2.gz PISBTCUSUONGKP-CEXWTWQISA-N 1 1 373.541 3.148 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)NC1(C#N)CCC1 ZINC000527302665 503757587 /nfs/dbraw/zinc/75/75/87/503757587.db2.gz RTQABYGQOWSSJY-NWDGAFQWSA-N 1 1 361.396 3.033 20 30 FGEDMO C=CCn1c(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1cccc(C)c1 ZINC000537071690 503793173 /nfs/dbraw/zinc/79/31/73/503793173.db2.gz DDADSEULWQRHRE-HDICACEKSA-N 1 1 370.522 3.395 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000533303653 503799829 /nfs/dbraw/zinc/79/98/29/503799829.db2.gz LKQSZPZQNQCSJE-WBVHZDCISA-N 1 1 372.538 3.045 20 30 FGEDMO C[C@H](c1ccc(-c2ccc(F)cc2C#N)cc1)N1CC[NH+](CCO)CC1 ZINC000527588475 503844673 /nfs/dbraw/zinc/84/46/73/503844673.db2.gz JQORBKPQAZDFGZ-MRXNPFEDSA-N 1 1 353.441 3.035 20 30 FGEDMO CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC#N)CC2)c1 ZINC000543806867 503899367 /nfs/dbraw/zinc/89/93/67/503899367.db2.gz IIPDKYLRHJSDBN-INIZCTEOSA-N 1 1 370.497 3.121 20 30 FGEDMO C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000527743483 503924994 /nfs/dbraw/zinc/92/49/94/503924994.db2.gz GIVAOUHUAWAQII-QGZVFWFLSA-N 1 1 351.450 3.379 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000527844998 503970500 /nfs/dbraw/zinc/97/05/00/503970500.db2.gz HGKNGYOCWHTUNH-IBGZPJMESA-N 1 1 353.853 3.492 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000527844998 503970505 /nfs/dbraw/zinc/97/05/05/503970505.db2.gz HGKNGYOCWHTUNH-IBGZPJMESA-N 1 1 353.853 3.492 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(CC#N)CC1 ZINC000541021205 503976798 /nfs/dbraw/zinc/97/67/98/503976798.db2.gz VVWAGGZNPRQJMB-LBPRGKRZSA-N 1 1 350.260 3.402 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000533926121 503992310 /nfs/dbraw/zinc/99/23/10/503992310.db2.gz IXFVJHXAFAUKCT-BJZITVGISA-N 1 1 363.889 3.236 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000533926121 503992314 /nfs/dbraw/zinc/99/23/14/503992314.db2.gz IXFVJHXAFAUKCT-BJZITVGISA-N 1 1 363.889 3.236 20 30 FGEDMO Cc1c(Cl)cnc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1C#N ZINC000544068865 503995661 /nfs/dbraw/zinc/99/56/61/503995661.db2.gz BXTOADRQFDINSE-AWEZNQCLSA-N 1 1 370.884 3.170 20 30 FGEDMO Cc1c(Cl)cnc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1C#N ZINC000544068865 503995672 /nfs/dbraw/zinc/99/56/72/503995672.db2.gz BXTOADRQFDINSE-AWEZNQCLSA-N 1 1 370.884 3.170 20 30 FGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000534172947 504061339 /nfs/dbraw/zinc/06/13/39/504061339.db2.gz JGIWSKBMJNOKSP-INIZCTEOSA-N 1 1 351.450 3.316 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1 ZINC000528079321 504062280 /nfs/dbraw/zinc/06/22/80/504062280.db2.gz DZMHKBYQSKRMTH-NJYVYQBISA-N 1 1 366.509 3.212 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1)C1CC1 ZINC000530764437 504080756 /nfs/dbraw/zinc/08/07/56/504080756.db2.gz XEACORMKHFAXKO-FCHUYYIVSA-N 1 1 351.494 3.165 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CC(=O)NCCc2c(F)cccc2F)C2CC2)cc1 ZINC000541319597 504088114 /nfs/dbraw/zinc/08/81/14/504088114.db2.gz LWMMUNXCSDQMBU-UHFFFAOYSA-N 1 1 369.415 3.160 20 30 FGEDMO N#Cc1ccc(C[N@H+](CC(=O)NCCc2c(F)cccc2F)C2CC2)cc1 ZINC000541319597 504088120 /nfs/dbraw/zinc/08/81/20/504088120.db2.gz LWMMUNXCSDQMBU-UHFFFAOYSA-N 1 1 369.415 3.160 20 30 FGEDMO N#Cc1ccccc1-c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000538068518 504127220 /nfs/dbraw/zinc/12/72/20/504127220.db2.gz VIQRJKWEKAJXRL-LJQANCHMSA-N 1 1 360.461 3.261 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000544535873 504165448 /nfs/dbraw/zinc/16/54/48/504165448.db2.gz LNQBUAYMEHJAAW-IRXDYDNUSA-N 1 1 370.497 3.057 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000544546634 504169329 /nfs/dbraw/zinc/16/93/29/504169329.db2.gz BQFGSTKCIXTLMV-IOBOIYPZSA-N 1 1 361.530 3.197 20 30 FGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000538248350 504176940 /nfs/dbraw/zinc/17/69/40/504176940.db2.gz CXZWYNONSGXUJB-OAQYLSRUSA-N 1 1 362.477 3.285 20 30 FGEDMO C=CCOc1cccnc1C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000538254092 504178227 /nfs/dbraw/zinc/17/82/27/504178227.db2.gz KXQZEBQSQFKWCZ-MSOLQXFVSA-N 1 1 365.477 3.381 20 30 FGEDMO C=CCOc1cccnc1C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000538254092 504178232 /nfs/dbraw/zinc/17/82/32/504178232.db2.gz KXQZEBQSQFKWCZ-MSOLQXFVSA-N 1 1 365.477 3.381 20 30 FGEDMO C=CCOc1cccnc1C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000538270280 504182899 /nfs/dbraw/zinc/18/28/99/504182899.db2.gz PJMJTSVZQFWOCT-FUHWJXTLSA-N 1 1 351.450 3.039 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000547837982 504243183 /nfs/dbraw/zinc/24/31/83/504243183.db2.gz GSEYLLJJZNLRIY-JTSKRJEESA-N 1 1 367.493 3.239 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000547837982 504243188 /nfs/dbraw/zinc/24/31/88/504243188.db2.gz GSEYLLJJZNLRIY-JTSKRJEESA-N 1 1 367.493 3.239 20 30 FGEDMO Cc1ccccc1[C@@]1(F)CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528485969 504243461 /nfs/dbraw/zinc/24/34/61/504243461.db2.gz DMJHEILOJDNEHP-WIYYLYMNSA-N 1 1 354.425 3.177 20 30 FGEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528485969 504243469 /nfs/dbraw/zinc/24/34/69/504243469.db2.gz DMJHEILOJDNEHP-WIYYLYMNSA-N 1 1 354.425 3.177 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC000534844198 504257215 /nfs/dbraw/zinc/25/72/15/504257215.db2.gz HXUVQUUPBCMUSJ-FHWLQOOXSA-N 1 1 357.498 3.031 20 30 FGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1O ZINC000534864000 504264441 /nfs/dbraw/zinc/26/44/41/504264441.db2.gz QGRPLEPHXTVGTL-WOJBJXKFSA-N 1 1 366.461 3.349 20 30 FGEDMO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000519729445 504318109 /nfs/dbraw/zinc/31/81/09/504318109.db2.gz SLDTURCEXVCFGC-OAHLLOKOSA-N 1 1 362.433 3.154 20 30 FGEDMO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000519729445 504318116 /nfs/dbraw/zinc/31/81/16/504318116.db2.gz SLDTURCEXVCFGC-OAHLLOKOSA-N 1 1 362.433 3.154 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000538713653 504338023 /nfs/dbraw/zinc/33/80/23/504338023.db2.gz DEENBTFZFMNLQR-HKUYNNGSSA-N 1 1 370.403 3.185 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000538713653 504338025 /nfs/dbraw/zinc/33/80/25/504338025.db2.gz DEENBTFZFMNLQR-HKUYNNGSSA-N 1 1 370.403 3.185 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000531547861 504342972 /nfs/dbraw/zinc/34/29/72/504342972.db2.gz AUPBTUCDVOKLLL-UYAOXDASSA-N 1 1 355.482 3.051 20 30 FGEDMO N#Cc1cnccc1NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000548153754 504349869 /nfs/dbraw/zinc/34/98/69/504349869.db2.gz NZTVZPABUWMFDJ-UHFFFAOYSA-N 1 1 360.383 3.470 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1C#N ZINC000535206713 504373639 /nfs/dbraw/zinc/37/36/39/504373639.db2.gz OYLVMAVNWRCZNE-GOSISDBHSA-N 1 1 364.445 3.384 20 30 FGEDMO Cn1c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)nnc1-c1ccccc1 ZINC000528778502 504376494 /nfs/dbraw/zinc/37/64/94/504376494.db2.gz JJNMNDKMPOAIHC-UHFFFAOYSA-N 1 1 373.460 3.149 20 30 FGEDMO C=CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531661828 504383118 /nfs/dbraw/zinc/38/31/18/504383118.db2.gz JFYJLHTZMKIQMV-RTWAWAEBSA-N 1 1 371.525 3.070 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000545295760 504433452 /nfs/dbraw/zinc/43/34/52/504433452.db2.gz YENQMXBPQJSJCT-SFHVURJKSA-N 1 1 364.449 3.353 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CCc1ccccc1O ZINC000542317175 504447990 /nfs/dbraw/zinc/44/79/90/504447990.db2.gz BVPHAURPUZKTDX-BQIYRTECSA-N 1 1 357.498 3.186 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCc1ccccc1O ZINC000542317175 504447994 /nfs/dbraw/zinc/44/79/94/504447994.db2.gz BVPHAURPUZKTDX-BQIYRTECSA-N 1 1 357.498 3.186 20 30 FGEDMO CC(C)[N@@H+](CC(=O)NCCO[C@@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000531898008 504463546 /nfs/dbraw/zinc/46/35/46/504463546.db2.gz RTMZGWOTWHSKHJ-WIYYLYMNSA-N 1 1 371.525 3.480 20 30 FGEDMO CC[N@@H+](CCC1CCN(S(=O)(=O)CCCCC#N)CC1)CC(C)C ZINC000539115235 504479064 /nfs/dbraw/zinc/47/90/64/504479064.db2.gz NFPZUFYNVHRKFE-UHFFFAOYSA-N 1 1 357.564 3.090 20 30 FGEDMO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000545559943 504526536 /nfs/dbraw/zinc/52/65/36/504526536.db2.gz HMKDLKACNDTODL-UHFFFAOYSA-N 1 1 355.482 3.202 20 30 FGEDMO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000545559943 504526537 /nfs/dbraw/zinc/52/65/37/504526537.db2.gz HMKDLKACNDTODL-UHFFFAOYSA-N 1 1 355.482 3.202 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532125229 504542700 /nfs/dbraw/zinc/54/27/00/504542700.db2.gz PBAXYPRJBXUTRJ-KRWDZBQOSA-N 1 1 374.481 3.389 20 30 FGEDMO C[C@H](c1cccc(NCc2cnc3ccc(C#N)cn23)c1)[NH+]1CCOCC1 ZINC000535835785 504560507 /nfs/dbraw/zinc/56/05/07/504560507.db2.gz ORHLJYJXDWRFIJ-MRXNPFEDSA-N 1 1 361.449 3.211 20 30 FGEDMO C[C@@H]1[C@H](C)N(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[N@@H+]1C ZINC000542649295 504564126 /nfs/dbraw/zinc/56/41/26/504564126.db2.gz JNEHSJYMIJUNJQ-KGLIPLIRSA-N 1 1 369.494 3.162 20 30 FGEDMO CC1=CC[N@@H+](CCNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000545859267 504617394 /nfs/dbraw/zinc/61/73/94/504617394.db2.gz QCSUMTHQHOCBMN-UXHICEINSA-N 1 1 352.482 3.120 20 30 FGEDMO CC(=O)NCC[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCSCC1 ZINC000549078919 504676583 /nfs/dbraw/zinc/67/65/83/504676583.db2.gz OGLXHIYZPDDPJR-UHFFFAOYSA-N 1 1 350.915 3.025 20 30 FGEDMO CC1CC(C#N)(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000532528554 504683850 /nfs/dbraw/zinc/68/38/50/504683850.db2.gz VKAUEDSMDOYJIM-IHWTVUROSA-N 1 1 351.494 3.439 20 30 FGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000532571851 504695834 /nfs/dbraw/zinc/69/58/34/504695834.db2.gz HTKPZXLRVFLDGP-LSDHHAIUSA-N 1 1 352.400 3.294 20 30 FGEDMO N#CCc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1 ZINC000521307314 504706543 /nfs/dbraw/zinc/70/65/43/504706543.db2.gz CDKPBRJAVZODFX-QFIPXVFZSA-N 1 1 359.473 3.302 20 30 FGEDMO N#CCc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1 ZINC000521307314 504706545 /nfs/dbraw/zinc/70/65/45/504706545.db2.gz CDKPBRJAVZODFX-QFIPXVFZSA-N 1 1 359.473 3.302 20 30 FGEDMO O[C@H]([C@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000532606373 504709613 /nfs/dbraw/zinc/70/96/13/504709613.db2.gz DFCMTXGAAOZEGC-ZIAGYGMSSA-N 1 1 367.289 3.324 20 30 FGEDMO O[C@H]([C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000532606373 504709619 /nfs/dbraw/zinc/70/96/19/504709619.db2.gz DFCMTXGAAOZEGC-ZIAGYGMSSA-N 1 1 367.289 3.324 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000532624909 504714683 /nfs/dbraw/zinc/71/46/83/504714683.db2.gz HOTYKMYOOSOYFT-OAHLLOKOSA-N 1 1 356.495 3.238 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000532685190 504735835 /nfs/dbraw/zinc/73/58/35/504735835.db2.gz ZGPGNKDXOOBFTG-FVOGYEMRSA-N 1 1 368.525 3.492 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]3CCOC3)C1)CCC2 ZINC000532747769 504751267 /nfs/dbraw/zinc/75/12/67/504751267.db2.gz DRUNHACDAVNDJZ-LSDHHAIUSA-N 1 1 373.522 3.186 20 30 FGEDMO C=CCCOCCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536520266 504753539 /nfs/dbraw/zinc/75/35/39/504753539.db2.gz UTCKXUVUMFNTDS-UHFFFAOYSA-N 1 1 371.525 3.277 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3cnn(Cc4ccccc4)c3)CC2)cc1 ZINC000536631041 504771662 /nfs/dbraw/zinc/77/16/62/504771662.db2.gz WOWAKGKTBCYHGT-UHFFFAOYSA-N 1 1 371.488 3.121 20 30 FGEDMO N#Cc1ccc(CC(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000552869991 504778638 /nfs/dbraw/zinc/77/86/38/504778638.db2.gz AGGYKHDCXWOQCA-HXUWFJFHSA-N 1 1 359.429 3.341 20 30 FGEDMO C=C(C)Cn1c(CC)nnc1N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000549327933 504792398 /nfs/dbraw/zinc/79/23/98/504792398.db2.gz SBYUBNHDFDHQRB-UHFFFAOYSA-N 1 1 359.543 3.363 20 30 FGEDMO C=CCOCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000559149966 504792734 /nfs/dbraw/zinc/79/27/34/504792734.db2.gz PKTZRSDRCYTWFW-QGZVFWFLSA-N 1 1 354.454 3.044 20 30 FGEDMO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)[C@@H]1C ZINC000559158354 504794726 /nfs/dbraw/zinc/79/47/26/504794726.db2.gz ZXHWHUOZOFJOGP-QWFCFKBJSA-N 1 1 368.525 3.011 20 30 FGEDMO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)[C@@H]1C ZINC000559158354 504794728 /nfs/dbraw/zinc/79/47/28/504794728.db2.gz ZXHWHUOZOFJOGP-QWFCFKBJSA-N 1 1 368.525 3.011 20 30 FGEDMO N#Cc1cc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)ccc1F ZINC000556439226 504874709 /nfs/dbraw/zinc/87/47/09/504874709.db2.gz WTIILXKJBGPMDF-GOSISDBHSA-N 1 1 369.465 3.045 20 30 FGEDMO N#Cc1cc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)ccc1F ZINC000556439226 504874712 /nfs/dbraw/zinc/87/47/12/504874712.db2.gz WTIILXKJBGPMDF-GOSISDBHSA-N 1 1 369.465 3.045 20 30 FGEDMO N#Cc1ccnc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000549754226 504889430 /nfs/dbraw/zinc/88/94/30/504889430.db2.gz AQIYTOHGIMPFJL-GOSISDBHSA-N 1 1 354.841 3.174 20 30 FGEDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cccc(C#N)c1Br ZINC000562702392 504913989 /nfs/dbraw/zinc/91/39/89/504913989.db2.gz UXRYBEULGDRYSJ-CQSZACIVSA-N 1 1 364.287 3.267 20 30 FGEDMO C=CCC(C)(C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000559981164 504962549 /nfs/dbraw/zinc/96/25/49/504962549.db2.gz GGIPBFCAKBRHOT-SFHVURJKSA-N 1 1 357.498 3.394 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cnccc1C#N ZINC000553637233 504968982 /nfs/dbraw/zinc/96/89/82/504968982.db2.gz XCZSTKUAPDUEKS-UHFFFAOYSA-N 1 1 360.417 3.108 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cnccc1C#N ZINC000553637233 504968985 /nfs/dbraw/zinc/96/89/85/504968985.db2.gz XCZSTKUAPDUEKS-UHFFFAOYSA-N 1 1 360.417 3.108 20 30 FGEDMO N#Cc1cnn2cc(C[NH2+]Cc3ccc(Oc4ccc(F)cc4)nc3)cnc12 ZINC000550153576 504978856 /nfs/dbraw/zinc/97/88/56/504978856.db2.gz TYRIKZMWZBCMCY-UHFFFAOYSA-N 1 1 374.379 3.217 20 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505131297 /nfs/dbraw/zinc/13/12/97/505131297.db2.gz ZZBKIGHJQJBBOL-HDICACEKSA-N 1 1 369.509 3.452 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCC(CCC#N)CC3)cc2)C[C@H](C)O1 ZINC000566276569 505131299 /nfs/dbraw/zinc/13/12/99/505131299.db2.gz ZZBKIGHJQJBBOL-HDICACEKSA-N 1 1 369.509 3.452 20 30 FGEDMO Cc1c[nH+]cn1C1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000560646841 505152636 /nfs/dbraw/zinc/15/26/36/505152636.db2.gz IULVOOZVKYLWFZ-UHFFFAOYSA-N 1 1 352.413 3.098 20 30 FGEDMO CC[N@H+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H](C)C1 ZINC000557526999 505156751 /nfs/dbraw/zinc/15/67/51/505156751.db2.gz HWYGHIUKHQLROE-QGZVFWFLSA-N 1 1 363.461 3.303 20 30 FGEDMO COCCN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000566416290 505169198 /nfs/dbraw/zinc/16/91/98/505169198.db2.gz GIALPFSOFWWJIK-LJQANCHMSA-N 1 1 371.868 3.494 20 30 FGEDMO C=CCC[C@H](NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000554629245 505227110 /nfs/dbraw/zinc/22/71/10/505227110.db2.gz KCVWFBGTRZUJQI-ICSRJNTNSA-N 1 1 371.525 3.000 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1OC ZINC000557837327 505242423 /nfs/dbraw/zinc/24/24/23/505242423.db2.gz KWVVVEIQJRWYAR-INIZCTEOSA-N 1 1 358.482 3.206 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000551743048 505297330 /nfs/dbraw/zinc/29/73/30/505297330.db2.gz YPRQJRWFSVGZJK-IEBWSBKVSA-N 1 1 362.477 3.292 20 30 FGEDMO C=CCOc1c(Br)cc(CN[C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000566973956 505328133 /nfs/dbraw/zinc/32/81/33/505328133.db2.gz QZDDYIBSZCKNNN-VXGBXAGGSA-N 1 1 357.292 3.238 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000564113869 505329315 /nfs/dbraw/zinc/32/93/15/505329315.db2.gz WMHZHALPEQSOAF-GCJKJVERSA-N 1 1 371.525 3.018 20 30 FGEDMO C[N@@H+](CCCOc1ccc2c(c1)OCO2)CCOCc1ccc(C#N)cc1 ZINC000564152259 505339231 /nfs/dbraw/zinc/33/92/31/505339231.db2.gz NQSFRIDPWXENGH-UHFFFAOYSA-N 1 1 368.433 3.204 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(C#N)s1 ZINC000561466484 505353981 /nfs/dbraw/zinc/35/39/81/505353981.db2.gz BBBGWZZPMQAUFC-QGZVFWFLSA-N 1 1 368.506 3.283 20 30 FGEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000555144189 505362557 /nfs/dbraw/zinc/36/25/57/505362557.db2.gz BFVIDTUPXATNJN-SFHVURJKSA-N 1 1 358.486 3.021 20 30 FGEDMO C[C@H](NC(=O)NCC#Cc1cccc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000555144968 505363313 /nfs/dbraw/zinc/36/33/13/505363313.db2.gz HYIGDQNJPUPVLK-FUHWJXTLSA-N 1 1 357.473 3.129 20 30 FGEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)cc1 ZINC000558605653 505437374 /nfs/dbraw/zinc/43/73/74/505437374.db2.gz RMMGABSEIPUHHM-LZNRXBQRSA-N 1 1 371.525 3.393 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000561793343 505437942 /nfs/dbraw/zinc/43/79/42/505437942.db2.gz GJLOTXKCVRUJCR-CQSZACIVSA-N 1 1 373.403 3.312 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000561793343 505437945 /nfs/dbraw/zinc/43/79/45/505437945.db2.gz GJLOTXKCVRUJCR-CQSZACIVSA-N 1 1 373.403 3.312 20 30 FGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000564556381 505451997 /nfs/dbraw/zinc/45/19/97/505451997.db2.gz WTDPSDWMTNKKLN-KRWDZBQOSA-N 1 1 354.450 3.352 20 30 FGEDMO C=CCn1c(-c2cccnc2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000558661425 505455068 /nfs/dbraw/zinc/45/50/68/505455068.db2.gz QKZCWGZMAODVFM-UHFFFAOYSA-N 1 1 354.502 3.083 20 30 FGEDMO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc(Br)cc1C#N ZINC000561884990 505458468 /nfs/dbraw/zinc/45/84/68/505458468.db2.gz IDCXVUTYBCRNEM-UHFFFAOYSA-N 1 1 364.287 3.059 20 30 FGEDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(Br)cc1C#N ZINC000561884990 505458473 /nfs/dbraw/zinc/45/84/73/505458473.db2.gz IDCXVUTYBCRNEM-UHFFFAOYSA-N 1 1 364.287 3.059 20 30 FGEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000564601558 505466023 /nfs/dbraw/zinc/46/60/23/505466023.db2.gz KDNPNFBMQHXPDU-MRXNPFEDSA-N 1 1 374.504 3.150 20 30 FGEDMO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)CC2)c1 ZINC000552363477 505473647 /nfs/dbraw/zinc/47/36/47/505473647.db2.gz UEPANJOQHLTWOV-UZLBHIALSA-N 1 1 367.468 3.204 20 30 FGEDMO COc1ccc(C[N@H+](CCNC(C)=O)Cc2ccc(C)s2)cc1C#N ZINC000558728343 505476520 /nfs/dbraw/zinc/47/65/20/505476520.db2.gz DXKLXBHPGXKUMX-UHFFFAOYSA-N 1 1 357.479 3.075 20 30 FGEDMO COc1ccc(C[N@@H+](CCNC(C)=O)Cc2ccc(C)s2)cc1C#N ZINC000558728343 505476524 /nfs/dbraw/zinc/47/65/24/505476524.db2.gz DXKLXBHPGXKUMX-UHFFFAOYSA-N 1 1 357.479 3.075 20 30 FGEDMO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1nc(C#N)cs1 ZINC000567653380 505526331 /nfs/dbraw/zinc/52/63/31/505526331.db2.gz VZPQZRCYKJPXRF-AWEZNQCLSA-N 1 1 369.494 3.122 20 30 FGEDMO CCC[N@@H+](C)[C@H](CNC(=O)Cc1noc(C)c1C#N)c1ccc(Cl)cc1 ZINC000552682480 505534344 /nfs/dbraw/zinc/53/43/44/505534344.db2.gz MSSDVKUWSCQNFY-GOSISDBHSA-N 1 1 374.872 3.250 20 30 FGEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)COc1ccccc1C#N ZINC000599250833 506386728 /nfs/dbraw/zinc/38/67/28/506386728.db2.gz BEKOAXXREPNKRN-KRWDZBQOSA-N 1 1 364.367 3.449 20 30 FGEDMO COc1ccc2cc(C[N@@H+](C)C[C@H](O)CC3(C#N)CCOCC3)ccc2c1 ZINC000599256688 506388416 /nfs/dbraw/zinc/38/84/16/506388416.db2.gz CNGBPGNCNHKXKT-HXUWFJFHSA-N 1 1 368.477 3.352 20 30 FGEDMO CCOc1ccc(C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C(C)C)cc1 ZINC000599273754 506393631 /nfs/dbraw/zinc/39/36/31/506393631.db2.gz ITPCUMVBICDUCK-IBGZPJMESA-N 1 1 360.498 3.367 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000588978173 506403025 /nfs/dbraw/zinc/40/30/25/506403025.db2.gz NUOYHVZHAGPVGD-AEFFLSMTSA-N 1 1 355.482 3.452 20 30 FGEDMO CCOC(=O)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000599315278 506408926 /nfs/dbraw/zinc/40/89/26/506408926.db2.gz HUJXJFDQFBBQRV-HXUWFJFHSA-N 1 1 370.424 3.014 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2nc3ncccc3cc2C#N)C1 ZINC000596461668 506418364 /nfs/dbraw/zinc/41/83/64/506418364.db2.gz IWLQNLRZVGRHCZ-FQEVSTJZSA-N 1 1 357.461 3.255 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2c(C#N)nnc3ccccc32)C1 ZINC000596467217 506421254 /nfs/dbraw/zinc/42/12/54/506421254.db2.gz PMUDBUVMLLIKSE-SFHVURJKSA-N 1 1 357.461 3.255 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)CCOCC1 ZINC000599366238 506429661 /nfs/dbraw/zinc/42/96/61/506429661.db2.gz NGWFPPWZVDALQH-YLJYHZDGSA-N 1 1 360.473 3.467 20 30 FGEDMO N#Cc1cc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ccn1 ZINC000603138614 506434586 /nfs/dbraw/zinc/43/45/86/506434586.db2.gz KUYXVYXZIVUNLJ-UHFFFAOYSA-N 1 1 371.391 3.018 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CCOCC1 ZINC000599402089 506442948 /nfs/dbraw/zinc/44/29/48/506442948.db2.gz IQDGKLXOZMWMAW-GJZGRUSLSA-N 1 1 360.420 3.112 20 30 FGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1C#N ZINC000599412700 506446439 /nfs/dbraw/zinc/44/64/39/506446439.db2.gz NQKLPMIGEXXPMQ-HNNXBMFYSA-N 1 1 353.388 3.147 20 30 FGEDMO CC(C)c1ccc2ncc(C#N)c(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000596541001 506453839 /nfs/dbraw/zinc/45/38/39/506453839.db2.gz XYVXDBBMPGYSBN-LJQANCHMSA-N 1 1 364.493 3.265 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC[C@H]2Cc2ccccc2F)CCOCC1 ZINC000599450565 506460883 /nfs/dbraw/zinc/46/08/83/506460883.db2.gz KEEFFLJIMSWYAB-OALUTQOASA-N 1 1 360.473 3.294 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)CCOCC1 ZINC000599450564 506460924 /nfs/dbraw/zinc/46/09/24/506460924.db2.gz KEEFFLJIMSWYAB-MOPGFXCFSA-N 1 1 360.473 3.294 20 30 FGEDMO N#CCc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000582901353 506479985 /nfs/dbraw/zinc/47/99/85/506479985.db2.gz BOCZSCPDRVQQIH-OAQYLSRUSA-N 1 1 362.477 3.074 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000599516847 506483704 /nfs/dbraw/zinc/48/37/04/506483704.db2.gz XUYPOWSWPLZTMF-SFHVURJKSA-N 1 1 369.415 3.332 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000599516847 506483705 /nfs/dbraw/zinc/48/37/05/506483705.db2.gz XUYPOWSWPLZTMF-SFHVURJKSA-N 1 1 369.415 3.332 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599591551 506516878 /nfs/dbraw/zinc/51/68/78/506516878.db2.gz VOTMTFZDKOSOGH-MAUKXSAKSA-N 1 1 371.481 3.187 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+](C2CC2)C2CC2)c1C#N ZINC000599600148 506524494 /nfs/dbraw/zinc/52/44/94/506524494.db2.gz OEXGNFUFEUKUQZ-UHFFFAOYSA-N 1 1 352.438 3.183 20 30 FGEDMO CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@H]1CC[N@@H+](C)C1 ZINC000596678217 506527557 /nfs/dbraw/zinc/52/75/57/506527557.db2.gz MQEXLVSMUAPVEP-KRWDZBQOSA-N 1 1 365.437 3.303 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3sccc3C#N)cc2)C[C@H](C)O1 ZINC000603577422 506562509 /nfs/dbraw/zinc/56/25/09/506562509.db2.gz GLEMLJKOZHYCJY-KBPBESRZSA-N 1 1 355.463 3.481 20 30 FGEDMO N#Cc1cccc2c1CN(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000593350347 506562759 /nfs/dbraw/zinc/56/27/59/506562759.db2.gz TXSSRAFLWOUSSX-FQEVSTJZSA-N 1 1 360.461 3.248 20 30 FGEDMO COc1ncc(Br)cc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677388 506571758 /nfs/dbraw/zinc/57/17/58/506571758.db2.gz GSZOZMWZJZRCQY-UHFFFAOYSA-N 1 1 372.266 3.477 20 30 FGEDMO COc1ncc(Br)cc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677388 506571765 /nfs/dbraw/zinc/57/17/65/506571765.db2.gz GSZOZMWZJZRCQY-UHFFFAOYSA-N 1 1 372.266 3.477 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+]2CC[C@H](c3ccc(OC)c(F)c3)C2)c1C#N ZINC000599677053 506571803 /nfs/dbraw/zinc/57/18/03/506571803.db2.gz GOTKBEUOUDWVAG-HNNXBMFYSA-N 1 1 368.408 3.482 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CC[C@H](c3ccc(OC)c(F)c3)C2)c1C#N ZINC000599677053 506571809 /nfs/dbraw/zinc/57/18/09/506571809.db2.gz GOTKBEUOUDWVAG-HNNXBMFYSA-N 1 1 368.408 3.482 20 30 FGEDMO COC[C@@H](C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCc2ccccc21 ZINC000599683242 506578388 /nfs/dbraw/zinc/57/83/88/506578388.db2.gz OOLVNBJGWPBXFU-YLJYHZDGSA-N 1 1 369.509 3.353 20 30 FGEDMO COC[C@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H]1CCc2ccccc21 ZINC000599683605 506578570 /nfs/dbraw/zinc/57/85/70/506578570.db2.gz SDCBJNVRFMXDIZ-LRQRDZAKSA-N 1 1 357.498 3.065 20 30 FGEDMO C[C@H](NC(=O)NCC1(C#N)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593387093 506592645 /nfs/dbraw/zinc/59/26/45/506592645.db2.gz LRRKHVRFDYJGAH-PKOBYXMFSA-N 1 1 354.498 3.280 20 30 FGEDMO CSc1cccnc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000593393810 506595598 /nfs/dbraw/zinc/59/55/98/506595598.db2.gz IIGJHMBUIYSIFU-UHFFFAOYSA-N 1 1 366.490 3.023 20 30 FGEDMO CSc1cccnc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000593393810 506595608 /nfs/dbraw/zinc/59/56/08/506595608.db2.gz IIGJHMBUIYSIFU-UHFFFAOYSA-N 1 1 366.490 3.023 20 30 FGEDMO N#Cc1ccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000583116307 506597193 /nfs/dbraw/zinc/59/71/93/506597193.db2.gz GRUYJYBLZZAYII-QGZVFWFLSA-N 1 1 350.422 3.443 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC2(C#N)CCOCC2)cc1 ZINC000596804139 506608758 /nfs/dbraw/zinc/60/87/58/506608758.db2.gz VUDRXWDWDAIFRZ-GOSISDBHSA-N 1 1 369.509 3.388 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+](C[C@H](C)c3cccc(Cl)c3)CC2)c1C#N ZINC000583173069 506628847 /nfs/dbraw/zinc/62/88/47/506628847.db2.gz URNUQZSVTWTFMI-AWEZNQCLSA-N 1 1 357.889 3.179 20 30 FGEDMO COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)c1 ZINC000603868600 506641828 /nfs/dbraw/zinc/64/18/28/506641828.db2.gz XDILIQFMCSMHOA-LJQANCHMSA-N 1 1 369.509 3.387 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593525575 506670770 /nfs/dbraw/zinc/67/07/70/506670770.db2.gz ICLKLWSCIMCJCW-MRXNPFEDSA-N 1 1 363.527 3.031 20 30 FGEDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC1(C#N)CC1 ZINC000599876568 506692974 /nfs/dbraw/zinc/69/29/74/506692974.db2.gz KPOHMCCAPLDPGT-FYYLOGMGSA-N 1 1 373.500 3.496 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590003967 506703304 /nfs/dbraw/zinc/70/33/04/506703304.db2.gz YZBYBWCVYXWVAD-SUMWQHHRSA-N 1 1 370.840 3.087 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590003967 506703311 /nfs/dbraw/zinc/70/33/11/506703311.db2.gz YZBYBWCVYXWVAD-SUMWQHHRSA-N 1 1 370.840 3.087 20 30 FGEDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596996471 506722604 /nfs/dbraw/zinc/72/26/04/506722604.db2.gz XATJMFORQBDODG-HNNXBMFYSA-N 1 1 369.490 3.082 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(O)cc(C#N)c3)C2)s1 ZINC000593689183 506733172 /nfs/dbraw/zinc/73/31/72/506733172.db2.gz WNLZOZGYUPEEJQ-OAHLLOKOSA-N 1 1 369.490 3.228 20 30 FGEDMO COCc1ccc(C[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 ZINC000590171272 506756487 /nfs/dbraw/zinc/75/64/87/506756487.db2.gz LJWHZRXMUIYZFE-OAQYLSRUSA-N 1 1 353.441 3.355 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCC3(C#N)CCCC3)cc2)C[C@H](C)O1 ZINC000593779344 506771765 /nfs/dbraw/zinc/77/17/65/506771765.db2.gz HIDZQCPZGBGHDB-IRXDYDNUSA-N 1 1 355.482 3.110 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc(CC#N)cc2)C1 ZINC000583437620 506780706 /nfs/dbraw/zinc/78/07/06/506780706.db2.gz XPPYZHVXNLCDNR-HDICACEKSA-N 1 1 356.514 3.310 20 30 FGEDMO C[N@@H+](Cc1cccc2ccccc21)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121685 506781117 /nfs/dbraw/zinc/78/11/17/506781117.db2.gz NESQTLYWJYVUKG-OAQYLSRUSA-N 1 1 369.424 3.475 20 30 FGEDMO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1OC1CC1 ZINC000600112128 506781507 /nfs/dbraw/zinc/78/15/07/506781507.db2.gz OAVGWMNBFYINKF-UHFFFAOYSA-N 1 1 363.461 3.430 20 30 FGEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000609280719 506833467 /nfs/dbraw/zinc/83/34/67/506833467.db2.gz MYQPSXGZYLPMDB-FQEVSTJZSA-N 1 1 363.461 3.410 20 30 FGEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000609280719 506833473 /nfs/dbraw/zinc/83/34/73/506833473.db2.gz MYQPSXGZYLPMDB-FQEVSTJZSA-N 1 1 363.461 3.410 20 30 FGEDMO CCOc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000604468273 506839603 /nfs/dbraw/zinc/83/96/03/506839603.db2.gz AZBWDKPXHVAFON-IBGZPJMESA-N 1 1 354.450 3.023 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000609338453 506858500 /nfs/dbraw/zinc/85/85/00/506858500.db2.gz IIDLSVNMZQQSKE-ZWKOTPCHSA-N 1 1 354.425 3.121 20 30 FGEDMO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594066223 506917065 /nfs/dbraw/zinc/91/70/65/506917065.db2.gz JLCXXNYMQUHRQU-UKRRQHHQSA-N 1 1 364.396 3.298 20 30 FGEDMO COc1cc(C[N@@H+](C[C@H](C)O)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000594067204 506918468 /nfs/dbraw/zinc/91/84/68/506918468.db2.gz ZSZMNKDFSGJKMF-INIZCTEOSA-N 1 1 366.461 3.491 20 30 FGEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)CC#N ZINC000597416565 506940924 /nfs/dbraw/zinc/94/09/24/506940924.db2.gz SLNQYWIJUSHRLX-QAPCUYQASA-N 1 1 351.454 3.127 20 30 FGEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)CC#N ZINC000597416564 506941729 /nfs/dbraw/zinc/94/17/29/506941729.db2.gz SLNQYWIJUSHRLX-MAUKXSAKSA-N 1 1 351.454 3.127 20 30 FGEDMO Cc1cc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C#N)cc1N(C)C ZINC000594113834 506948690 /nfs/dbraw/zinc/94/86/90/506948690.db2.gz STIPYVYUHXQBRV-SJLPKXTDSA-N 1 1 355.486 3.071 20 30 FGEDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(-c4ccccc4C#N)cc3)CC2)C1 ZINC000609672917 506969607 /nfs/dbraw/zinc/96/96/07/506969607.db2.gz XVHJKNRYKZYLNB-HSZRJFAPSA-N 1 1 374.532 3.437 20 30 FGEDMO Cc1ccc(OC2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)cc1 ZINC000609739555 506986253 /nfs/dbraw/zinc/98/62/53/506986253.db2.gz IETXUCNDQJJLPQ-UHFFFAOYSA-N 1 1 363.461 3.026 20 30 FGEDMO N#Cc1cc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)c(Cl)c1 ZINC000597579045 507017208 /nfs/dbraw/zinc/01/72/08/507017208.db2.gz LQCMPBVQRSCREU-KGLIPLIRSA-N 1 1 356.228 3.123 20 30 FGEDMO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncc1C#N ZINC000590909878 507025213 /nfs/dbraw/zinc/02/52/13/507025213.db2.gz NRVQGHGJTZQOCE-HLAWJBBLSA-N 1 1 374.488 3.292 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594230351 507025632 /nfs/dbraw/zinc/02/56/32/507025632.db2.gz HVQKJFBXXKOBHS-HTAPYJJXSA-N 1 1 374.488 3.494 20 30 FGEDMO Cc1ccc(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c(N2CCCC2)[nH+]1 ZINC000594342057 507086218 /nfs/dbraw/zinc/08/62/18/507086218.db2.gz VUTFDBGGIAJGQT-INIZCTEOSA-N 1 1 362.477 3.357 20 30 FGEDMO CCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610133305 507112469 /nfs/dbraw/zinc/11/24/69/507112469.db2.gz BRCRRPXSDHJGNJ-BHIYHBOVSA-N 1 1 361.530 3.197 20 30 FGEDMO N#CCc1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000597805822 507113121 /nfs/dbraw/zinc/11/31/21/507113121.db2.gz TUCZYXXKOXZQJT-QFIPXVFZSA-N 1 1 361.489 3.324 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@H+]1C ZINC000610177706 507128493 /nfs/dbraw/zinc/12/84/93/507128493.db2.gz BNSZEDYMEJHUIX-CRAIPNDOSA-N 1 1 364.449 3.300 20 30 FGEDMO CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000594440444 507132677 /nfs/dbraw/zinc/13/26/77/507132677.db2.gz CKFDBQXIBXNWHT-LEWJYISDSA-N 1 1 370.541 3.301 20 30 FGEDMO COc1cccc([C@@H]2[C@@H](Nc3ncc(C#N)cc3F)CC[N@H+]2C2CC2)c1 ZINC000591153842 507134857 /nfs/dbraw/zinc/13/48/57/507134857.db2.gz PVRQUYDAKGAEEF-RBUKOAKNSA-N 1 1 352.413 3.491 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000610213823 507141855 /nfs/dbraw/zinc/14/18/55/507141855.db2.gz ULRXJPJUVMVEFE-CVEARBPZSA-N 1 1 361.511 3.114 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000610213823 507141860 /nfs/dbraw/zinc/14/18/60/507141860.db2.gz ULRXJPJUVMVEFE-CVEARBPZSA-N 1 1 361.511 3.114 20 30 FGEDMO N#Cc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000597891295 507157483 /nfs/dbraw/zinc/15/74/83/507157483.db2.gz XYJBHMCKIAECCQ-QFIPXVFZSA-N 1 1 361.489 3.172 20 30 FGEDMO Cc1noc(C)c1C[NH+]1CCN(c2c(C#N)cnc3c(C)cccc32)CC1 ZINC000610274242 507171747 /nfs/dbraw/zinc/17/17/47/507171747.db2.gz YQHWFJABMDRQGY-UHFFFAOYSA-N 1 1 361.449 3.342 20 30 FGEDMO CC(C)[NH+]1CCN(C2CCN(c3cccc(C(F)F)c3C#N)CC2)CC1 ZINC000594569972 507191248 /nfs/dbraw/zinc/19/12/48/507191248.db2.gz XTLFNBNNMUNPIK-UHFFFAOYSA-N 1 1 362.468 3.491 20 30 FGEDMO COC(=O)c1ccc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C#N)n1 ZINC000594593003 507200444 /nfs/dbraw/zinc/20/04/44/507200444.db2.gz MCFLDCIMEGKGRW-INIZCTEOSA-N 1 1 367.474 3.497 20 30 FGEDMO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000610342240 507201719 /nfs/dbraw/zinc/20/17/19/507201719.db2.gz ANQPCOKOVVAQGE-JSGCOSHPSA-N 1 1 358.417 3.417 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000591334488 507205638 /nfs/dbraw/zinc/20/56/38/507205638.db2.gz SPCVCVVOCXVWFH-NRFANRHFSA-N 1 1 360.461 3.251 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000610356065 507210330 /nfs/dbraw/zinc/21/03/30/507210330.db2.gz ILOKZCCNULTISF-SFHVURJKSA-N 1 1 362.477 3.455 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610433597 507237957 /nfs/dbraw/zinc/23/79/57/507237957.db2.gz WIKBXDSFMQDIRZ-LAUBAEHRSA-N 1 1 362.477 3.092 20 30 FGEDMO Cc1[nH+]ccn1CCCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000601186225 507291006 /nfs/dbraw/zinc/29/10/06/507291006.db2.gz FYBXRMGJYPRVBW-UHFFFAOYSA-N 1 1 359.433 3.198 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000598195673 507306975 /nfs/dbraw/zinc/30/69/75/507306975.db2.gz QTLANQBDFYNVTG-KRWDZBQOSA-N 1 1 369.415 3.225 20 30 FGEDMO N#CCn1c(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc2ccccc21 ZINC000598219010 507323404 /nfs/dbraw/zinc/32/34/04/507323404.db2.gz KOBIJMNVTBVQEH-KRWDZBQOSA-N 1 1 350.466 3.302 20 30 FGEDMO C[C@H]1C[C@H](CCNC(=O)C2(C#N)CC3(CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000601366596 507346286 /nfs/dbraw/zinc/34/62/86/507346286.db2.gz MCYVYVXUUPQDSJ-HKUYNNGSSA-N 1 1 351.494 3.487 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000591796680 507363246 /nfs/dbraw/zinc/36/32/46/507363246.db2.gz UDJPWVVYVJJWKH-FGTMMUONSA-N 1 1 355.482 3.362 20 30 FGEDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000598342780 507384837 /nfs/dbraw/zinc/38/48/37/507384837.db2.gz QCNPGCBSVDILLB-HXUWFJFHSA-N 1 1 363.461 3.351 20 30 FGEDMO CCC[N@H+]1CC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000598341388 507384982 /nfs/dbraw/zinc/38/49/82/507384982.db2.gz AKXJSNYKTJUTCS-FQEVSTJZSA-N 1 1 363.461 3.351 20 30 FGEDMO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000591850293 507391512 /nfs/dbraw/zinc/39/15/12/507391512.db2.gz OOGKUKOLPXIEMH-SRHPJPHMSA-N 1 1 366.509 3.279 20 30 FGEDMO CC(C)(C#N)c1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000614179550 507397453 /nfs/dbraw/zinc/39/74/53/507397453.db2.gz RRIGKYHLKYHKCL-LJQANCHMSA-N 1 1 356.491 3.363 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CC[C@](C)(C#N)C1 ZINC000598411282 507414391 /nfs/dbraw/zinc/41/43/91/507414391.db2.gz IMBHYRDCLDHXSV-LAUBAEHRSA-N 1 1 355.482 3.316 20 30 FGEDMO C[C@H]1C[C@H](N(C)C(=O)c2cc(O)cc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000614298821 507446839 /nfs/dbraw/zinc/44/68/39/507446839.db2.gz HMGMQGURSPKSGR-OXJNMPFZSA-N 1 1 363.461 3.389 20 30 FGEDMO N#Cc1ccc(CCN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000595287348 507449245 /nfs/dbraw/zinc/44/92/45/507449245.db2.gz QIZIXOFJFGFZEM-UHFFFAOYSA-N 1 1 369.896 3.451 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000610967420 507456890 /nfs/dbraw/zinc/45/68/90/507456890.db2.gz QMTWDVYOVALCCD-TZIWHRDSSA-N 1 1 352.434 3.035 20 30 FGEDMO N#Cc1cnccc1CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000592059632 507470216 /nfs/dbraw/zinc/47/02/16/507470216.db2.gz VZOVYZHFKQDGEU-UHFFFAOYSA-N 1 1 360.383 3.290 20 30 FGEDMO CN(Cc1ccncc1C#N)[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccncc1C#N ZINC000592097212 507482715 /nfs/dbraw/zinc/48/27/15/507482715.db2.gz GYVZZNLHXCLVEU-VXKWHMMOSA-N 1 1 374.492 3.095 20 30 FGEDMO CN(Cc1ccncc1C#N)[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccncc1C#N ZINC000592097212 507482719 /nfs/dbraw/zinc/48/27/19/507482719.db2.gz GYVZZNLHXCLVEU-VXKWHMMOSA-N 1 1 374.492 3.095 20 30 FGEDMO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000598560488 507488030 /nfs/dbraw/zinc/48/80/30/507488030.db2.gz MWRDJGFVEZMRQY-FQEVSTJZSA-N 1 1 369.509 3.346 20 30 FGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC000595431556 507493532 /nfs/dbraw/zinc/49/35/32/507493532.db2.gz RCWNAUYFOMJYHP-FQEVSTJZSA-N 1 1 369.490 3.007 20 30 FGEDMO C=CCCSCCNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000595451722 507506390 /nfs/dbraw/zinc/50/63/90/507506390.db2.gz ZYTYGSGVTZQPRY-CQSZACIVSA-N 1 1 353.557 3.103 20 30 FGEDMO C=CCCSCCNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000595451722 507506398 /nfs/dbraw/zinc/50/63/98/507506398.db2.gz ZYTYGSGVTZQPRY-CQSZACIVSA-N 1 1 353.557 3.103 20 30 FGEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000584791861 507508312 /nfs/dbraw/zinc/50/83/12/507508312.db2.gz GFOJYMAHVSUNOF-HNNXBMFYSA-N 1 1 368.403 3.356 20 30 FGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000592148334 507509310 /nfs/dbraw/zinc/50/93/10/507509310.db2.gz UGEWFTLFHAUZHY-QFIPXVFZSA-N 1 1 358.445 3.390 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000606830464 507522882 /nfs/dbraw/zinc/52/28/82/507522882.db2.gz CLGPDUOEMWGGAK-UHFFFAOYSA-N 1 1 356.388 3.436 20 30 FGEDMO CC(C)(CO)[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cccnc1 ZINC000595501038 507531958 /nfs/dbraw/zinc/53/19/58/507531958.db2.gz QXUIPYSCDFXZQW-QGZVFWFLSA-N 1 1 361.392 3.404 20 30 FGEDMO COc1nc(C)cc(C)c1C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000598651003 507533843 /nfs/dbraw/zinc/53/38/43/507533843.db2.gz ZQADPPQOXKSULN-UHFFFAOYSA-N 1 1 358.467 3.101 20 30 FGEDMO C[C@@]1(CNC(=O)N2CCC[C@](C)(C#N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000614493385 507541749 /nfs/dbraw/zinc/54/17/49/507541749.db2.gz ACHYOHXZXMFAKY-RTWAWAEBSA-N 1 1 354.498 3.376 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C3(Nc4ccccc4)CC3)CC2)cc1 ZINC000602045563 507568279 /nfs/dbraw/zinc/56/82/79/507568279.db2.gz DGAZVARIXBTIOA-UHFFFAOYSA-N 1 1 374.488 3.237 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(Nc4ccccc4)CC3)CC2)cc1 ZINC000602045563 507568288 /nfs/dbraw/zinc/56/82/88/507568288.db2.gz DGAZVARIXBTIOA-UHFFFAOYSA-N 1 1 374.488 3.237 20 30 FGEDMO 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C=C(Br)CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000726239279 722432293 /nfs/dbraw/zinc/43/22/93/722432293.db2.gz YRPYSNQRDUTECJ-DZGCQCFKSA-N 1 1 352.276 3.030 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000730276530 722466637 /nfs/dbraw/zinc/46/66/37/722466637.db2.gz ODYFERIGSNCYII-LOWDOPEQSA-N 1 1 370.337 3.110 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000730276530 722466638 /nfs/dbraw/zinc/46/66/38/722466638.db2.gz ODYFERIGSNCYII-LOWDOPEQSA-N 1 1 370.337 3.110 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731499228 722475912 /nfs/dbraw/zinc/47/59/12/722475912.db2.gz VQPRDWVPBVEDHJ-HNNXBMFYSA-N 1 1 358.324 3.239 20 30 FGEDMO CCS[C@H]1CCCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000732569518 722486134 /nfs/dbraw/zinc/48/61/34/722486134.db2.gz PHRXHOFTSGJXJN-HNNXBMFYSA-N 1 1 356.495 3.028 20 30 FGEDMO CCS[C@H]1CCCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000732569518 722486135 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C=CCC1(O)CC[NH+](Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000886776305 739297418 /nfs/dbraw/zinc/29/74/18/739297418.db2.gz BWTQYVLEBLBLLJ-UHFFFAOYSA-N 1 1 364.287 3.239 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000886813149 739305012 /nfs/dbraw/zinc/30/50/12/739305012.db2.gz DOIVIUGUVJDALE-CYBMUJFWSA-N 1 1 352.278 3.324 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000886813149 739305016 /nfs/dbraw/zinc/30/50/16/739305016.db2.gz DOIVIUGUVJDALE-CYBMUJFWSA-N 1 1 352.278 3.324 20 30 FGEDMO N#Cc1sc(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)nc1Cl ZINC000888425793 739521714 /nfs/dbraw/zinc/52/17/14/739521714.db2.gz AYBUEODIVSVYLZ-LBPRGKRZSA-N 1 1 361.858 3.064 20 30 FGEDMO F[C@H]1CC2(CC[C@@H]1[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)OCCO2 ZINC000892074720 739962392 /nfs/dbraw/zinc/96/23/92/739962392.db2.gz FWZPHVLYZAAPMH-UWVGGRQHSA-N 1 1 365.289 3.437 20 30 FGEDMO F[C@H]1CC2(CC[C@@H]1[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)OCCO2 ZINC000892074720 739962397 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362.539 3.380 20 30 FGEDMO CC(C)C[N@H+](CCC#N)C[C@H](O)COc1ccc(Br)cc1 ZINC000916632952 758110195 /nfs/dbraw/zinc/11/01/95/758110195.db2.gz FBZDAEVZCOEKEU-HNNXBMFYSA-N 1 1 355.276 3.060 20 30 FGEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)COc1ccc(Br)cc1 ZINC000916632952 758110198 /nfs/dbraw/zinc/11/01/98/758110198.db2.gz FBZDAEVZCOEKEU-HNNXBMFYSA-N 1 1 355.276 3.060 20 30 FGEDMO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000922182353 758865811 /nfs/dbraw/zinc/86/58/11/758865811.db2.gz BCMHUHLYNXPELO-UHFFFAOYSA-N 1 1 354.884 3.357 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932198853 761081862 /nfs/dbraw/zinc/08/18/62/761081862.db2.gz VQZAKUFELGAONR-HNNXBMFYSA-N 1 1 354.479 3.298 20 30 FGEDMO CC(C)[C@H](O)CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940191 761279918 /nfs/dbraw/zinc/27/99/18/761279918.db2.gz OGAJHQQLSJCHIG-KXUCPTDWSA-N 1 1 369.296 3.496 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](Cc3nc(C)cs3)C2)c1C#N ZINC000933124908 761321525 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C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000998005368 765091940 /nfs/dbraw/zinc/09/19/40/765091940.db2.gz ADCBKUXARAXZFQ-HKWWEPQSSA-N 1 1 354.922 3.423 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC001003650440 765391593 /nfs/dbraw/zinc/39/15/93/765391593.db2.gz UCPNLXVTDSUZNR-AEFFLSMTSA-N 1 1 366.864 3.151 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2)s1 ZINC001003674307 765394767 /nfs/dbraw/zinc/39/47/67/765394767.db2.gz OKYCHSBYFYOHBL-IAGOWNOFSA-N 1 1 355.463 3.097 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(=C)Cl)CC1 ZINC001004552276 765436923 /nfs/dbraw/zinc/43/69/23/765436923.db2.gz MHKCHFIVMDFAPL-SQNIBIBYSA-N 1 1 352.906 3.033 20 30 FGEDMO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001015322511 765793692 /nfs/dbraw/zinc/79/36/92/765793692.db2.gz CGVZIGKRJPYLTN-IHPCNDPISA-N 1 1 356.897 3.318 20 30 FGEDMO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 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C[N@@H+](CCCNC(=O)NCc1ccc(OCC#N)cc1)C1CCCCC1 ZINC000069317991 493954889 /nfs/dbraw/zinc/95/48/89/493954889.db2.gz PYENGPZCIHFZJB-UHFFFAOYSA-N 1 1 358.486 3.043 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCO1 ZINC000076745107 493963816 /nfs/dbraw/zinc/96/38/16/493963816.db2.gz QWMGWRZBXPIRQF-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000069520460 493978772 /nfs/dbraw/zinc/97/87/72/493978772.db2.gz AWZKHDIZCRWURV-NRFANRHFSA-N 1 1 366.461 3.411 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cc(C)no2)c(OC)c1 ZINC000052009278 493998772 /nfs/dbraw/zinc/99/87/72/493998772.db2.gz GAGONSWGAWPMCE-ROUUACIJSA-N 1 1 372.465 3.297 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(-c3ccccc3)o2)cc1 ZINC000574101971 505693918 /nfs/dbraw/zinc/69/39/18/505693918.db2.gz PBXZTAFSQHRJJE-UHFFFAOYSA-N 1 1 366.442 3.382 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)C1=O ZINC000083224992 494010184 /nfs/dbraw/zinc/01/01/84/494010184.db2.gz XZMPFLYRJPJAGY-MAUKXSAKSA-N 1 1 369.465 3.429 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)C1=O ZINC000083224992 494010187 /nfs/dbraw/zinc/01/01/87/494010187.db2.gz XZMPFLYRJPJAGY-MAUKXSAKSA-N 1 1 369.465 3.429 20 30 FGEDMO C=CC[N@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)CC1CCCCC1 ZINC000069860185 494023369 /nfs/dbraw/zinc/02/33/69/494023369.db2.gz HARSIPWGCPCLNP-HXUWFJFHSA-N 1 1 360.498 3.453 20 30 FGEDMO CC(C)C[N@H+]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000077362523 494067725 /nfs/dbraw/zinc/06/77/25/494067725.db2.gz FJZUZFXMJYOWHQ-UHFFFAOYSA-N 1 1 366.509 3.401 20 30 FGEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3cccc(C#N)c3)c2)CCO1 ZINC000072033191 494118022 /nfs/dbraw/zinc/11/80/22/494118022.db2.gz ADSNPNDZYODLGL-INIZCTEOSA-N 1 1 364.449 3.101 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3cccc(C#N)c3)c2)CCO1 ZINC000072033191 494118026 /nfs/dbraw/zinc/11/80/26/494118026.db2.gz ADSNPNDZYODLGL-INIZCTEOSA-N 1 1 364.449 3.101 20 30 FGEDMO N#Cc1cc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)ncn1 ZINC000568467088 505700744 /nfs/dbraw/zinc/70/07/44/505700744.db2.gz QRRZJFWSPNNUOU-UHFFFAOYSA-N 1 1 362.264 3.020 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3cccc4c3OCCO4)CC2)cc1 ZINC000064431695 494123344 /nfs/dbraw/zinc/12/33/44/494123344.db2.gz WXHQKNVLIXWHHM-UHFFFAOYSA-N 1 1 363.461 3.037 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3cccc4c3OCCO4)CC2)cc1 ZINC000064431695 494123345 /nfs/dbraw/zinc/12/33/45/494123345.db2.gz WXHQKNVLIXWHHM-UHFFFAOYSA-N 1 1 363.461 3.037 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cccc4c3OCCO4)CC2)cc1 ZINC000064431695 494123346 /nfs/dbraw/zinc/12/33/46/494123346.db2.gz WXHQKNVLIXWHHM-UHFFFAOYSA-N 1 1 363.461 3.037 20 30 FGEDMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000053419967 494128927 /nfs/dbraw/zinc/12/89/27/494128927.db2.gz WQJBRWLUTAOSSD-HXUWFJFHSA-N 1 1 365.477 3.030 20 30 FGEDMO Cc1[nH+]ccn1CCCN(C)c1cc(Br)c(C#N)cc1F ZINC000571298262 505701862 /nfs/dbraw/zinc/70/18/62/505701862.db2.gz UZFARXMZYKMWCN-UHFFFAOYSA-N 1 1 351.223 3.491 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2nc(C)no2)CC1 ZINC000064939571 494159904 /nfs/dbraw/zinc/15/99/04/494159904.db2.gz CVIVUKXOKZGARM-CQSZACIVSA-N 1 1 374.510 3.222 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)nc1 ZINC000580213562 505705671 /nfs/dbraw/zinc/70/56/71/505705671.db2.gz STJUHVNPDAWHCO-KRWDZBQOSA-N 1 1 366.440 3.011 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078073320 494223291 /nfs/dbraw/zinc/22/32/91/494223291.db2.gz SXHJOYGKQVDTSH-LJQANCHMSA-N 1 1 356.491 3.164 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078073320 494223293 /nfs/dbraw/zinc/22/32/93/494223293.db2.gz SXHJOYGKQVDTSH-LJQANCHMSA-N 1 1 356.491 3.164 20 30 FGEDMO CCn1c(C)cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000042659774 494235263 /nfs/dbraw/zinc/23/52/63/494235263.db2.gz XMRSQGMOYBRTQH-UHFFFAOYSA-N 1 1 364.493 3.345 20 30 FGEDMO CCn1c(C)cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000042659774 494235265 /nfs/dbraw/zinc/23/52/65/494235265.db2.gz XMRSQGMOYBRTQH-UHFFFAOYSA-N 1 1 364.493 3.345 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000078255228 494263666 /nfs/dbraw/zinc/26/36/66/494263666.db2.gz VMHWPLDQDXQVKR-LAUBAEHRSA-N 1 1 357.498 3.111 20 30 FGEDMO CCSCC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000072901739 494279573 /nfs/dbraw/zinc/27/95/73/494279573.db2.gz RDUGEBCXWCGBQZ-HNNXBMFYSA-N 1 1 371.510 3.146 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3ccccc3)CC2)cc1 ZINC000055294170 494323941 /nfs/dbraw/zinc/32/39/41/494323941.db2.gz OARAXERUJAYDPA-UHFFFAOYSA-N 1 1 365.502 3.385 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3ccccc3)CC2)cc1 ZINC000055294170 494323944 /nfs/dbraw/zinc/32/39/44/494323944.db2.gz OARAXERUJAYDPA-UHFFFAOYSA-N 1 1 365.502 3.385 20 30 FGEDMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000066541169 494352369 /nfs/dbraw/zinc/35/23/69/494352369.db2.gz AMRSELOGQRDARP-OFNKIYASSA-N 1 1 373.456 3.414 20 30 FGEDMO N#Cc1c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cn2ccccc12 ZINC000073342517 494360595 /nfs/dbraw/zinc/36/05/95/494360595.db2.gz MDBWRNMLIBFUBM-UHFFFAOYSA-N 1 1 350.466 3.035 20 30 FGEDMO C=CCN(CC=C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000079170379 494413848 /nfs/dbraw/zinc/41/38/48/494413848.db2.gz VMEUPKCUEJIYGL-HDICACEKSA-N 1 1 357.498 3.179 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000045432348 494428618 /nfs/dbraw/zinc/42/86/18/494428618.db2.gz VJMHBZHDVGWJMH-HNNXBMFYSA-N 1 1 367.415 3.231 20 30 FGEDMO N#Cc1c(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cn2ccccc12 ZINC000066876664 494430553 /nfs/dbraw/zinc/43/05/53/494430553.db2.gz PQVKQDCGTTXQTC-UHFFFAOYSA-N 1 1 364.493 3.472 20 30 FGEDMO N#CCSc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000079380092 494442840 /nfs/dbraw/zinc/44/28/40/494442840.db2.gz FSDSNWUKIYWHIL-UHFFFAOYSA-N 1 1 351.475 3.260 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000021404662 494495154 /nfs/dbraw/zinc/49/51/54/494495154.db2.gz KERMYMJZPVUMRT-UHFFFAOYSA-N 1 1 350.422 3.174 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000021404662 494495158 /nfs/dbraw/zinc/49/51/58/494495158.db2.gz KERMYMJZPVUMRT-UHFFFAOYSA-N 1 1 350.422 3.174 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000021404662 494495160 /nfs/dbraw/zinc/49/51/60/494495160.db2.gz KERMYMJZPVUMRT-UHFFFAOYSA-N 1 1 350.422 3.174 20 30 FGEDMO C=CCOc1cccc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000056594104 494531886 /nfs/dbraw/zinc/53/18/86/494531886.db2.gz AZFXQMBXKVWJAB-HZPDHXFCSA-N 1 1 361.486 3.261 20 30 FGEDMO CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091216553 494563443 /nfs/dbraw/zinc/56/34/43/494563443.db2.gz ISTBLYSIVBWVDV-UHFFFAOYSA-N 1 1 350.466 3.365 20 30 FGEDMO C[C@H](Oc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023451004 494567523 /nfs/dbraw/zinc/56/75/23/494567523.db2.gz JOTOIDSXEZLHKX-SFHVURJKSA-N 1 1 363.461 3.060 20 30 FGEDMO C[C@H](Oc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023451004 494567525 /nfs/dbraw/zinc/56/75/25/494567525.db2.gz JOTOIDSXEZLHKX-SFHVURJKSA-N 1 1 363.461 3.060 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080070505 494584714 /nfs/dbraw/zinc/58/47/14/494584714.db2.gz GTPKLPQZUZYDPW-UWJYYQICSA-N 1 1 362.477 3.411 20 30 FGEDMO Cc1cc(NC(=O)[C@]2(C#N)C[C@H]2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000568592457 505730558 /nfs/dbraw/zinc/73/05/58/505730558.db2.gz YUXHSCWNDCSIOM-YWMUFLPLSA-N 1 1 363.465 3.127 20 30 FGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000121115279 494601922 /nfs/dbraw/zinc/60/19/22/494601922.db2.gz OUJKGTPZFDRCOE-HXUWFJFHSA-N 1 1 363.461 3.351 20 30 FGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000121115279 494601925 /nfs/dbraw/zinc/60/19/25/494601925.db2.gz OUJKGTPZFDRCOE-HXUWFJFHSA-N 1 1 363.461 3.351 20 30 FGEDMO Cc1cc(C)c2ncc(C#N)c(N3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)c2c1 ZINC000091453830 494603384 /nfs/dbraw/zinc/60/33/84/494603384.db2.gz OCSOHKWWNYAZOY-KRWDZBQOSA-N 1 1 364.493 3.413 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(N3CC[NH+](CC)CC3)c(F)c2)no1 ZINC000568594092 505730956 /nfs/dbraw/zinc/73/09/56/505730956.db2.gz DGHPNWKBKMKRSP-QAPCUYQASA-N 1 1 372.444 3.076 20 30 FGEDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000056983715 494610327 /nfs/dbraw/zinc/61/03/27/494610327.db2.gz LWUYSQFUGWCUFW-KRWDZBQOSA-N 1 1 363.461 3.209 20 30 FGEDMO C=CCC[C@@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000126031031 494614271 /nfs/dbraw/zinc/61/42/71/494614271.db2.gz DOCILSDOEWNCSH-NHCUHLMSSA-N 1 1 372.557 3.265 20 30 FGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000126085534 494631926 /nfs/dbraw/zinc/63/19/26/494631926.db2.gz ACFDCGURPUZOEZ-MAUKXSAKSA-N 1 1 351.454 3.193 20 30 FGEDMO C=C(C)CN(CC)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000047128075 494639641 /nfs/dbraw/zinc/63/96/41/494639641.db2.gz HQKOULPNGSZQJQ-ROUUACIJSA-N 1 1 359.514 3.403 20 30 FGEDMO C=CC[N@@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1cccc(C#N)c1 ZINC000092504416 494647248 /nfs/dbraw/zinc/64/72/48/494647248.db2.gz LXHHWGSGEANYCA-UHFFFAOYSA-N 1 1 366.465 3.123 20 30 FGEDMO C=CC[N@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1cccc(C#N)c1 ZINC000092504416 494647254 /nfs/dbraw/zinc/64/72/54/494647254.db2.gz LXHHWGSGEANYCA-UHFFFAOYSA-N 1 1 366.465 3.123 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(C)(C)CC)cc2)CC1 ZINC000074968360 494665354 /nfs/dbraw/zinc/66/53/54/494665354.db2.gz UERYAFGDIKJOIF-UHFFFAOYSA-N 1 1 350.528 3.303 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000047262264 494667749 /nfs/dbraw/zinc/66/77/49/494667749.db2.gz MRKXRWJFMZZJMR-INIZCTEOSA-N 1 1 354.841 3.457 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000047262265 494667817 /nfs/dbraw/zinc/66/78/17/494667817.db2.gz MRKXRWJFMZZJMR-MRXNPFEDSA-N 1 1 354.841 3.457 20 30 FGEDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000091986801 494745520 /nfs/dbraw/zinc/74/55/20/494745520.db2.gz WWQQUDCXGCQSDA-INIZCTEOSA-N 1 1 352.434 3.378 20 30 FGEDMO C[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000092035060 494762452 /nfs/dbraw/zinc/76/24/52/494762452.db2.gz MLVXPYSBICKBAC-KIBZJKDMSA-N 1 1 370.497 3.021 20 30 FGEDMO Cn1cc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000025792122 494779196 /nfs/dbraw/zinc/77/91/96/494779196.db2.gz DVPFFLYSNPUBTA-UHFFFAOYSA-N 1 1 371.510 3.083 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000047909158 494792402 /nfs/dbraw/zinc/79/24/02/494792402.db2.gz OOQYVDJBKSQXMY-MRXNPFEDSA-N 1 1 372.513 3.215 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000116498060 494801249 /nfs/dbraw/zinc/80/12/49/494801249.db2.gz BAJLVZITJAOTAF-KUHUBIRLSA-N 1 1 367.428 3.124 20 30 FGEDMO C[C@@H](CCO)[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000093303928 494864347 /nfs/dbraw/zinc/86/43/47/494864347.db2.gz NYYGVUWHNFEINZ-HNNXBMFYSA-N 1 1 371.868 3.423 20 30 FGEDMO C[C@@H](CCO)[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000093303928 494864350 /nfs/dbraw/zinc/86/43/50/494864350.db2.gz NYYGVUWHNFEINZ-HNNXBMFYSA-N 1 1 371.868 3.423 20 30 FGEDMO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000126952436 494867782 /nfs/dbraw/zinc/86/77/82/494867782.db2.gz GGGKLWLUVHEWOM-UHFFFAOYSA-N 1 1 373.460 3.279 20 30 FGEDMO CCC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000132449833 494875639 /nfs/dbraw/zinc/87/56/39/494875639.db2.gz LODRTBCUFHRDBG-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO CCC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000132449833 494875643 /nfs/dbraw/zinc/87/56/43/494875643.db2.gz LODRTBCUFHRDBG-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@H+](CCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000121858063 494876630 /nfs/dbraw/zinc/87/66/30/494876630.db2.gz IPKXCEUJUUGMHJ-UHFFFAOYSA-N 1 1 365.452 3.478 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(CCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000121858063 494876634 /nfs/dbraw/zinc/87/66/34/494876634.db2.gz IPKXCEUJUUGMHJ-UHFFFAOYSA-N 1 1 365.452 3.478 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000121858063 494876639 /nfs/dbraw/zinc/87/66/39/494876639.db2.gz IPKXCEUJUUGMHJ-UHFFFAOYSA-N 1 1 365.452 3.478 20 30 FGEDMO CC(C)(C)C[N@@H+](CCCO)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000109747564 494914132 /nfs/dbraw/zinc/91/41/32/494914132.db2.gz LECVNMLEKUQBBH-UHFFFAOYSA-N 1 1 363.527 3.168 20 30 FGEDMO C=CCCOCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000122453902 494978724 /nfs/dbraw/zinc/97/87/24/494978724.db2.gz CMGGPKZRJRXDGU-GOSISDBHSA-N 1 1 359.514 3.310 20 30 FGEDMO COc1ccc(OC)c(CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000118390770 495000161 /nfs/dbraw/zinc/00/01/61/495000161.db2.gz ZLXNHQCGKQJJGV-KRWDZBQOSA-N 1 1 365.477 3.454 20 30 FGEDMO Clc1cccc(C#CCN2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000127895887 495014300 /nfs/dbraw/zinc/01/43/00/495014300.db2.gz OYFZBOPMDUOHPR-UHFFFAOYSA-N 1 1 354.881 3.388 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000133465853 495017462 /nfs/dbraw/zinc/01/74/62/495017462.db2.gz JANGDVCPILCGPP-RTWAWAEBSA-N 1 1 365.477 3.069 20 30 FGEDMO Cc1csc(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1C#N ZINC000571533446 505756507 /nfs/dbraw/zinc/75/65/07/505756507.db2.gz SQARDXLNDHRMJV-INIZCTEOSA-N 1 1 354.479 3.319 20 30 FGEDMO Cc1csc(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1C#N ZINC000571533446 505756511 /nfs/dbraw/zinc/75/65/11/505756511.db2.gz SQARDXLNDHRMJV-INIZCTEOSA-N 1 1 354.479 3.319 20 30 FGEDMO CC[N@H+]1CCCC[C@H]1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000111130415 495042631 /nfs/dbraw/zinc/04/26/31/495042631.db2.gz KJGYRSJXZWGKSL-ACBHZAAOSA-N 1 1 355.482 3.239 20 30 FGEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1 ZINC000128176075 495056425 /nfs/dbraw/zinc/05/64/25/495056425.db2.gz KEFNWFKEXDFFMR-FQEVSTJZSA-N 1 1 367.449 3.243 20 30 FGEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1 ZINC000128176075 495056430 /nfs/dbraw/zinc/05/64/30/495056430.db2.gz KEFNWFKEXDFFMR-FQEVSTJZSA-N 1 1 367.449 3.243 20 30 FGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000128402402 495091828 /nfs/dbraw/zinc/09/18/28/495091828.db2.gz GVJNGASKEQHQOA-OAQYLSRUSA-N 1 1 353.441 3.332 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)c2occc2COc2cccc(C#N)c2)CC[N@H+]1C ZINC000123248134 495102622 /nfs/dbraw/zinc/10/26/22/495102622.db2.gz RQCOTPVDFYSJHW-CRAIPNDOSA-N 1 1 367.449 3.285 20 30 FGEDMO C[C@H]1CCC[N@H+]1C1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000134706438 495189910 /nfs/dbraw/zinc/18/99/10/495189910.db2.gz CFIQKQXSPMSRQY-INIZCTEOSA-N 1 1 372.538 3.189 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000134761534 495197319 /nfs/dbraw/zinc/19/73/19/495197319.db2.gz FNDYSJFUZRVJDA-UHFFFAOYSA-N 1 1 355.438 3.195 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C[N@H+]1Cc1ccccc1 ZINC000134937283 495226494 /nfs/dbraw/zinc/22/64/94/495226494.db2.gz ZQMOPXRJKBJDRK-BBRMVZONSA-N 1 1 355.388 3.229 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)Nc1ccc(F)cc1C#N)[NH+](C)C ZINC000119816454 495247488 /nfs/dbraw/zinc/24/74/88/495247488.db2.gz GTFKVAQWPXDELF-KRWDZBQOSA-N 1 1 356.401 3.130 20 30 FGEDMO COc1ccc(CN2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000135130888 495254092 /nfs/dbraw/zinc/25/40/92/495254092.db2.gz CFOFMDUETHYTPI-HDICACEKSA-N 1 1 371.525 3.278 20 30 FGEDMO COc1ccc(CN2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000135130888 495254097 /nfs/dbraw/zinc/25/40/97/495254097.db2.gz CFOFMDUETHYTPI-HDICACEKSA-N 1 1 371.525 3.278 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(C#N)cn1 ZINC000129547210 495260658 /nfs/dbraw/zinc/26/06/58/495260658.db2.gz CIGDHIMASLINFT-UHFFFAOYSA-N 1 1 360.417 3.108 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc(C#N)cn1 ZINC000129547210 495260661 /nfs/dbraw/zinc/26/06/61/495260661.db2.gz CIGDHIMASLINFT-UHFFFAOYSA-N 1 1 360.417 3.108 20 30 FGEDMO Cc1nsc(N2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135260140 495269474 /nfs/dbraw/zinc/26/94/74/495269474.db2.gz WYFCNXZWECGDND-UHFFFAOYSA-N 1 1 355.511 3.360 20 30 FGEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1ccnc1 ZINC000129745970 495289633 /nfs/dbraw/zinc/28/96/33/495289633.db2.gz UEZBIDCFYQTEPW-KDOFPFPSSA-N 1 1 371.872 3.320 20 30 FGEDMO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715592 495300605 /nfs/dbraw/zinc/30/06/05/495300605.db2.gz CWUQPLVQYRKYAM-KRWDZBQOSA-N 1 1 363.461 3.106 20 30 FGEDMO C=C[C@H](CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000124901599 495362414 /nfs/dbraw/zinc/36/24/14/495362414.db2.gz IYZKHQWCMIJTJH-OAQYLSRUSA-N 1 1 364.489 3.495 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(CC#N)C3CCCC3)cc2)C[C@H](C)O1 ZINC000125355334 495431070 /nfs/dbraw/zinc/43/10/70/495431070.db2.gz DUDILCFPZKMPKR-CALCHBBNSA-N 1 1 355.482 3.204 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(CC#N)C3CCCC3)cc2)C[C@H](C)O1 ZINC000125355334 495431076 /nfs/dbraw/zinc/43/10/76/495431076.db2.gz DUDILCFPZKMPKR-CALCHBBNSA-N 1 1 355.482 3.204 20 30 FGEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000577717396 505781908 /nfs/dbraw/zinc/78/19/08/505781908.db2.gz WLKUMVNWXVMTDN-GFCCVEGCSA-N 1 1 355.251 3.439 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(OC4CCCCC4)CC3)C2=O)cc1 ZINC000125498158 495454288 /nfs/dbraw/zinc/45/42/88/495454288.db2.gz WTADPBBGOZKXIQ-NRFANRHFSA-N 1 1 367.493 3.477 20 30 FGEDMO C=CCOc1ccc(/C=C/C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000120807697 495462346 /nfs/dbraw/zinc/46/23/46/495462346.db2.gz PVVPFZVFZYQZIQ-JLLINPMKSA-N 1 1 358.482 3.072 20 30 FGEDMO CC(=O)Oc1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000125567057 495463876 /nfs/dbraw/zinc/46/38/76/495463876.db2.gz HABUJRGIIRCLDE-UHFFFAOYSA-N 1 1 363.461 3.191 20 30 FGEDMO CC(=O)Oc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000125567057 495463881 /nfs/dbraw/zinc/46/38/81/495463881.db2.gz HABUJRGIIRCLDE-UHFFFAOYSA-N 1 1 363.461 3.191 20 30 FGEDMO CC(=O)Oc1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000125567057 495463885 /nfs/dbraw/zinc/46/38/85/495463885.db2.gz HABUJRGIIRCLDE-UHFFFAOYSA-N 1 1 363.461 3.191 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140366980 495494494 /nfs/dbraw/zinc/49/44/94/495494494.db2.gz CMDLDMHRRMHGKH-ARGWCVDVSA-N 1 1 373.522 3.062 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140366980 495494495 /nfs/dbraw/zinc/49/44/95/495494495.db2.gz CMDLDMHRRMHGKH-ARGWCVDVSA-N 1 1 373.522 3.062 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000120979307 495496809 /nfs/dbraw/zinc/49/68/09/495496809.db2.gz NPBPBHFWZDGZMD-HXUWFJFHSA-N 1 1 350.466 3.184 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000185521462 495608989 /nfs/dbraw/zinc/60/89/89/495608989.db2.gz JOLZTPVXLPUIFE-WLYUNCDWSA-N 1 1 367.419 3.227 20 30 FGEDMO C[C@H](C#N)CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000182652962 495650984 /nfs/dbraw/zinc/65/09/84/495650984.db2.gz DFGGBJFRJOXKBT-GFCCVEGCSA-N 1 1 369.296 3.417 20 30 FGEDMO COc1ccc2c(c1)C[N@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000182690970 495665837 /nfs/dbraw/zinc/66/58/37/495665837.db2.gz IJMZNUNYLYMYKO-NRFANRHFSA-N 1 1 361.445 3.121 20 30 FGEDMO COc1ccc2c(c1)C[N@@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000182690970 495665842 /nfs/dbraw/zinc/66/58/42/495665842.db2.gz IJMZNUNYLYMYKO-NRFANRHFSA-N 1 1 361.445 3.121 20 30 FGEDMO COC(=O)[C@@H](N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000185672215 495672907 /nfs/dbraw/zinc/67/29/07/495672907.db2.gz XWUCCXKFVFRZEY-BPAFIMBUSA-N 1 1 355.482 3.015 20 30 FGEDMO C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185727925 495699681 /nfs/dbraw/zinc/69/96/81/495699681.db2.gz FNPWONKKGLIBNE-ZBFHGGJFSA-N 1 1 374.916 3.393 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)C[N@H+]1Cc1ccccc1 ZINC000176595711 495713076 /nfs/dbraw/zinc/71/30/76/495713076.db2.gz CRQWBASWPKGIQD-BEFAXECRSA-N 1 1 366.440 3.160 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159629294 495773799 /nfs/dbraw/zinc/77/37/99/495773799.db2.gz HNBGDHAAHXPKCM-JOCHJYFZSA-N 1 1 364.445 3.120 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159629294 495773806 /nfs/dbraw/zinc/77/38/06/495773806.db2.gz HNBGDHAAHXPKCM-JOCHJYFZSA-N 1 1 364.445 3.120 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159631704 495774862 /nfs/dbraw/zinc/77/48/62/495774862.db2.gz RNBCFOUWDJCTER-ZOBUZTSGSA-N 1 1 361.511 3.112 20 30 FGEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171323885 495821389 /nfs/dbraw/zinc/82/13/89/495821389.db2.gz UWSBCHLVACNEKO-OAHLLOKOSA-N 1 1 351.454 3.074 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186073885 495846133 /nfs/dbraw/zinc/84/61/33/495846133.db2.gz LFBYXWLPEGDUCS-GOSISDBHSA-N 1 1 369.490 3.282 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186073885 495846138 /nfs/dbraw/zinc/84/61/38/495846138.db2.gz LFBYXWLPEGDUCS-GOSISDBHSA-N 1 1 369.490 3.282 20 30 FGEDMO C=CCOCCCC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000183239315 495893186 /nfs/dbraw/zinc/89/31/86/495893186.db2.gz OQBWURMHHXVILO-FPOVZHCZSA-N 1 1 358.482 3.072 20 30 FGEDMO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000183239281 495893371 /nfs/dbraw/zinc/89/33/71/495893371.db2.gz OQBWURMHHXVILO-CTNGQTDRSA-N 1 1 358.482 3.072 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000183284046 495914335 /nfs/dbraw/zinc/91/43/35/495914335.db2.gz FSVGNMAKNLNMJX-UHFFFAOYSA-N 1 1 350.422 3.487 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151707938 495924419 /nfs/dbraw/zinc/92/44/19/495924419.db2.gz QNIZKIUPEMOQDX-WMZOPIPTSA-N 1 1 353.422 3.068 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151707855 495925092 /nfs/dbraw/zinc/92/50/92/495925092.db2.gz QNIZKIUPEMOQDX-AEFFLSMTSA-N 1 1 353.422 3.068 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)o2)cc1 ZINC000151745606 495934839 /nfs/dbraw/zinc/93/48/39/495934839.db2.gz DJMQVBFTLFODHP-DLBZAZTESA-N 1 1 364.405 3.289 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)o2)cc1 ZINC000151745606 495934841 /nfs/dbraw/zinc/93/48/41/495934841.db2.gz DJMQVBFTLFODHP-DLBZAZTESA-N 1 1 364.405 3.289 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@@H+](CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000155388139 495942381 /nfs/dbraw/zinc/94/23/81/495942381.db2.gz NSZDESMOBHZCCG-UHFFFAOYSA-N 1 1 374.488 3.407 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000155388139 495942386 /nfs/dbraw/zinc/94/23/86/495942386.db2.gz NSZDESMOBHZCCG-UHFFFAOYSA-N 1 1 374.488 3.407 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(CCCOc3cccc(C#N)c3)CC2)cc1 ZINC000155388139 495942389 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FGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)[C@H](c2ccccc2)CO1 ZINC000174461285 495970155 /nfs/dbraw/zinc/97/01/55/495970155.db2.gz ZZXDWXWMTGKXHK-PBHICJAKSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H](c2ccccc2)CO1 ZINC000174461285 495970165 /nfs/dbraw/zinc/97/01/65/495970165.db2.gz ZZXDWXWMTGKXHK-PBHICJAKSA-N 1 1 355.463 3.410 20 30 FGEDMO N#C[C@H](NC(=O)CCCC[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000171827271 496053347 /nfs/dbraw/zinc/05/33/47/496053347.db2.gz YGYWMGOCIDIHOL-HNNXBMFYSA-N 1 1 370.280 3.177 20 30 FGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000577932891 505820993 /nfs/dbraw/zinc/82/09/93/505820993.db2.gz RVNNEQPRHDSZTB-INIZCTEOSA-N 1 1 351.372 3.100 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000577932891 505820994 /nfs/dbraw/zinc/82/09/94/505820994.db2.gz RVNNEQPRHDSZTB-INIZCTEOSA-N 1 1 351.372 3.100 20 30 FGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cc(C#N)cs3)CC2)cs1 ZINC000177474308 496075002 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C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000437930539 500718238 /nfs/dbraw/zinc/71/82/38/500718238.db2.gz JHCUBWAXOZGCSX-RTBURBONSA-N 1 1 359.514 3.177 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000570688606 506213876 /nfs/dbraw/zinc/21/38/76/506213876.db2.gz AWAOCGDWWAYRNJ-QXAKKESOSA-N 1 1 362.539 3.318 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000434098570 500795122 /nfs/dbraw/zinc/79/51/22/500795122.db2.gz DGUJSRRXZMMUPP-CQSZACIVSA-N 1 1 366.446 3.092 20 30 FGEDMO C=CCOc1ccc(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000448676277 500800627 /nfs/dbraw/zinc/80/06/27/500800627.db2.gz QVPYXVNRCFRZER-UHFFFAOYSA-N 1 1 364.489 3.359 20 30 FGEDMO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000438639513 500810397 /nfs/dbraw/zinc/81/03/97/500810397.db2.gz WXCUIQGCCQIRBN-KGLIPLIRSA-N 1 1 352.360 3.325 20 30 FGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000444244082 500823506 /nfs/dbraw/zinc/82/35/06/500823506.db2.gz PHGURNWVFUMDDD-INIZCTEOSA-N 1 1 351.450 3.458 20 30 FGEDMO C[N@@H+](CCNC(=O)c1cccc(C#N)c1Br)C1CCCCC1 ZINC000448804590 500839071 /nfs/dbraw/zinc/83/90/71/500839071.db2.gz JQLKADCIBMLMCA-UHFFFAOYSA-N 1 1 364.287 3.315 20 30 FGEDMO COc1cc(OC)cc(C(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444602032 500864863 /nfs/dbraw/zinc/86/48/63/500864863.db2.gz YFIMTJLXWUKCIW-UHFFFAOYSA-N 1 1 373.497 3.182 20 30 FGEDMO CN(CC#Cc1ccc(C(F)(F)F)cc1)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434709371 500882840 /nfs/dbraw/zinc/88/28/40/500882840.db2.gz GRKDXQKILRJACJ-UHFFFAOYSA-N 1 1 354.416 3.100 20 30 FGEDMO CN(CC#Cc1ccc(C(F)(F)F)cc1)CC[N@H+]1CCOC(C)(C)C1 ZINC000434709371 500882842 /nfs/dbraw/zinc/88/28/42/500882842.db2.gz GRKDXQKILRJACJ-UHFFFAOYSA-N 1 1 354.416 3.100 20 30 FGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCN1CCOC(C)(C)C1 ZINC000434709371 500882844 /nfs/dbraw/zinc/88/28/44/500882844.db2.gz GRKDXQKILRJACJ-UHFFFAOYSA-N 1 1 354.416 3.100 20 30 FGEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCN1CCOC(C)(C)C1 ZINC000434709371 500882848 /nfs/dbraw/zinc/88/28/48/500882848.db2.gz GRKDXQKILRJACJ-UHFFFAOYSA-N 1 1 354.416 3.100 20 30 FGEDMO CCn1nccc1C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000434755271 500889880 /nfs/dbraw/zinc/88/98/80/500889880.db2.gz KQEOXIRRSHPMCK-UHFFFAOYSA-N 1 1 362.437 3.204 20 30 FGEDMO CN1CC[NH+](CC2(C)CCN(Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000439437433 500897364 /nfs/dbraw/zinc/89/73/64/500897364.db2.gz KHMVQQXHURVYPJ-UHFFFAOYSA-N 1 1 360.933 3.061 20 30 FGEDMO C=CC[C@H]1[N@@H+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)CCCC1(C)C ZINC000444787978 500900605 /nfs/dbraw/zinc/90/06/05/500900605.db2.gz ZIYDHIZSDXRJON-UYAOXDASSA-N 1 1 360.498 3.451 20 30 FGEDMO C=CCC[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000434990362 500919729 /nfs/dbraw/zinc/91/97/29/500919729.db2.gz GUPDLOOSLHFDLL-NSHGMRRFSA-N 1 1 359.514 3.492 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000439693765 500927775 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ZINC000450042906 501162682 /nfs/dbraw/zinc/16/26/82/501162682.db2.gz AEYOSIABDBOEMP-AWEZNQCLSA-N 1 1 373.254 3.131 20 30 FGEDMO C=CCC1(C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CCCCC1 ZINC000450175167 501200468 /nfs/dbraw/zinc/20/04/68/501200468.db2.gz VUWRUSZPGOYBDX-FQEVSTJZSA-N 1 1 356.510 3.048 20 30 FGEDMO N#CC1(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)CC1 ZINC000451190242 501250979 /nfs/dbraw/zinc/25/09/79/501250979.db2.gz KXIPEWBKTJZZRT-AWEZNQCLSA-N 1 1 366.246 3.459 20 30 FGEDMO CC[C@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000455275618 501260811 /nfs/dbraw/zinc/26/08/11/501260811.db2.gz RCHNUZYIMJRVLN-IHPCNDPISA-N 1 1 354.498 3.375 20 30 FGEDMO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ncc1C#N ZINC000457621008 501269980 /nfs/dbraw/zinc/26/99/80/501269980.db2.gz URLBPCSDLZQVKS-QHCPKHFHSA-N 1 1 374.488 3.390 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451349985 501272724 /nfs/dbraw/zinc/27/27/24/501272724.db2.gz 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CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@H]1C ZINC000451563152 501325528 /nfs/dbraw/zinc/32/55/28/501325528.db2.gz JSBZKKOUCGXNNQ-KUHUBIRLSA-N 1 1 372.513 3.387 20 30 FGEDMO C=CCn1c(-c2ccccc2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453450196 501335169 /nfs/dbraw/zinc/33/51/69/501335169.db2.gz QTZBNWMHQLMBAV-YQVWRLOYSA-N 1 1 351.498 3.298 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000453458468 501337649 /nfs/dbraw/zinc/33/76/49/501337649.db2.gz AEXQLWKDPSIIIR-BZSNNMDCSA-N 1 1 361.534 3.262 20 30 FGEDMO C=C(C)Cn1c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)nnc1[C@]1(C)CCCO1 ZINC000453470273 501340756 /nfs/dbraw/zinc/34/07/56/501340756.db2.gz PHKWUWPULLMDGE-UWJYYQICSA-N 1 1 373.545 3.190 20 30 FGEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc(C#N)c1Br ZINC000451814238 501378001 /nfs/dbraw/zinc/37/80/01/501378001.db2.gz SSSFQLLCTYIUBJ-LBPRGKRZSA-N 1 1 352.276 3.171 20 30 FGEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455751716 501378755 /nfs/dbraw/zinc/37/87/55/501378755.db2.gz BKXXWDMSAHCWOQ-UHFFFAOYSA-N 1 1 361.833 3.185 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000455766257 501381776 /nfs/dbraw/zinc/38/17/76/501381776.db2.gz TUGXXJYZCORYSV-RDJZCZTQSA-N 1 1 355.829 3.174 20 30 FGEDMO CO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000451854775 501386900 /nfs/dbraw/zinc/38/69/00/501386900.db2.gz RIIJWQRAVDETIK-VQTJNVASSA-N 1 1 369.509 3.440 20 30 FGEDMO COC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000452074356 501429791 /nfs/dbraw/zinc/42/97/91/501429791.db2.gz CDQRRENZZQUPGW-MSOLQXFVSA-N 1 1 373.497 3.079 20 30 FGEDMO C=CC(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000452145200 501445347 /nfs/dbraw/zinc/44/53/47/501445347.db2.gz FVUUSERAKKKYAL-IBGZPJMESA-N 1 1 356.510 3.244 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)C[C@H](C)O1 ZINC000452562046 501523712 /nfs/dbraw/zinc/52/37/12/501523712.db2.gz 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351.498 3.313 20 30 FGEDMO CN(CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCCC1 ZINC000479954406 502429822 /nfs/dbraw/zinc/42/98/22/502429822.db2.gz DTODTVMIPNXUAM-UHFFFAOYSA-N 1 1 351.498 3.313 20 30 FGEDMO CCC[N@@H+](CC)CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000472750307 502430989 /nfs/dbraw/zinc/43/09/89/502430989.db2.gz LSNJAPYMIULIHM-UHFFFAOYSA-N 1 1 350.466 3.335 20 30 FGEDMO Cc1ccc(-c2noc([C@@H](C)N3CC[NH+]([C@@H](C)CCC#N)CC3)n2)cc1 ZINC000472776827 502438290 /nfs/dbraw/zinc/43/82/90/502438290.db2.gz UMXAUNKDIVZYOO-DLBZAZTESA-N 1 1 353.470 3.416 20 30 FGEDMO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000476275876 502440376 /nfs/dbraw/zinc/44/03/76/502440376.db2.gz SMLLPLIYLCQBMQ-KRWDZBQOSA-N 1 1 358.482 3.141 20 30 FGEDMO C=CCCC1(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000476275876 502440380 /nfs/dbraw/zinc/44/03/80/502440380.db2.gz SMLLPLIYLCQBMQ-KRWDZBQOSA-N 1 1 358.482 3.141 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000466034230 502460485 /nfs/dbraw/zinc/46/04/85/502460485.db2.gz AWCQYWJKXVOUJP-APWZRJJASA-N 1 1 370.497 3.105 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000466034232 502460968 /nfs/dbraw/zinc/46/09/68/502460968.db2.gz AWCQYWJKXVOUJP-QFBILLFUSA-N 1 1 370.497 3.105 20 30 FGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC#Cc1ccccc1 ZINC000483733622 502478153 /nfs/dbraw/zinc/47/81/53/502478153.db2.gz WPPZYZLSAVVPMO-GOSISDBHSA-N 1 1 368.502 3.271 20 30 FGEDMO N#Cc1ccc2c(c1)N(C(=O)c1cnn(-c3cc[nH+]cc3)c1C(F)F)CC2 ZINC000469682551 502500211 /nfs/dbraw/zinc/50/02/11/502500211.db2.gz VCLJBNVWWOLPEK-UHFFFAOYSA-N 1 1 365.343 3.279 20 30 FGEDMO C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000483949212 502529169 /nfs/dbraw/zinc/52/91/69/502529169.db2.gz SEDSDYRMBASHQJ-SFHVURJKSA-N 1 1 367.468 3.420 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](CO)c1ccsc1 ZINC000473172177 502535277 /nfs/dbraw/zinc/53/52/77/502535277.db2.gz TWXQTUKQFWMRHJ-BBRMVZONSA-N 1 1 350.509 3.036 20 30 FGEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487813470 502536437 /nfs/dbraw/zinc/53/64/37/502536437.db2.gz DORYYZMDPQXHEH-LBPRGKRZSA-N 1 1 365.275 3.126 20 30 FGEDMO C=CCCCCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000473307423 502563565 /nfs/dbraw/zinc/56/35/65/502563565.db2.gz HQJXNYYTWMCAOV-QGZVFWFLSA-N 1 1 357.498 3.330 20 30 FGEDMO C[C@@H](NC(=O)NCc1ccc(CC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582603121 506321128 /nfs/dbraw/zinc/32/11/28/506321128.db2.gz MTFGIZDEVJWJLB-VQIMIIECSA-N 1 1 354.498 3.205 20 30 FGEDMO C=C(C)[C@H](CC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)OCC ZINC000469857493 502570196 /nfs/dbraw/zinc/57/01/96/502570196.db2.gz ZEKNCUPNIFWNLU-OALUTQOASA-N 1 1 362.539 3.092 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC#Cc1ccccc1)C1CC1 ZINC000476723181 502572150 /nfs/dbraw/zinc/57/21/50/502572150.db2.gz VMTZIWSZFWVYGP-QFIPXVFZSA-N 1 1 361.489 3.248 20 30 FGEDMO C[C@H](c1ccc(NC(=O)N(C)[C@H]2CCC[C@@H]2C#N)cc1)[NH+]1CCOCC1 ZINC000602839304 506322263 /nfs/dbraw/zinc/32/22/63/506322263.db2.gz XVRHGBIEXQNKKK-SUMDDJOVSA-N 1 1 356.470 3.236 20 30 FGEDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487972772 502586734 /nfs/dbraw/zinc/58/67/34/502586734.db2.gz ZKMRLKZUFPCSEH-UHFFFAOYSA-N 1 1 353.264 3.174 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487991996 502592677 /nfs/dbraw/zinc/59/26/77/502592677.db2.gz KDHWVEIABIZWIM-LBPRGKRZSA-N 1 1 365.275 3.317 20 30 FGEDMO C=CCC[C@@H](CC)[NH2+]c1ccc(N2CCS(=O)(=O)CC2)cc1OC ZINC000480658947 502635178 /nfs/dbraw/zinc/63/51/78/502635178.db2.gz FBBAYZANTFNBRC-OAHLLOKOSA-N 1 1 352.500 3.087 20 30 FGEDMO C=CCC[C@H](CCC)[NH2+]c1ccc(N2CCS(=O)(=O)CC2)cc1OC ZINC000480696278 502646174 /nfs/dbraw/zinc/64/61/74/502646174.db2.gz WKSIXMCOXQARMW-INIZCTEOSA-N 1 1 366.527 3.477 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477050294 502661251 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/nfs/dbraw/zinc/86/31/64/502863164.db2.gz RNIFZTLVJWIAHR-INIZCTEOSA-N 1 1 371.412 3.023 20 30 FGEDMO C=CCN(CCc1ccco1)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000497412994 502952314 /nfs/dbraw/zinc/95/23/14/502952314.db2.gz XUHOFAOUAVMTRF-GOSISDBHSA-N 1 1 367.493 3.467 20 30 FGEDMO C[N@@H+](CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)[C@H]1CCSC1 ZINC000501212593 502959437 /nfs/dbraw/zinc/95/94/37/502959437.db2.gz WKJVVIKOLLNMLW-GXFFZTMASA-N 1 1 358.294 3.112 20 30 FGEDMO CN(C(=O)C[NH+]1CCC(c2ccc(F)cn2)CC1)C1(C#N)CCCCC1 ZINC000602903535 506344370 /nfs/dbraw/zinc/34/43/70/506344370.db2.gz IOUBUHBYPGUZOH-UHFFFAOYSA-N 1 1 358.461 3.085 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602906700 506345716 /nfs/dbraw/zinc/34/57/16/506345716.db2.gz ZLQDRFQCCNVPCR-CQSZACIVSA-N 1 1 352.413 3.299 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000501376707 502995635 /nfs/dbraw/zinc/99/56/35/502995635.db2.gz NFZFOBLPWYUEHM-AWEZNQCLSA-N 1 1 351.288 3.470 20 30 FGEDMO CC[N@@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497621455 503002859 /nfs/dbraw/zinc/00/28/59/503002859.db2.gz VECURDIDWLJPFZ-MRXNPFEDSA-N 1 1 371.506 3.392 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(F)c1C#N ZINC000489699576 503014404 /nfs/dbraw/zinc/01/44/04/503014404.db2.gz HDUMLGHAHPATKJ-FOIQADDNSA-N 1 1 351.425 3.338 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909216 506347709 /nfs/dbraw/zinc/34/77/09/506347709.db2.gz JNOQUQQIILOXBE-OAHLLOKOSA-N 1 1 359.433 3.032 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000490158033 503119209 /nfs/dbraw/zinc/11/92/09/503119209.db2.gz PVFRBQMRGJIXJB-KRWDZBQOSA-N 1 1 372.517 3.393 20 30 FGEDMO C=CCOc1ccccc1C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000498154505 503119711 /nfs/dbraw/zinc/11/97/11/503119711.db2.gz YFFUZIBVNFOMDR-IBGZPJMESA-N 1 1 360.498 3.118 20 30 FGEDMO Cc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc(C)c1OC(F)F ZINC000506659816 503151401 /nfs/dbraw/zinc/15/14/01/503151401.db2.gz GHASHLGEORKXJP-UHFFFAOYSA-N 1 1 372.419 3.494 20 30 FGEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000514764373 503186644 /nfs/dbraw/zinc/18/66/44/503186644.db2.gz OLVWXZKFVQGYEV-CABCVRRESA-N 1 1 370.371 3.120 20 30 FGEDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000514764373 503186646 /nfs/dbraw/zinc/18/66/46/503186646.db2.gz OLVWXZKFVQGYEV-CABCVRRESA-N 1 1 370.371 3.120 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000506913332 503193806 /nfs/dbraw/zinc/19/38/06/503193806.db2.gz DSGUGKNXFLGTDD-TZIWHRDSSA-N 1 1 353.510 3.334 20 30 FGEDMO C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502520481 503216993 /nfs/dbraw/zinc/21/69/93/503216993.db2.gz BZLKVSYBBVFJGD-INIZCTEOSA-N 1 1 363.436 3.491 20 30 FGEDMO C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502520481 503216996 /nfs/dbraw/zinc/21/69/96/503216996.db2.gz BZLKVSYBBVFJGD-INIZCTEOSA-N 1 1 363.436 3.491 20 30 FGEDMO CCC1(C)CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000507164521 503241901 /nfs/dbraw/zinc/24/19/01/503241901.db2.gz JXFMXEZUFGCBNH-UHFFFAOYSA-N 1 1 351.454 3.195 20 30 FGEDMO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1F)C(=O)NC1(C#N)CCC1 ZINC000507221695 503253964 /nfs/dbraw/zinc/25/39/64/503253964.db2.gz NAGHRJZIKGDVTJ-GHMZBOCLSA-N 1 1 368.250 3.190 20 30 FGEDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)nn1-c1cccc(C#N)c1 ZINC000502947844 503312758 /nfs/dbraw/zinc/31/27/58/503312758.db2.gz HFXBNBVRMFPJBX-WBVHZDCISA-N 1 1 365.481 3.045 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC#Cc1cccc(F)c1 ZINC000511437818 503322442 /nfs/dbraw/zinc/32/24/42/503322442.db2.gz HLEJJFZGSWATFD-GOSISDBHSA-N 1 1 365.452 3.093 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC#Cc1cccc(F)c1 ZINC000511437818 503322446 /nfs/dbraw/zinc/32/24/46/503322446.db2.gz HLEJJFZGSWATFD-GOSISDBHSA-N 1 1 365.452 3.093 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000515446255 503339323 /nfs/dbraw/zinc/33/93/23/503339323.db2.gz YXWBIZCBGFFOAC-CQSZACIVSA-N 1 1 361.873 3.431 20 30 FGEDMO COC(=O)c1cccc(C[NH+]2CCC(Cc3nccs3)CC2)c1C#N ZINC000602958235 506366863 /nfs/dbraw/zinc/36/68/63/506366863.db2.gz ZSGZIFJYSBSKDU-UHFFFAOYSA-N 1 1 355.463 3.256 20 30 FGEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000511657158 503364021 /nfs/dbraw/zinc/36/40/21/503364021.db2.gz QFBKMAPQWXCOGE-GCDKYVQMSA-N 1 1 351.368 3.292 20 30 FGEDMO COC(=O)c1oc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1C ZINC000507775231 503364434 /nfs/dbraw/zinc/36/44/34/503364434.db2.gz ZQSSMBIIWYBZIP-UHFFFAOYSA-N 1 1 354.406 3.290 20 30 FGEDMO C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)C1CC1 ZINC000507821320 503373912 /nfs/dbraw/zinc/37/39/12/503373912.db2.gz DOHPDAJDOXDQPT-MRXNPFEDSA-N 1 1 367.493 3.191 20 30 FGEDMO Cc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000511730888 503377135 /nfs/dbraw/zinc/37/71/35/503377135.db2.gz LDCJMUXQKVGAIQ-HXUWFJFHSA-N 1 1 362.477 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503437925 /nfs/dbraw/zinc/43/79/25/503437925.db2.gz OKENKQAJOWKZGM-LJQANCHMSA-N 1 1 373.884 3.431 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000516053767 503437930 /nfs/dbraw/zinc/43/79/30/503437930.db2.gz OKENKQAJOWKZGM-LJQANCHMSA-N 1 1 373.884 3.431 20 30 FGEDMO N#CCc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000516053650 503438083 /nfs/dbraw/zinc/43/80/83/503438083.db2.gz HZGBUPDTMKBWMJ-PZJWPPBQSA-N 1 1 360.461 3.491 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)o2)cc1 ZINC000516148419 503455454 /nfs/dbraw/zinc/45/54/54/503455454.db2.gz ZTVZLLJXBCSAQY-KZNAEPCWSA-N 1 1 352.438 3.124 20 30 FGEDMO C=C(C)C[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccc(CO)o1 ZINC000512218846 503489466 /nfs/dbraw/zinc/48/94/66/503489466.db2.gz LYQJORFIDBMTKX-UHFFFAOYSA-N 1 1 370.449 3.381 20 30 FGEDMO C=C(C)C[N@@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)Cc1ccc(CO)o1 ZINC000512218846 503489469 /nfs/dbraw/zinc/48/94/69/503489469.db2.gz LYQJORFIDBMTKX-UHFFFAOYSA-N 1 1 370.449 3.381 20 30 FGEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)c2)CCO1 ZINC000516358194 503500363 /nfs/dbraw/zinc/50/03/63/503500363.db2.gz FMUFOTGHUZVROT-HNNXBMFYSA-N 1 1 366.421 3.299 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)c2)CCO1 ZINC000516358194 503500367 /nfs/dbraw/zinc/50/03/67/503500367.db2.gz FMUFOTGHUZVROT-HNNXBMFYSA-N 1 1 366.421 3.299 20 30 FGEDMO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508508860 503508699 /nfs/dbraw/zinc/50/86/99/503508699.db2.gz YAKMRSMEIRRYSP-UHFFFAOYSA-N 1 1 373.504 3.493 20 30 FGEDMO C=CCCc1ccccc1NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000504016559 503510995 /nfs/dbraw/zinc/51/09/95/503510995.db2.gz AYAOPGKPJJEEAV-QGZVFWFLSA-N 1 1 371.525 3.370 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000499993922 503529510 /nfs/dbraw/zinc/52/95/10/503529510.db2.gz CVTHULHFNZJFSV-FQEVSTJZSA-N 1 1 363.461 3.158 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000499993922 503529513 /nfs/dbraw/zinc/52/95/13/503529513.db2.gz CVTHULHFNZJFSV-FQEVSTJZSA-N 1 1 363.461 3.158 20 30 FGEDMO N#Cc1cccc(F)c1CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000508690483 503543664 /nfs/dbraw/zinc/54/36/64/503543664.db2.gz RZULKPGNRWDWTB-IBGZPJMESA-N 1 1 365.452 3.411 20 30 FGEDMO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000500163129 503568829 /nfs/dbraw/zinc/56/88/29/503568829.db2.gz BNIXSXCVENEORJ-UHFFFAOYSA-N 1 1 367.424 3.466 20 30 FGEDMO CC(C)(CNC(=O)NCC#Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000504778774 503614723 /nfs/dbraw/zinc/61/47/23/503614723.db2.gz MGAACGPUQNTYKH-UHFFFAOYSA-N 1 1 361.489 3.174 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)C(C)(C)C1 ZINC000500481620 503633846 /nfs/dbraw/zinc/63/38/46/503633846.db2.gz NPKYXDNSJBWDKK-UHFFFAOYSA-N 1 1 363.461 3.303 20 30 FGEDMO CCCCCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512800555 503634475 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CN1CC[C@@H](CNC(=[NH2+])NC2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262049714 713717917 /nfs/dbraw/zinc/71/79/17/713717917.db2.gz VOAMXVHIJMLHNZ-SUMWQHHRSA-N 1 1 352.885 3.319 20 30 FGEDMO CCN(CC)[C@@H](CNC(=[NH2+])NCCc1cccs1)Cc1ccccc1 ZINC000303874384 713789458 /nfs/dbraw/zinc/78/94/58/713789458.db2.gz DAVHSBRFHXVQNP-GOSISDBHSA-N 1 1 358.555 3.148 20 30 FGEDMO CC(C)[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Br)cc1 ZINC000526135644 714409047 /nfs/dbraw/zinc/40/90/47/714409047.db2.gz DNUSIGQPNOTYEQ-UHFFFAOYSA-N 1 1 364.287 3.222 20 30 FGEDMO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)o1 ZINC000617196073 714635911 /nfs/dbraw/zinc/63/59/11/714635911.db2.gz NKNZTPRYMHIUDA-CYBMUJFWSA-N 1 1 361.243 3.392 20 30 FGEDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)o1 ZINC000617196073 714635913 /nfs/dbraw/zinc/63/59/13/714635913.db2.gz NKNZTPRYMHIUDA-CYBMUJFWSA-N 1 1 361.243 3.392 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000779154607 724396254 /nfs/dbraw/zinc/39/62/54/724396254.db2.gz YJWLRBFMJGXMCH-INIZCTEOSA-N 1 1 360.885 3.090 20 30 FGEDMO CC(=O)N(c1nc(C=NNc2cc[nH+]cc2)cs1)c1ccc(C)cc1 ZINC000779812163 724428430 /nfs/dbraw/zinc/42/84/30/724428430.db2.gz ZRNTVEZFLHLKRQ-UHFFFAOYSA-N 1 1 351.435 3.399 20 30 FGEDMO C=CCOc1c(Cl)cc(C[NH+]2CCC(CC(=O)NC)CC2)cc1OC ZINC000628182463 716121329 /nfs/dbraw/zinc/12/13/29/716121329.db2.gz VODZNBZYPOFSLC-UHFFFAOYSA-N 1 1 366.889 3.262 20 30 FGEDMO O=c1c(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cccn1C(F)F ZINC000638160283 717414829 /nfs/dbraw/zinc/41/48/29/717414829.db2.gz WFBSVIHGLXLYAX-RKDXNWHRSA-N 1 1 364.236 3.416 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000780354991 724458898 /nfs/dbraw/zinc/45/88/98/724458898.db2.gz ZJKXKXPBMWZXPH-MRXNPFEDSA-N 1 1 358.438 3.127 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000780354991 724458899 /nfs/dbraw/zinc/45/88/99/724458899.db2.gz ZJKXKXPBMWZXPH-MRXNPFEDSA-N 1 1 358.438 3.127 20 30 FGEDMO C=CCSc1ccccc1C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000640522792 717757913 /nfs/dbraw/zinc/75/79/13/717757913.db2.gz VTCYWPVNTHDENB-ZWKOTPCHSA-N 1 1 360.523 3.194 20 30 FGEDMO N#Cc1c(Cl)ncnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164626772 719065260 /nfs/dbraw/zinc/06/52/60/719065260.db2.gz PHGLVNQLQVGZOS-NVXWUHKLSA-N 1 1 353.857 3.102 20 30 FGEDMO C=CC[N@H+](Cc1nc2ccc(Br)cc2n1C)[C@H](C)COC ZINC000661238974 720213250 /nfs/dbraw/zinc/21/32/50/720213250.db2.gz BBNJIXHXROTDIF-GFCCVEGCSA-N 1 1 352.276 3.359 20 30 FGEDMO C=CC[N@@H+](Cc1nc2ccc(Br)cc2n1C)[C@H](C)COC ZINC000661238974 720213254 /nfs/dbraw/zinc/21/32/54/720213254.db2.gz BBNJIXHXROTDIF-GFCCVEGCSA-N 1 1 352.276 3.359 20 30 FGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Br)c(F)cc1O ZINC000783300182 724745926 /nfs/dbraw/zinc/74/59/26/724745926.db2.gz JVMJOCIIPULNHY-SECBINFHSA-N 1 1 350.191 3.411 20 30 FGEDMO N#Cc1c(Cl)ccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900526 721522118 /nfs/dbraw/zinc/52/21/18/721522118.db2.gz RUXPZUBPVKLLOE-ZBFHGGJFSA-N 1 1 372.831 3.088 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676476979 721806747 /nfs/dbraw/zinc/80/67/47/721806747.db2.gz DFCXZUBSZRSRAE-SJORKVTESA-N 1 1 358.511 3.185 20 30 FGEDMO CC(C)[NH+]1CCN(C2CCN(CC#Cc3ccccc3Cl)CC2)CC1 ZINC000677738121 721913336 /nfs/dbraw/zinc/91/33/36/721913336.db2.gz MHKWUUXNWITZEG-UHFFFAOYSA-N 1 1 359.945 3.182 20 30 FGEDMO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc(C#N)cc1Cl ZINC000784230342 724834678 /nfs/dbraw/zinc/83/46/78/724834678.db2.gz MPIHGPDQKNGRLA-KRWDZBQOSA-N 1 1 350.846 3.048 20 30 FGEDMO CO[C@]1(C(F)(F)F)CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000682535317 722254366 /nfs/dbraw/zinc/25/43/66/722254366.db2.gz WCLCLEHSEYGWRN-SECBINFHSA-N 1 1 359.257 3.244 20 30 FGEDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000682535317 722254367 /nfs/dbraw/zinc/25/43/67/722254367.db2.gz WCLCLEHSEYGWRN-SECBINFHSA-N 1 1 359.257 3.244 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000730542926 722469050 /nfs/dbraw/zinc/46/90/50/722469050.db2.gz AAHATVWQYHWZTN-HZPDHXFCSA-N 1 1 351.277 3.264 20 30 FGEDMO C#CCCNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000733355707 722496223 /nfs/dbraw/zinc/49/62/23/722496223.db2.gz BWAPWFCJJVZQKG-UHFFFAOYSA-N 1 1 354.281 3.280 20 30 FGEDMO C#CC[N@@H+](CCC(=O)OCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733614037 722499681 /nfs/dbraw/zinc/49/96/81/722499681.db2.gz VLCQHAYZPWJZOZ-OAHLLOKOSA-N 1 1 366.255 3.161 20 30 FGEDMO C#CC[N@H+](CCC(=O)OCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733614037 722499682 /nfs/dbraw/zinc/49/96/82/722499682.db2.gz VLCQHAYZPWJZOZ-OAHLLOKOSA-N 1 1 366.255 3.161 20 30 FGEDMO COC1CCC([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000734488148 722507767 /nfs/dbraw/zinc/50/77/67/722507767.db2.gz ZSIIWHGFELKWAO-NRXISQOPSA-N 1 1 357.479 3.362 20 30 FGEDMO COC1CCC([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 ZINC000734488148 722507768 /nfs/dbraw/zinc/50/77/68/722507768.db2.gz ZSIIWHGFELKWAO-NRXISQOPSA-N 1 1 357.479 3.362 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000737828010 722527421 /nfs/dbraw/zinc/52/74/21/722527421.db2.gz YKKKHDNZCHXPCG-HNNXBMFYSA-N 1 1 352.400 3.052 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000745695774 722589632 /nfs/dbraw/zinc/58/96/32/722589632.db2.gz UKXMIENKNDVKLM-LJQANCHMSA-N 1 1 358.555 3.375 20 30 FGEDMO COc1cc(C[NH2+]Cc2cc(C#N)ccc2F)cc(Br)c1O ZINC000747099486 722631249 /nfs/dbraw/zinc/63/12/49/722631249.db2.gz CWAYDKMTSYHNDA-UHFFFAOYSA-N 1 1 365.202 3.464 20 30 FGEDMO Clc1ccc(Br)c(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1 ZINC000753933260 722918996 /nfs/dbraw/zinc/91/89/96/722918996.db2.gz DOUAPYNSBRLGQC-CHWSQXEVSA-N 1 1 355.667 3.296 20 30 FGEDMO Clc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)ccc1Br ZINC000754965262 722948375 /nfs/dbraw/zinc/94/83/75/722948375.db2.gz XPGOVXLKAQPLEW-BETUJISGSA-N 1 1 355.667 3.296 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000756543397 722966524 /nfs/dbraw/zinc/96/65/24/722966524.db2.gz MPDUUFJAYBYSNN-HNNXBMFYSA-N 1 1 356.447 3.073 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000756543397 722966525 /nfs/dbraw/zinc/96/65/25/722966525.db2.gz MPDUUFJAYBYSNN-HNNXBMFYSA-N 1 1 356.447 3.073 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000759997369 723033116 /nfs/dbraw/zinc/03/31/16/723033116.db2.gz BLBFXABHMRXYTE-KRWDZBQOSA-N 1 1 373.909 3.220 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000759997369 723033118 /nfs/dbraw/zinc/03/31/18/723033118.db2.gz BLBFXABHMRXYTE-KRWDZBQOSA-N 1 1 373.909 3.220 20 30 FGEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)CC(C)(C)C#N ZINC000790008008 723094041 /nfs/dbraw/zinc/09/40/41/723094041.db2.gz WQQNMRXGXLOYOS-INIZCTEOSA-N 1 1 363.527 3.030 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=S)Nc1ccccc1C#N ZINC000764930612 723460518 /nfs/dbraw/zinc/46/05/18/723460518.db2.gz MSGRNXCZVNMHDL-BEFAXECRSA-N 1 1 350.491 3.365 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000794708129 723542254 /nfs/dbraw/zinc/54/22/54/723542254.db2.gz XSTFOJIPFUYTQA-KXBFYZLASA-N 1 1 359.495 3.152 20 30 FGEDMO C[C@H](NC(=S)NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000768366494 723655506 /nfs/dbraw/zinc/65/55/06/723655506.db2.gz INHGRJKUXQHLDI-ZOCIIQOWSA-N 1 1 356.539 3.432 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000769020024 723674576 /nfs/dbraw/zinc/67/45/76/723674576.db2.gz ABNDVJJZZGOZOP-UHFFFAOYSA-N 1 1 358.791 3.320 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000769896868 723699463 /nfs/dbraw/zinc/69/94/63/723699463.db2.gz GXOKHCPAKIFSMP-ABAIWWIYSA-N 1 1 362.779 3.378 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000769896868 723699465 /nfs/dbraw/zinc/69/94/65/723699465.db2.gz GXOKHCPAKIFSMP-ABAIWWIYSA-N 1 1 362.779 3.378 20 30 FGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000775184060 723969305 /nfs/dbraw/zinc/96/93/05/723969305.db2.gz ULHZLPMUCABHGH-CYBMUJFWSA-N 1 1 368.271 3.153 20 30 FGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000775184060 723969306 /nfs/dbraw/zinc/96/93/06/723969306.db2.gz ULHZLPMUCABHGH-CYBMUJFWSA-N 1 1 368.271 3.153 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1c(C)c(C)sc1Br ZINC000799609634 724066898 /nfs/dbraw/zinc/06/68/98/724066898.db2.gz RLIXVGFGVPSBEO-GFCCVEGCSA-N 1 1 356.285 3.382 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1c(C)c(C)sc1Br ZINC000799609634 724066907 /nfs/dbraw/zinc/06/69/07/724066907.db2.gz RLIXVGFGVPSBEO-GFCCVEGCSA-N 1 1 356.285 3.382 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(Cl)c(C#N)c2)cn1 ZINC000777796443 724258466 /nfs/dbraw/zinc/25/84/66/724258466.db2.gz GRGJCLVHVVOYKD-UHFFFAOYSA-N 1 1 351.797 3.031 20 30 FGEDMO CCCCCCCOc1cccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000785979042 724953197 /nfs/dbraw/zinc/95/31/97/724953197.db2.gz KVQRMLXLPMEVCT-IBGZPJMESA-N 1 1 368.543 3.289 20 30 FGEDMO CCCCCCCOc1cccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c1 ZINC000785979042 724953198 /nfs/dbraw/zinc/95/31/98/724953198.db2.gz KVQRMLXLPMEVCT-IBGZPJMESA-N 1 1 368.543 3.289 20 30 FGEDMO C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805785088 725095111 /nfs/dbraw/zinc/09/51/11/725095111.db2.gz DJEHFHFGOPGFED-XEZPLFJOSA-N 1 1 353.388 3.030 20 30 FGEDMO C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805785088 725095119 /nfs/dbraw/zinc/09/51/19/725095119.db2.gz DJEHFHFGOPGFED-XEZPLFJOSA-N 1 1 353.388 3.030 20 30 FGEDMO C#CC[N@H+](CCC[C@H](C)O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000789321981 725122166 /nfs/dbraw/zinc/12/21/66/725122166.db2.gz CJGJVCUABXGYJB-XJKSGUPXSA-N 1 1 352.272 3.369 20 30 FGEDMO C#Cc1cncc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000806278856 725122505 /nfs/dbraw/zinc/12/25/05/725122505.db2.gz XQTIWSWSTOYCSE-IBGZPJMESA-N 1 1 353.853 3.283 20 30 FGEDMO C=CCCCCCCNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000807569508 725163486 /nfs/dbraw/zinc/16/34/86/725163486.db2.gz HGZZNFHZGJGXPD-GBESFXJTSA-N 1 1 351.535 3.406 20 30 FGEDMO C[NH+](C)Cc1cnc(CN2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000809548986 725246665 /nfs/dbraw/zinc/24/66/65/725246665.db2.gz DETKGDGPWKRYLG-UHFFFAOYSA-N 1 1 356.495 3.120 20 30 FGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCn2cc(Br)cn2)cc1 ZINC000809792599 725268971 /nfs/dbraw/zinc/26/89/71/725268971.db2.gz BPIGXRLLFNMBSV-CYBMUJFWSA-N 1 1 363.259 3.068 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000818606596 727316476 /nfs/dbraw/zinc/31/64/76/727316476.db2.gz YPODMHOQVFBYPA-QINSGFPZSA-N 1 1 358.791 3.357 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000818602984 727316527 /nfs/dbraw/zinc/31/65/27/727316527.db2.gz KWNGXKHJBHCILM-OBGWFSINSA-N 1 1 356.466 3.499 20 30 FGEDMO C[C@H](C#N)Oc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000826893725 729418253 /nfs/dbraw/zinc/41/82/53/729418253.db2.gz AKLNQCBQTXUKJU-OAHLLOKOSA-N 1 1 352.463 3.233 20 30 FGEDMO COC(=O)c1nc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)ccc1Cl ZINC000826981402 729420726 /nfs/dbraw/zinc/42/07/26/729420726.db2.gz VDGNWASZNADQGS-LBPRGKRZSA-N 1 1 359.813 3.102 20 30 FGEDMO C#CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000829793908 729512501 /nfs/dbraw/zinc/51/25/01/729512501.db2.gz NKVGSUZJJCTESA-ZDUSSCGKSA-N 1 1 350.846 3.031 20 30 FGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000829793908 729512502 /nfs/dbraw/zinc/51/25/02/729512502.db2.gz NKVGSUZJJCTESA-ZDUSSCGKSA-N 1 1 350.846 3.031 20 30 FGEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC000831096119 729617606 /nfs/dbraw/zinc/61/76/06/729617606.db2.gz SBIYYXCVGYKAKW-HNNXBMFYSA-N 1 1 350.344 3.298 20 30 FGEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000837622749 730048729 /nfs/dbraw/zinc/04/87/29/730048729.db2.gz HTCVKVUVULQAPS-HNAYVOBHSA-N 1 1 352.475 3.054 20 30 FGEDMO C#CCC[NH+]1CCN(c2nc(C(F)(F)F)c(Br)s2)CC1 ZINC000842022177 730287791 /nfs/dbraw/zinc/28/77/91/730287791.db2.gz QZHOKXCYROWEFO-UHFFFAOYSA-N 1 1 368.222 3.070 20 30 FGEDMO N#Cc1csc(COC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000842080771 730292481 /nfs/dbraw/zinc/29/24/81/730292481.db2.gz SLYFXMGUMSVXHW-AWEZNQCLSA-N 1 1 359.426 3.109 20 30 FGEDMO N#Cc1c(Cl)nsc1N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000845668198 730876706 /nfs/dbraw/zinc/87/67/06/730876706.db2.gz UMMPBWUIXNALLN-HZPDHXFCSA-N 1 1 374.897 3.148 20 30 FGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000847021944 731008264 /nfs/dbraw/zinc/00/82/64/731008264.db2.gz DEPWBUZHXSPTLM-CABCVRRESA-N 1 1 363.299 3.141 20 30 FGEDMO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848351490 731158190 /nfs/dbraw/zinc/15/81/90/731158190.db2.gz DOTIDZAGFYLWBT-DLBZAZTESA-N 1 1 350.384 3.190 20 30 FGEDMO CCCCCCC[C@@H](C)CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853467852 731707580 /nfs/dbraw/zinc/70/75/80/731707580.db2.gz QNVPSWRBYUSYST-MJGOQNOKSA-N 1 1 353.551 3.224 20 30 FGEDMO C=C(Br)CN1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856598204 732040578 /nfs/dbraw/zinc/04/05/78/732040578.db2.gz GJNKUPFBDNAPBI-KRWDZBQOSA-N 1 1 368.319 3.284 20 30 FGEDMO C=CCOCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000859606965 732359842 /nfs/dbraw/zinc/35/98/42/732359842.db2.gz UAHNFEZWZAJZHA-KBPBESRZSA-N 1 1 366.424 3.214 20 30 FGEDMO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000863033931 732907243 /nfs/dbraw/zinc/90/72/43/732907243.db2.gz ZFVFLCJMBWJKOQ-KRWDZBQOSA-N 1 1 350.384 3.190 20 30 FGEDMO C=C(Cl)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000865302743 733177012 /nfs/dbraw/zinc/17/70/12/733177012.db2.gz TZPHUUYAJXDOKB-PVAVHDDUSA-N 1 1 361.873 3.103 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1CC#N ZINC000866201950 733324329 /nfs/dbraw/zinc/32/43/29/733324329.db2.gz XIUUNTZMKMKOAP-KRWDZBQOSA-N 1 1 353.491 3.408 20 30 FGEDMO C[C@H](NC(=O)c1sccc1CC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867265042 733461585 /nfs/dbraw/zinc/46/15/85/733461585.db2.gz CONZFZMKRQGRHM-YJBOKZPZSA-N 1 1 353.491 3.455 20 30 FGEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000868586081 733613160 /nfs/dbraw/zinc/61/31/60/733613160.db2.gz QGPYGDPTSXNFDB-SFHVURJKSA-N 1 1 354.841 3.198 20 30 FGEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000868586081 733613161 /nfs/dbraw/zinc/61/31/61/733613161.db2.gz QGPYGDPTSXNFDB-SFHVURJKSA-N 1 1 354.841 3.198 20 30 FGEDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000870784837 733888333 /nfs/dbraw/zinc/88/83/33/733888333.db2.gz KGCKWRQVNOMTLU-SMDDNHRTSA-N 1 1 355.360 3.392 20 30 FGEDMO CSc1nnc(SC)n1[NH+]=C[C@@H](CC1CC1)NC(=O)OC(C)(C)C ZINC000872417576 735626512 /nfs/dbraw/zinc/62/65/12/735626512.db2.gz FSEPOJAUKYEFKR-LLVKDONJSA-N 1 1 371.532 3.249 20 30 FGEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c1 ZINC000876928717 736163783 /nfs/dbraw/zinc/16/37/83/736163783.db2.gz MJZJGUHKXAQKLN-UHFFFAOYSA-N 1 1 356.735 3.233 20 30 FGEDMO CC(C)C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(=O)Nc1nccs1 ZINC000877119443 736189031 /nfs/dbraw/zinc/18/90/31/736189031.db2.gz YIWOQMJNAJAFGS-CYBMUJFWSA-N 1 1 363.874 3.206 20 30 FGEDMO C#CC[C@H](CO)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000883122959 737526823 /nfs/dbraw/zinc/52/68/23/737526823.db2.gz GMOVJOCDZQYANT-CYBMUJFWSA-N 1 1 351.269 3.046 20 30 FGEDMO CSc1ccc(C[NH2+]Cc2c(Br)c(C)nn2C)cc1C#N ZINC000886277434 739238185 /nfs/dbraw/zinc/23/81/85/739238185.db2.gz QIQKWEIJEFOYAJ-UHFFFAOYSA-N 1 1 365.300 3.374 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886566605 739269078 /nfs/dbraw/zinc/26/90/78/739269078.db2.gz URQXYOVNOVNHSA-SOUVJXGZSA-N 1 1 361.536 3.314 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886566605 739269082 /nfs/dbraw/zinc/26/90/82/739269082.db2.gz URQXYOVNOVNHSA-SOUVJXGZSA-N 1 1 361.536 3.314 20 30 FGEDMO C=CCC1(O)CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000886766991 739294766 /nfs/dbraw/zinc/29/47/66/739294766.db2.gz XBYYABOUZMNENH-UHFFFAOYSA-N 1 1 371.308 3.055 20 30 FGEDMO C=CCC1(O)CC[NH+](Cc2nc3ccc(Br)cc3o2)CC1 ZINC000886778509 739298236 /nfs/dbraw/zinc/29/82/36/739298236.db2.gz DRLXSTWQZKYKBV-UHFFFAOYSA-N 1 1 351.244 3.493 20 30 FGEDMO Cc1nsc(N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000891434720 739902763 /nfs/dbraw/zinc/90/27/63/739902763.db2.gz VAPSBMRVISEEDT-MRXNPFEDSA-N 1 1 354.479 3.198 20 30 FGEDMO C#C[C@@H](NCc1ncc(C[NH+](C)C)s1)c1ccc(Br)cc1 ZINC000894870737 742345080 /nfs/dbraw/zinc/34/50/80/742345080.db2.gz NSDGYTYALWRPJS-OAHLLOKOSA-N 1 1 364.312 3.431 20 30 FGEDMO N#Cc1cnc2c(Cl)cccc2c1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896521805 742561312 /nfs/dbraw/zinc/56/13/12/742561312.db2.gz FPNIMSALMQEQID-OAHLLOKOSA-N 1 1 356.857 3.425 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(NCc3nc4c(s3)CCC4)CC2)cc1 ZINC000903191414 743820363 /nfs/dbraw/zinc/82/03/63/743820363.db2.gz VYEGXWJVHBLIAH-UHFFFAOYSA-N 1 1 352.507 3.258 20 30 FGEDMO N#Cc1sccc1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000908145003 744263992 /nfs/dbraw/zinc/26/39/92/744263992.db2.gz CCXUWFVHXKPKNV-HXUWFJFHSA-N 1 1 351.475 3.358 20 30 FGEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1CC(C)C)CCO2 ZINC000949196883 762372538 /nfs/dbraw/zinc/37/25/38/762372538.db2.gz MWRMXLUPGKFNDX-IAGOWNOFSA-N 1 1 354.922 3.115 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](CC)N1CCCC1 ZINC000915228229 757902264 /nfs/dbraw/zinc/90/22/64/757902264.db2.gz JWASQFRVEAYVMU-KRWDZBQOSA-N 1 1 365.315 3.425 20 30 FGEDMO C=CC[N@H+](CC(=O)Nc1ccc(I)cc1)C(C)C ZINC000917166822 758187038 /nfs/dbraw/zinc/18/70/38/758187038.db2.gz IRMIASDQLZFAJX-UHFFFAOYSA-N 1 1 358.223 3.126 20 30 FGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(I)cc1)C(C)C ZINC000917166822 758187042 /nfs/dbraw/zinc/18/70/42/758187042.db2.gz IRMIASDQLZFAJX-UHFFFAOYSA-N 1 1 358.223 3.126 20 30 FGEDMO Cc1nc(C[NH2+]Cc2ccc(OCC#N)cc2)sc1Br ZINC000921692069 758771508 /nfs/dbraw/zinc/77/15/08/758771508.db2.gz CMDUAXLFCQBZEW-UHFFFAOYSA-N 1 1 352.257 3.406 20 30 FGEDMO N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(Cl)c1 ZINC000928102992 760088223 /nfs/dbraw/zinc/08/82/23/760088223.db2.gz KLWHXLCHYPJPPT-ZIAGYGMSSA-N 1 1 370.305 3.175 20 30 FGEDMO N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c(Cl)c1 ZINC000928102992 760088232 /nfs/dbraw/zinc/08/82/32/760088232.db2.gz KLWHXLCHYPJPPT-ZIAGYGMSSA-N 1 1 370.305 3.175 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)C1(C#N)CCSCC1)c1ccccc1Cl ZINC000929370703 760373095 /nfs/dbraw/zinc/37/30/95/760373095.db2.gz QUAVPKATPCHYFT-OAHLLOKOSA-N 1 1 351.903 3.096 20 30 FGEDMO N#CC1(c2ccccn2)CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000930332827 760581503 /nfs/dbraw/zinc/58/15/03/760581503.db2.gz IWSQXYBSEOMWOD-ZBFHGGJFSA-N 1 1 353.388 3.439 20 30 FGEDMO O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000933643648 761444018 /nfs/dbraw/zinc/44/40/18/761444018.db2.gz BLBQKBLHKIILGN-OKILXGFUSA-N 1 1 359.388 3.262 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC=C(Cl)Cl ZINC000969038000 762850593 /nfs/dbraw/zinc/85/05/93/762850593.db2.gz RNZFRBXOINGEOC-KFWWJZLASA-N 1 1 361.313 3.257 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC=C(Cl)Cl ZINC000969038000 762850608 /nfs/dbraw/zinc/85/06/08/762850608.db2.gz RNZFRBXOINGEOC-KFWWJZLASA-N 1 1 361.313 3.257 20 30 FGEDMO C[C@@H](NC(=O)[C@]12C[C@H]1CCC2)C1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000970187611 762870351 /nfs/dbraw/zinc/87/03/51/762870351.db2.gz NPSLNQCXDRNRLN-FQELHTAISA-N 1 1 356.897 3.318 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC000998131542 765100069 /nfs/dbraw/zinc/10/00/69/765100069.db2.gz UFSJNLWPHNJYNC-XHSDSOJGSA-N 1 1 362.436 3.233 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)cc2Cl)C1 ZINC001008574063 765679487 /nfs/dbraw/zinc/67/94/87/765679487.db2.gz HBDBCWFRLUJQHR-SCTDSRPQSA-N 1 1 362.901 3.320 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2Cl)C1 ZINC001008574063 765679493 /nfs/dbraw/zinc/67/94/93/765679493.db2.gz HBDBCWFRLUJQHR-SCTDSRPQSA-N 1 1 362.901 3.320 20 30 FGEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001024614937 766059311 /nfs/dbraw/zinc/05/93/11/766059311.db2.gz LQLZMKJPVRNVFV-RRFJBIMHSA-N 1 1 350.915 3.499 20 30 FGEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC001024617525 766059381 /nfs/dbraw/zinc/05/93/81/766059381.db2.gz IGFWOIYRGHDDOO-RRFJBIMHSA-N 1 1 350.915 3.499 20 30 FGEDMO O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)[C@]12C[C@H]1CCC2 ZINC001028700978 766129744 /nfs/dbraw/zinc/12/97/44/766129744.db2.gz QLNQEVCIENDICF-YRISNDGFSA-N 1 1 356.897 3.320 20 30 FGEDMO O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)[C@]12C[C@H]1CCC2 ZINC001028700978 766129749 /nfs/dbraw/zinc/12/97/49/766129749.db2.gz QLNQEVCIENDICF-YRISNDGFSA-N 1 1 356.897 3.320 20 30 FGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001028790725 766132393 /nfs/dbraw/zinc/13/23/93/766132393.db2.gz HDLQGWXARJINIC-BFHYXJOUSA-N 1 1 354.828 3.259 20 30 FGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC001028790725 766132397 /nfs/dbraw/zinc/13/23/97/766132397.db2.gz HDLQGWXARJINIC-BFHYXJOUSA-N 1 1 354.828 3.259 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(=C)Cl)C2 ZINC001040209907 766300948 /nfs/dbraw/zinc/30/09/48/766300948.db2.gz SUBAEPSBZQVYFD-ZIFCJYIRSA-N 1 1 352.906 3.035 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(=C)Cl)C2 ZINC001040209907 766300953 /nfs/dbraw/zinc/30/09/53/766300953.db2.gz SUBAEPSBZQVYFD-ZIFCJYIRSA-N 1 1 352.906 3.035 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(C)sc2C)C1 ZINC001046325773 766584395 /nfs/dbraw/zinc/58/43/95/766584395.db2.gz CVRMYXCZKGMHDW-HBFSDRIKSA-N 1 1 362.539 3.427 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001048526293 766712447 /nfs/dbraw/zinc/71/24/47/766712447.db2.gz QEUBDMKELDVTTR-PMBDQNQVSA-N 1 1 352.906 3.079 20 30 FGEDMO C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C[C@H]2C1 ZINC001048954443 766753575 /nfs/dbraw/zinc/75/35/75/766753575.db2.gz QSUIBAJVVGHIIH-ZOFXXKQRSA-N 1 1 367.331 3.112 20 30 FGEDMO C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C[C@H]2C1 ZINC001048954443 766753579 /nfs/dbraw/zinc/75/35/79/766753579.db2.gz QSUIBAJVVGHIIH-ZOFXXKQRSA-N 1 1 367.331 3.112 20 30 FGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001049526378 766790398 /nfs/dbraw/zinc/79/03/98/766790398.db2.gz HPAQVMNYQQEUCS-ZJIFWQFVSA-N 1 1 360.420 3.128 20 30 FGEDMO C=C(Br)C[NH+]1CCC2(CN(C(=O)[C@]34C[C@H]3CCC4)C2)CC1 ZINC001050598685 766847930 /nfs/dbraw/zinc/84/79/30/766847930.db2.gz PSXLPXOMCFUFFN-RHSMWYFYSA-N 1 1 353.304 3.010 20 30 FGEDMO C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001052736158 766918983 /nfs/dbraw/zinc/91/89/83/766918983.db2.gz QRIMJTIVYCJRBU-RRFJBIMHSA-N 1 1 367.287 3.262 20 30 FGEDMO C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001052736158 766918984 /nfs/dbraw/zinc/91/89/84/766918984.db2.gz QRIMJTIVYCJRBU-RRFJBIMHSA-N 1 1 367.287 3.262 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001052775881 766924154 /nfs/dbraw/zinc/92/41/54/766924154.db2.gz YTTVBDMKBHGJJA-PMPSAXMXSA-N 1 1 362.436 3.281 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000579671765 505599063 /nfs/dbraw/zinc/59/90/63/505599063.db2.gz UWZGGIBQTSBQDB-MRXNPFEDSA-N 1 1 367.497 3.474 20 30 FGEDMO C=C(C)CN(CC)C(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000576863560 505611515 /nfs/dbraw/zinc/61/15/15/505611515.db2.gz KNASSQKBMCATMM-SFHVURJKSA-N 1 1 363.571 3.235 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000571082762 505649624 /nfs/dbraw/zinc/64/96/24/505649624.db2.gz WEUDWFBUWYVJRQ-SJORKVTESA-N 1 1 350.466 3.439 20 30 FGEDMO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000571084127 505650049 /nfs/dbraw/zinc/65/00/49/505650049.db2.gz NAPCLZSHYCJFEQ-SIKLNZKXSA-N 1 1 371.525 3.423 20 30 FGEDMO N#Cc1ccc(OC2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)cc1 ZINC000573987592 505667124 /nfs/dbraw/zinc/66/71/24/505667124.db2.gz UXPNBUPMXBCCLD-UHFFFAOYSA-N 1 1 367.493 3.335 20 30 FGEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000568340925 505669737 /nfs/dbraw/zinc/66/97/37/505669737.db2.gz UCUDASRXZVRMKI-WMZOPIPTSA-N 1 1 354.502 3.083 20 30 FGEDMO C=CCc1ccc(OCC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000057544983 493772339 /nfs/dbraw/zinc/77/23/39/493772339.db2.gz NQRXGHNCUNJRNG-HDICACEKSA-N 1 1 374.525 3.287 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593114426 506401778 /nfs/dbraw/zinc/40/17/78/506401778.db2.gz BAMNRDDKRRMTLL-SUMWQHHRSA-N 1 1 351.372 3.192 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593114426 506401783 /nfs/dbraw/zinc/40/17/83/506401783.db2.gz BAMNRDDKRRMTLL-SUMWQHHRSA-N 1 1 351.372 3.192 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000081013545 493813386 /nfs/dbraw/zinc/81/33/86/493813386.db2.gz IWOOPMPUJDOJJC-FQEVSTJZSA-N 1 1 362.477 3.488 20 30 FGEDMO C#Cc1cccc(NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000068555891 493840939 /nfs/dbraw/zinc/84/09/39/493840939.db2.gz NJNHBLAAPIYCGA-CALCHBBNSA-N 1 1 355.482 3.021 20 30 FGEDMO N#Cc1ccccc1OCC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000059931355 493911285 /nfs/dbraw/zinc/91/12/85/493911285.db2.gz WWXOICTWFDCRGH-UHFFFAOYSA-N 1 1 355.869 3.408 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000081529823 493911467 /nfs/dbraw/zinc/91/14/67/493911467.db2.gz DQTYGOWPBBJSHX-HXUWFJFHSA-N 1 1 351.425 3.368 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000081529823 493911471 /nfs/dbraw/zinc/91/14/71/493911471.db2.gz DQTYGOWPBBJSHX-HXUWFJFHSA-N 1 1 351.425 3.368 20 30 FGEDMO COc1ccc(COC[C@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000069071013 493914506 /nfs/dbraw/zinc/91/45/06/493914506.db2.gz BXYFWGASSLVWKF-OAQYLSRUSA-N 1 1 368.477 3.355 20 30 FGEDMO CCN(C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1)CC(F)(F)F ZINC000081558109 493915438 /nfs/dbraw/zinc/91/54/38/493915438.db2.gz XWQPZZZGZGOXIH-INIZCTEOSA-N 1 1 355.404 3.143 20 30 FGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000060466942 493937194 /nfs/dbraw/zinc/93/71/94/493937194.db2.gz RWQOHYIJOOQXNH-SFHVURJKSA-N 1 1 365.481 3.135 20 30 FGEDMO C=CCN(CC=C)C(=O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483574 493937968 /nfs/dbraw/zinc/93/79/68/493937968.db2.gz GVHVFVCKGMBMOS-UHFFFAOYSA-N 1 1 360.885 3.435 20 30 FGEDMO CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477402 493938214 /nfs/dbraw/zinc/93/82/14/493938214.db2.gz UDPAQJQKRSAISQ-DNVCBOLYSA-N 1 1 369.421 3.289 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(C#N)CC2)C1 ZINC000060989488 493961796 /nfs/dbraw/zinc/96/17/96/493961796.db2.gz SXMMHXASQPMORF-QGZVFWFLSA-N 1 1 354.498 3.364 20 30 FGEDMO N#Cc1cccc(OCC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000051377754 493965911 /nfs/dbraw/zinc/96/59/11/493965911.db2.gz MDQAGMIVNSPDLW-UHFFFAOYSA-N 1 1 353.441 3.284 20 30 FGEDMO N#Cc1cccc(OCCN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000051377754 493965915 /nfs/dbraw/zinc/96/59/15/493965915.db2.gz MDQAGMIVNSPDLW-UHFFFAOYSA-N 1 1 353.441 3.284 20 30 FGEDMO N#Cc1cccc(OCCN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000051377754 493965916 /nfs/dbraw/zinc/96/59/16/493965916.db2.gz MDQAGMIVNSPDLW-UHFFFAOYSA-N 1 1 353.441 3.284 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000051407773 493967267 /nfs/dbraw/zinc/96/72/67/493967267.db2.gz WEBOGRVCPOFWCB-LJQANCHMSA-N 1 1 372.415 3.435 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000051407773 493967269 /nfs/dbraw/zinc/96/72/69/493967269.db2.gz WEBOGRVCPOFWCB-LJQANCHMSA-N 1 1 372.415 3.435 20 30 FGEDMO C=CCOc1ccccc1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000032429645 493989060 /nfs/dbraw/zinc/98/90/60/493989060.db2.gz ZYKIVJUUJHPLFJ-HNNXBMFYSA-N 1 1 356.491 3.490 20 30 FGEDMO C=CCOc1ccccc1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000032429645 493989063 /nfs/dbraw/zinc/98/90/63/493989063.db2.gz ZYKIVJUUJHPLFJ-HNNXBMFYSA-N 1 1 356.491 3.490 20 30 FGEDMO CC(C)N(C(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1)C(C)C ZINC000076969647 494000556 /nfs/dbraw/zinc/00/05/56/494000556.db2.gz VCUTWKSUQACGQO-GOSISDBHSA-N 1 1 356.514 3.104 20 30 FGEDMO COC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c1C#N ZINC000577250053 505694233 /nfs/dbraw/zinc/69/42/33/505694233.db2.gz LRQORDSKNIMGMK-IBGZPJMESA-N 1 1 352.434 3.194 20 30 FGEDMO C[C@H](OCCCNC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000052580259 494041449 /nfs/dbraw/zinc/04/14/49/494041449.db2.gz AYNHRMVRASQDHS-SFHVURJKSA-N 1 1 365.477 3.274 20 30 FGEDMO C[C@H](OCCCNC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000052580259 494041452 /nfs/dbraw/zinc/04/14/52/494041452.db2.gz AYNHRMVRASQDHS-SFHVURJKSA-N 1 1 365.477 3.274 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cc(C#N)cs3)c2)C[C@H](C)O1 ZINC000084112704 494048707 /nfs/dbraw/zinc/04/87/07/494048707.db2.gz JLRKADUSZUOXKK-OKILXGFUSA-N 1 1 355.463 3.481 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cc(C#N)cs3)c2)C[C@H](C)O1 ZINC000084112704 494048711 /nfs/dbraw/zinc/04/87/11/494048711.db2.gz JLRKADUSZUOXKK-OKILXGFUSA-N 1 1 355.463 3.481 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000063403386 494051651 /nfs/dbraw/zinc/05/16/51/494051651.db2.gz MEZGUPPDVCUZOZ-SJORKVTESA-N 1 1 374.485 3.413 20 30 FGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383296 494072438 /nfs/dbraw/zinc/07/24/38/494072438.db2.gz PFGYDBGNENYBMV-UHFFFAOYSA-N 1 1 351.450 3.161 20 30 FGEDMO C=CCOc1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1OC ZINC000053267009 494111485 /nfs/dbraw/zinc/11/14/85/494111485.db2.gz PMGKKVWTDTYCBG-UHFFFAOYSA-N 1 1 372.490 3.110 20 30 FGEDMO C=CCOc1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1OC ZINC000053267009 494111487 /nfs/dbraw/zinc/11/14/87/494111487.db2.gz PMGKKVWTDTYCBG-UHFFFAOYSA-N 1 1 372.490 3.110 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000010035188 494141550 /nfs/dbraw/zinc/14/15/50/494141550.db2.gz PIOGSNINRCLKEU-UHFFFAOYSA-N 1 1 351.450 3.464 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000010035188 494141553 /nfs/dbraw/zinc/14/15/53/494141553.db2.gz PIOGSNINRCLKEU-UHFFFAOYSA-N 1 1 351.450 3.464 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(F)cc3F)CC2)cc1 ZINC000087026777 494163403 /nfs/dbraw/zinc/16/34/03/494163403.db2.gz OXOUZRHLKQOPFE-UHFFFAOYSA-N 1 1 369.415 3.113 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000053955509 494177374 /nfs/dbraw/zinc/17/73/74/494177374.db2.gz XPJPQKDDIFZCLH-UHFFFAOYSA-N 1 1 354.498 3.498 20 30 FGEDMO N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065202187 494179272 /nfs/dbraw/zinc/17/92/72/494179272.db2.gz MGGFUCBEGKFEFN-INIZCTEOSA-N 1 1 351.410 3.186 20 30 FGEDMO C=CCOc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000078095402 494230267 /nfs/dbraw/zinc/23/02/67/494230267.db2.gz PDEWRGNMMKZDIB-HXUWFJFHSA-N 1 1 352.434 3.091 20 30 FGEDMO C=CCOc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000078095402 494230272 /nfs/dbraw/zinc/23/02/72/494230272.db2.gz PDEWRGNMMKZDIB-HXUWFJFHSA-N 1 1 352.434 3.091 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C(C)C)C2CCOCC2)c1C ZINC000072685564 494233407 /nfs/dbraw/zinc/23/34/07/494233407.db2.gz CLDHIQRBVXZPTO-UHFFFAOYSA-N 1 1 357.498 3.440 20 30 FGEDMO N#Cc1ccc(NC(=O)CCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000072718211 494239205 /nfs/dbraw/zinc/23/92/05/494239205.db2.gz SDNVFOIGEHTCHF-INIZCTEOSA-N 1 1 374.916 3.348 20 30 FGEDMO CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741480 494240497 /nfs/dbraw/zinc/24/04/97/494240497.db2.gz OLYIURHOGOAGBU-MRXNPFEDSA-N 1 1 353.441 3.439 20 30 FGEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000054538342 494244933 /nfs/dbraw/zinc/24/49/33/494244933.db2.gz CMXWLQKOIZBFKR-ALOPSCKCSA-N 1 1 356.470 3.340 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000043155570 494271352 /nfs/dbraw/zinc/27/13/52/494271352.db2.gz RZHIUCCFCHNIPR-UHFFFAOYSA-N 1 1 352.413 3.437 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)[C@H]3CCCOC3)sc2C1 ZINC000574168289 505710223 /nfs/dbraw/zinc/71/02/23/505710223.db2.gz UTFQLDYTHPMIMW-KBPBESRZSA-N 1 1 361.511 3.184 20 30 FGEDMO CCC[N@H+]1CC[C@@H](CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000054806006 494273292 /nfs/dbraw/zinc/27/32/92/494273292.db2.gz WHFLVNURYIAFPO-INIZCTEOSA-N 1 1 367.415 3.088 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2sccc2C#N)C1 ZINC000072965858 494292767 /nfs/dbraw/zinc/29/27/67/494292767.db2.gz AEQFZEFSUHCQSS-JKSUJKDBSA-N 1 1 360.527 3.145 20 30 FGEDMO COc1ccc2ccccc2c1C[N@@H+](CC(=O)NCC#N)C1CCCC1 ZINC000066498331 494346059 /nfs/dbraw/zinc/34/60/59/494346059.db2.gz PFNTUUGPOCMIGM-UHFFFAOYSA-N 1 1 351.450 3.233 20 30 FGEDMO N#Cc1cccc(OCC[N@@H+](Cc2cccc(O)c2)[C@H]2CC[C@H](O)CC2)c1 ZINC000568527995 505715953 /nfs/dbraw/zinc/71/59/53/505715953.db2.gz HHCKXPJIQRMHGK-MXVIHJGJSA-N 1 1 366.461 3.448 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988701 494373850 /nfs/dbraw/zinc/37/38/50/494373850.db2.gz JRCYSVSBZLYKDP-VQIMIIECSA-N 1 1 367.449 3.262 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2C2CC2)sc2c1CCCCC2 ZINC000090008393 494427484 /nfs/dbraw/zinc/42/74/84/494427484.db2.gz HDLCTTWCLRXRBG-KRWDZBQOSA-N 1 1 373.522 3.328 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2C2CC2)sc2c1CCCCC2 ZINC000090008393 494427489 /nfs/dbraw/zinc/42/74/89/494427489.db2.gz HDLCTTWCLRXRBG-KRWDZBQOSA-N 1 1 373.522 3.328 20 30 FGEDMO Cc1cc(F)cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000079381704 494442731 /nfs/dbraw/zinc/44/27/31/494442731.db2.gz PUODUEKCTYHORK-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO Cc1cc(F)cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000079381704 494442735 /nfs/dbraw/zinc/44/27/35/494442735.db2.gz PUODUEKCTYHORK-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO N#CCSc1cccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000079388252 494444824 /nfs/dbraw/zinc/44/48/24/494444824.db2.gz DCGVKWMXDQGFGU-UHFFFAOYSA-N 1 1 365.502 3.303 20 30 FGEDMO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529828 494536036 /nfs/dbraw/zinc/53/60/36/494536036.db2.gz KPAFKAPZERKCSO-HZPDHXFCSA-N 1 1 351.450 3.265 20 30 FGEDMO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529828 494536039 /nfs/dbraw/zinc/53/60/39/494536039.db2.gz KPAFKAPZERKCSO-HZPDHXFCSA-N 1 1 351.450 3.265 20 30 FGEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000046530385 494536088 /nfs/dbraw/zinc/53/60/88/494536088.db2.gz NQHYNHHFGAMFGX-INIZCTEOSA-N 1 1 364.449 3.344 20 30 FGEDMO Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000046530385 494536092 /nfs/dbraw/zinc/53/60/92/494536092.db2.gz NQHYNHHFGAMFGX-INIZCTEOSA-N 1 1 364.449 3.344 20 30 FGEDMO C=CCOc1cccc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000056741998 494554608 /nfs/dbraw/zinc/55/46/08/494554608.db2.gz DYCUHBMYKBABFU-UHFFFAOYSA-N 1 1 363.421 3.462 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1ccccc1COC)Cc1ccc(C#N)cc1 ZINC000079991242 494564724 /nfs/dbraw/zinc/56/47/24/494564724.db2.gz SICNCRLBOWKSPN-UHFFFAOYSA-N 1 1 365.477 3.233 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000080063948 494582518 /nfs/dbraw/zinc/58/25/18/494582518.db2.gz GYMXVSMZEDWDGP-KNQAVFIVSA-N 1 1 361.489 3.390 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCCOC1 ZINC000107693314 494585744 /nfs/dbraw/zinc/58/57/44/494585744.db2.gz BRHDXGWCSSLADM-AWEZNQCLSA-N 1 1 361.511 3.186 20 30 FGEDMO Cc1nnc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(C#N)c1C ZINC000024055593 494600890 /nfs/dbraw/zinc/60/08/90/494600890.db2.gz ZXFLZDOWWWCTLE-UHFFFAOYSA-N 1 1 355.873 3.331 20 30 FGEDMO Cc1nnc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(C#N)c1C ZINC000024055593 494600895 /nfs/dbraw/zinc/60/08/95/494600895.db2.gz ZXFLZDOWWWCTLE-UHFFFAOYSA-N 1 1 355.873 3.331 20 30 FGEDMO C=CC[N@@H+](C[C@H](C)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361610 494605384 /nfs/dbraw/zinc/60/53/84/494605384.db2.gz WPCLFUCDSTVZJV-XJKSGUPXSA-N 1 1 372.328 3.228 20 30 FGEDMO C=CC[N@H+](C[C@H](C)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361610 494605390 /nfs/dbraw/zinc/60/53/90/494605390.db2.gz WPCLFUCDSTVZJV-XJKSGUPXSA-N 1 1 372.328 3.228 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000115740353 494606401 /nfs/dbraw/zinc/60/64/01/494606401.db2.gz ULMIVBDWWZICDD-FPOVZHCZSA-N 1 1 368.502 3.282 20 30 FGEDMO Cc1cc(C)cc(C2=CC[N@H+](CC(=O)N(CCC#N)CCC#N)CC2)c1 ZINC000092428700 494624703 /nfs/dbraw/zinc/62/47/03/494624703.db2.gz LUHJSBRGLYPPTG-UHFFFAOYSA-N 1 1 350.466 3.049 20 30 FGEDMO Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2)c1 ZINC000092428700 494624712 /nfs/dbraw/zinc/62/47/12/494624712.db2.gz LUHJSBRGLYPPTG-UHFFFAOYSA-N 1 1 350.466 3.049 20 30 FGEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000091630698 494632147 /nfs/dbraw/zinc/63/21/47/494632147.db2.gz UDEFHKRWUWFXOA-KRWDZBQOSA-N 1 1 351.454 3.133 20 30 FGEDMO CC(C)n1cccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000126158026 494656062 /nfs/dbraw/zinc/65/60/62/494656062.db2.gz HLWOOQXAUKDFMM-UHFFFAOYSA-N 1 1 350.466 3.289 20 30 FGEDMO CC(C)n1cccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000126158026 494656075 /nfs/dbraw/zinc/65/60/75/494656075.db2.gz HLWOOQXAUKDFMM-UHFFFAOYSA-N 1 1 350.466 3.289 20 30 FGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000047262159 494667864 /nfs/dbraw/zinc/66/78/64/494667864.db2.gz VITWYTSIAPUDRP-MRXNPFEDSA-N 1 1 354.841 3.457 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)CNc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000131630774 494680899 /nfs/dbraw/zinc/68/08/99/494680899.db2.gz PDJMBHWRCJZFAR-OXQOHEQNSA-N 1 1 368.506 3.231 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000092587941 494680886 /nfs/dbraw/zinc/68/08/86/494680886.db2.gz WCGANNXXQDMZPO-IEBWSBKVSA-N 1 1 351.498 3.292 20 30 FGEDMO CC(C)C[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000131658076 494689042 /nfs/dbraw/zinc/68/90/42/494689042.db2.gz AIIBSTDGSFKCGP-PMACEKPBSA-N 1 1 372.513 3.078 20 30 FGEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000092706414 494718884 /nfs/dbraw/zinc/71/88/84/494718884.db2.gz OMVLCTMXOGCPKP-LJQANCHMSA-N 1 1 356.514 3.021 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)CCC)C2)cc1OC ZINC000092707767 494721774 /nfs/dbraw/zinc/72/17/74/494721774.db2.gz HNKMPBQZNFFNOC-GOSISDBHSA-N 1 1 360.498 3.388 20 30 FGEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000131872754 494759320 /nfs/dbraw/zinc/75/93/20/494759320.db2.gz FJCTWTXRWGTKMT-IBGZPJMESA-N 1 1 372.513 3.031 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1OC ZINC000092075852 494780655 /nfs/dbraw/zinc/78/06/55/494780655.db2.gz KLPZJQWHMMUEQJ-IBGZPJMESA-N 1 1 366.461 3.323 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1OC ZINC000092075852 494780660 /nfs/dbraw/zinc/78/06/60/494780660.db2.gz KLPZJQWHMMUEQJ-IBGZPJMESA-N 1 1 366.461 3.323 20 30 FGEDMO COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[NH+](C)C ZINC000047914691 494793816 /nfs/dbraw/zinc/79/38/16/494793816.db2.gz SXZZGSWXIXLTQG-DNVCBOLYSA-N 1 1 366.465 3.230 20 30 FGEDMO N#CCCCOc1cccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000093011434 494807059 /nfs/dbraw/zinc/80/70/59/494807059.db2.gz UVCFEXMADCHJHI-HXUWFJFHSA-N 1 1 357.498 3.056 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1OC ZINC000126951181 494867797 /nfs/dbraw/zinc/86/77/97/494867797.db2.gz YVOYTEFMVZXZBN-UHFFFAOYSA-N 1 1 351.450 3.288 20 30 FGEDMO Cc1ccc([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)[NH+]2CCCC2)o1 ZINC000132420946 494871387 /nfs/dbraw/zinc/87/13/87/494871387.db2.gz FVHNYDQOPADMKY-MRXNPFEDSA-N 1 1 359.376 3.305 20 30 FGEDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000093361235 494877825 /nfs/dbraw/zinc/87/78/25/494877825.db2.gz SSGJYTCLROBKAM-IBGZPJMESA-N 1 1 363.461 3.095 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)cc1OC ZINC000093716945 494915291 /nfs/dbraw/zinc/91/52/91/494915291.db2.gz MCKRNHVSHOFLLM-UHFFFAOYSA-N 1 1 374.510 3.132 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCCN(c3nc(C)ns3)CC2)cc1OC ZINC000093716945 494915295 /nfs/dbraw/zinc/91/52/95/494915295.db2.gz MCKRNHVSHOFLLM-UHFFFAOYSA-N 1 1 374.510 3.132 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)COc2ccccc2C#N)c1 ZINC000110019293 494940005 /nfs/dbraw/zinc/94/00/05/494940005.db2.gz RTTMEZGVAQBYNU-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO C[N@H+](CC(=O)N[C@H](C#N)c1cccc(Br)c1)Cc1ccccc1 ZINC000127635833 494974397 /nfs/dbraw/zinc/97/43/97/494974397.db2.gz JQIBBLPVPCYDHK-QGZVFWFLSA-N 1 1 372.266 3.262 20 30 FGEDMO C[N@@H+](CC(=O)N[C@H](C#N)c1cccc(Br)c1)Cc1ccccc1 ZINC000127635833 494974400 /nfs/dbraw/zinc/97/44/00/494974400.db2.gz JQIBBLPVPCYDHK-QGZVFWFLSA-N 1 1 372.266 3.262 20 30 FGEDMO C=C(C)COCCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000568691764 505753640 /nfs/dbraw/zinc/75/36/40/505753640.db2.gz PQZCJZTUBYHSRN-FQEVSTJZSA-N 1 1 359.514 3.181 20 30 FGEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000122726032 495021010 /nfs/dbraw/zinc/02/10/10/495021010.db2.gz OCNJLVXNNDYEBK-NRFANRHFSA-N 1 1 363.461 3.190 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561537 495076977 /nfs/dbraw/zinc/07/69/77/495076977.db2.gz GRFMRWBNMHCQNV-MRXNPFEDSA-N 1 1 372.488 3.433 20 30 FGEDMO C[C@H]1C[C@@H](N(C)C(=O)c2occc2COc2cccc(C#N)c2)CC[N@H+]1C ZINC000123248746 495102631 /nfs/dbraw/zinc/10/26/31/495102631.db2.gz RQCOTPVDFYSJHW-YJBOKZPZSA-N 1 1 367.449 3.285 20 30 FGEDMO C[C@@H]1C[C@@H](N(C)C(=O)c2occc2COc2cccc(C#N)c2)CC[N@H+]1C ZINC000123248551 495102846 /nfs/dbraw/zinc/10/28/46/495102846.db2.gz RQCOTPVDFYSJHW-QAPCUYQASA-N 1 1 367.449 3.285 20 30 FGEDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 ZINC000111769807 495109693 /nfs/dbraw/zinc/10/96/93/495109693.db2.gz AAVKZNZYRFVARY-LJQANCHMSA-N 1 1 362.477 3.335 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000123302849 495111350 /nfs/dbraw/zinc/11/13/50/495111350.db2.gz JYTOCBXPSUHKNR-LBPRGKRZSA-N 1 1 357.376 3.100 20 30 FGEDMO COc1ccc(C[N@@H+](CC(C)(C)CCC#N)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000119197562 495115490 /nfs/dbraw/zinc/11/54/90/495115490.db2.gz ICZHFCJJKYZIMM-KRWDZBQOSA-N 1 1 364.511 3.014 20 30 FGEDMO C=CCCn1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nn1 ZINC000574392991 505762997 /nfs/dbraw/zinc/76/29/97/505762997.db2.gz KPAKHORLOKLXII-GOSISDBHSA-N 1 1 373.888 3.075 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000571568398 505763398 /nfs/dbraw/zinc/76/33/98/505763398.db2.gz PAQGFAWGBBJSOJ-HXUWFJFHSA-N 1 1 369.396 3.033 20 30 FGEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000119441259 495168078 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C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000135181443 495259451 /nfs/dbraw/zinc/25/94/51/495259451.db2.gz WDNPACPKNDFFFV-AWEZNQCLSA-N 1 1 362.882 3.032 20 30 FGEDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000135181443 495259454 /nfs/dbraw/zinc/25/94/54/495259454.db2.gz WDNPACPKNDFFFV-AWEZNQCLSA-N 1 1 362.882 3.032 20 30 FGEDMO Cc1noc([C@H](C)N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135198278 495262098 /nfs/dbraw/zinc/26/20/98/495262098.db2.gz GAVWVPGZDKNWTI-HNNXBMFYSA-N 1 1 353.470 3.058 20 30 FGEDMO C[C@H]1CCC[N@H+](CCNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113322219 495297035 /nfs/dbraw/zinc/29/70/35/495297035.db2.gz WOMWVUGNHFHKAF-SFHVURJKSA-N 1 1 351.498 3.285 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113322219 495297039 /nfs/dbraw/zinc/29/70/39/495297039.db2.gz WOMWVUGNHFHKAF-SFHVURJKSA-N 1 1 351.498 3.285 20 30 FGEDMO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000113951624 495339812 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CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114791573 495425684 /nfs/dbraw/zinc/42/56/84/495425684.db2.gz CMMCNEWPEFVDPX-OAQYLSRUSA-N 1 1 362.477 3.364 20 30 FGEDMO CC(C)(C#N)CC[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000130970365 495473463 /nfs/dbraw/zinc/47/34/63/495473463.db2.gz HAZZSLYRFXLIIT-UHFFFAOYSA-N 1 1 373.888 3.447 20 30 FGEDMO CC[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125749770 495493101 /nfs/dbraw/zinc/49/31/01/495493101.db2.gz WWQKDPKNGJETKK-OXJNMPFZSA-N 1 1 363.461 3.061 20 30 FGEDMO CN(C(=O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1)C1(C#N)CCCCC1 ZINC000115558569 495516501 /nfs/dbraw/zinc/51/65/01/495516501.db2.gz LJORRZLTJAUFSD-UHFFFAOYSA-N 1 1 373.472 3.354 20 30 FGEDMO CC#CCCCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000185443677 495579273 /nfs/dbraw/zinc/57/92/73/495579273.db2.gz ZSHDAWAICNZXQX-UHFFFAOYSA-N 1 1 353.466 3.106 20 30 FGEDMO C=C(C)C[C@H](C)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000185453189 495583298 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FGEDMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1C(C)(C)C#N ZINC000159075746 495652447 /nfs/dbraw/zinc/65/24/47/495652447.db2.gz YYLFCTSKHFAEFQ-UHFFFAOYSA-N 1 1 361.445 3.216 20 30 FGEDMO C=CCCCCC[N@@H+](C)Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000150877356 495665464 /nfs/dbraw/zinc/66/54/64/495665464.db2.gz ILGFVOQNOOCKTL-UHFFFAOYSA-N 1 1 353.470 3.068 20 30 FGEDMO C=CCCCCC[N@H+](C)Cc1nnc2n1c1ccc(C)cc1c(=O)n2C ZINC000150877356 495665469 /nfs/dbraw/zinc/66/54/69/495665469.db2.gz ILGFVOQNOOCKTL-UHFFFAOYSA-N 1 1 353.470 3.068 20 30 FGEDMO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000154614692 495673081 /nfs/dbraw/zinc/67/30/81/495673081.db2.gz IUWNJDLZLYDZGE-KRWDZBQOSA-N 1 1 357.498 3.282 20 30 FGEDMO C#CCC(C)(C)C(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000185681183 495677166 /nfs/dbraw/zinc/67/71/66/495677166.db2.gz HRURWYUAFGOQGI-UHFFFAOYSA-N 1 1 371.525 3.179 20 30 FGEDMO C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185727903 495699742 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FGEDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000159645221 495777084 /nfs/dbraw/zinc/77/70/84/495777084.db2.gz JRJSWQCQTVHTEA-JXFKEZNVSA-N 1 1 363.461 3.223 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000159652745 495778598 /nfs/dbraw/zinc/77/85/98/495778598.db2.gz RXDQQNUSHHCBOK-JOCHJYFZSA-N 1 1 361.445 3.061 20 30 FGEDMO CC[C@H](NC(=O)C1(C#N)CCCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151396634 495827347 /nfs/dbraw/zinc/82/73/47/495827347.db2.gz VJQSQOBUAXNORE-VQTJNVASSA-N 1 1 369.509 3.256 20 30 FGEDMO CC[C@H](NC(=O)C1(C#N)CCCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151396634 495827352 /nfs/dbraw/zinc/82/73/52/495827352.db2.gz VJQSQOBUAXNORE-VQTJNVASSA-N 1 1 369.509 3.256 20 30 FGEDMO CC[C@H](NC(=O)c1sccc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151427372 495836744 /nfs/dbraw/zinc/83/67/44/495836744.db2.gz HABHMOQQKZXLFL-ROUUACIJSA-N 1 1 369.490 3.029 20 30 FGEDMO CC[C@H](NC(=O)c1sccc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151427372 495836748 /nfs/dbraw/zinc/83/67/48/495836748.db2.gz HABHMOQQKZXLFL-ROUUACIJSA-N 1 1 369.490 3.029 20 30 FGEDMO Clc1ccc(C#CCN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000176986966 495870914 /nfs/dbraw/zinc/87/09/14/495870914.db2.gz DHQFKKBWLZOOES-UHFFFAOYSA-N 1 1 354.881 3.388 20 30 FGEDMO Cn1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000183246829 495896886 /nfs/dbraw/zinc/89/68/86/495896886.db2.gz PJBIDQCAPAUVJZ-JOCHJYFZSA-N 1 1 371.488 3.447 20 30 FGEDMO Cn1cc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000183246829 495896896 /nfs/dbraw/zinc/89/68/96/495896896.db2.gz PJBIDQCAPAUVJZ-JOCHJYFZSA-N 1 1 371.488 3.447 20 30 FGEDMO Cn1cc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000183246829 495896899 /nfs/dbraw/zinc/89/68/99/495896899.db2.gz PJBIDQCAPAUVJZ-JOCHJYFZSA-N 1 1 371.488 3.447 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@](C)(O)C2)cc1OCC ZINC000180187958 495897358 /nfs/dbraw/zinc/89/73/58/495897358.db2.gz DOGRIZCWXQXLPN-QGZVFWFLSA-N 1 1 370.287 3.369 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@](C)(O)C2)cc1OCC ZINC000180187958 495897364 /nfs/dbraw/zinc/89/73/64/495897364.db2.gz DOGRIZCWXQXLPN-QGZVFWFLSA-N 1 1 370.287 3.369 20 30 FGEDMO Cc1cccc2nc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cn21 ZINC000180190396 495898710 /nfs/dbraw/zinc/89/87/10/495898710.db2.gz IDUWVXAUVLFOJN-UHFFFAOYSA-N 1 1 356.433 3.205 20 30 FGEDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194822 495900037 /nfs/dbraw/zinc/90/00/37/495900037.db2.gz JCKLUZZFLPFKDQ-OXQOHEQNSA-N 1 1 351.498 3.121 20 30 FGEDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194822 495900045 /nfs/dbraw/zinc/90/00/45/495900045.db2.gz JCKLUZZFLPFKDQ-OXQOHEQNSA-N 1 1 351.498 3.121 20 30 FGEDMO CCN1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194822 495900049 /nfs/dbraw/zinc/90/00/49/495900049.db2.gz JCKLUZZFLPFKDQ-OXQOHEQNSA-N 1 1 351.498 3.121 20 30 FGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194822 495900052 /nfs/dbraw/zinc/90/00/52/495900052.db2.gz JCKLUZZFLPFKDQ-OXQOHEQNSA-N 1 1 351.498 3.121 20 30 FGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194822 495900058 /nfs/dbraw/zinc/90/00/58/495900058.db2.gz JCKLUZZFLPFKDQ-OXQOHEQNSA-N 1 1 351.498 3.121 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194822 495900061 /nfs/dbraw/zinc/90/00/61/495900061.db2.gz JCKLUZZFLPFKDQ-OXQOHEQNSA-N 1 1 351.498 3.121 20 30 FGEDMO COCCOc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000155284794 495903663 /nfs/dbraw/zinc/90/36/63/495903663.db2.gz TZYPAOJGYZLEDH-QFIPXVFZSA-N 1 1 365.477 3.094 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000177138647 495943209 /nfs/dbraw/zinc/94/32/09/495943209.db2.gz HKXDFCOWOJAXFG-GOSISDBHSA-N 1 1 369.490 3.282 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+](CCc3ccccc3)[C@@H]3CCOC3)o2)cc1 ZINC000177139833 495944418 /nfs/dbraw/zinc/94/44/18/495944418.db2.gz ORIORLYIBPVYHN-HXUWFJFHSA-N 1 1 374.444 3.442 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+](CCc3ccccc3)[C@@H]3CCOC3)o2)cc1 ZINC000177139833 495944424 /nfs/dbraw/zinc/94/44/24/495944424.db2.gz ORIORLYIBPVYHN-HXUWFJFHSA-N 1 1 374.444 3.442 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c2ccccc21 ZINC000155400848 495945914 /nfs/dbraw/zinc/94/59/14/495945914.db2.gz XNTUONDZXPUUPC-IIBYNOLFSA-N 1 1 351.450 3.239 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c2ccccc21 ZINC000155400848 495945921 /nfs/dbraw/zinc/94/59/21/495945921.db2.gz XNTUONDZXPUUPC-IIBYNOLFSA-N 1 1 351.450 3.239 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c2ccccc21 ZINC000155400962 495946030 /nfs/dbraw/zinc/94/60/30/495946030.db2.gz XNTUONDZXPUUPC-IERDGZPVSA-N 1 1 351.450 3.239 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c2ccccc21 ZINC000155400962 495946033 /nfs/dbraw/zinc/94/60/33/495946033.db2.gz XNTUONDZXPUUPC-IERDGZPVSA-N 1 1 351.450 3.239 20 30 FGEDMO CCN(C(=O)c1ccccc1OCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186327197 495950136 /nfs/dbraw/zinc/95/01/36/495950136.db2.gz JSXPLCDGXJGSIO-IBGZPJMESA-N 1 1 363.461 3.326 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180334786 495955665 /nfs/dbraw/zinc/95/56/65/495955665.db2.gz ZSIQLHSVAKVDIW-IBGZPJMESA-N 1 1 365.525 3.416 20 30 FGEDMO CC(C)C[N@@H+]1CCC[C@@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180334786 495955673 /nfs/dbraw/zinc/95/56/73/495955673.db2.gz ZSIQLHSVAKVDIW-IBGZPJMESA-N 1 1 365.525 3.416 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180334786 495955680 /nfs/dbraw/zinc/95/56/80/495955680.db2.gz ZSIQLHSVAKVDIW-IBGZPJMESA-N 1 1 365.525 3.416 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155507022 495977597 /nfs/dbraw/zinc/97/75/97/495977597.db2.gz RPYNCUQQOFCBMG-JFIYKMOQSA-N 1 1 373.522 3.378 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155507022 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361.511 3.378 20 30 FGEDMO CC(C)C(C)(C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000186890424 496196884 /nfs/dbraw/zinc/19/68/84/496196884.db2.gz CBLPDKCOCAULCS-UHFFFAOYSA-N 1 1 356.514 3.458 20 30 FGEDMO Cc1ccc(N2CCC(NC(=O)Nc3ccc(F)cc3C#N)CC2)[nH+]c1 ZINC000177912512 496249707 /nfs/dbraw/zinc/24/97/07/496249707.db2.gz UAQOSFQWDMEPGA-UHFFFAOYSA-N 1 1 353.401 3.191 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC000181132830 496281489 /nfs/dbraw/zinc/28/14/89/496281489.db2.gz FKXCXYIJRVTWDV-HNNXBMFYSA-N 1 1 350.304 3.484 20 30 FGEDMO N#CCOc1ccc(/C=C/C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000172421018 496291052 /nfs/dbraw/zinc/29/10/52/496291052.db2.gz HRSAXCRFWJPJMK-DHZHZOJOSA-N 1 1 353.466 3.079 20 30 FGEDMO N#Cc1cccc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000577994698 505836768 /nfs/dbraw/zinc/83/67/68/505836768.db2.gz RHZXEPWIQLDQKR-VXKWHMMOSA-N 1 1 374.488 3.222 20 30 FGEDMO C=C(C)CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000156876529 496354175 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COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000181811808 496554573 /nfs/dbraw/zinc/55/45/73/496554573.db2.gz UZVRTMBUDWUNSS-CVEARBPZSA-N 1 1 352.438 3.076 20 30 FGEDMO N#CCSc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000153734701 496563131 /nfs/dbraw/zinc/56/31/31/496563131.db2.gz UYDVEBJATZVCDC-VQIMIIECSA-N 1 1 355.507 3.391 20 30 FGEDMO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000181839873 496567751 /nfs/dbraw/zinc/56/77/51/496567751.db2.gz LXJUCTKMRGTUJA-MRXNPFEDSA-N 1 1 371.462 3.231 20 30 FGEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(F)c1 ZINC000187793645 496574869 /nfs/dbraw/zinc/57/48/69/496574869.db2.gz YAAYLKFEMMDMNX-SJLPKXTDSA-N 1 1 360.408 3.101 20 30 FGEDMO C=CCc1cc(C(=O)N(C)CCCn2cc[nH+]c2C)cc(OC)c1OC ZINC000153778480 496576614 /nfs/dbraw/zinc/57/66/14/496576614.db2.gz NBDWSSXIIRBIHC-UHFFFAOYSA-N 1 1 357.454 3.100 20 30 FGEDMO CC(C)Oc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N ZINC000157895397 496579290 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C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+]1C ZINC000176070426 496669811 /nfs/dbraw/zinc/66/98/11/496669811.db2.gz BIFBHTNZMYDCJK-AAEUAGOBSA-N 1 1 352.385 3.106 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000167388877 496701193 /nfs/dbraw/zinc/70/11/93/496701193.db2.gz ZKWPIFKELFQPKT-UHFFFAOYSA-N 1 1 360.458 3.041 20 30 FGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000194857216 496737316 /nfs/dbraw/zinc/73/73/16/496737316.db2.gz ZHZUFELZNANEJZ-HXUWFJFHSA-N 1 1 368.437 3.019 20 30 FGEDMO CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268578132 496740166 /nfs/dbraw/zinc/74/01/66/496740166.db2.gz QBRIFYHANKMNFT-MRXNPFEDSA-N 1 1 355.388 3.183 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194965231 496775923 /nfs/dbraw/zinc/77/59/23/496775923.db2.gz INOLUXZEVLHLRO-UHFFFAOYSA-N 1 1 364.405 3.378 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194965231 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N#CC1(CC[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)CCCCC1 ZINC000411197420 499709937 /nfs/dbraw/zinc/70/99/37/499709937.db2.gz KRHJYLMKPDTJAR-UHFFFAOYSA-N 1 1 357.473 3.377 20 30 FGEDMO CCc1nc(CN2CCC[C@@H]([N@@H+](C)[C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000377716675 499724661 /nfs/dbraw/zinc/72/46/61/499724661.db2.gz GNTDSLZCGTZXAE-MAUKXSAKSA-N 1 1 353.470 3.161 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000411648235 499772901 /nfs/dbraw/zinc/77/29/01/499772901.db2.gz ZYMPGSJGGJRHOB-UHFFFAOYSA-N 1 1 354.376 3.094 20 30 FGEDMO CN(C)C(=O)[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000411964218 499807126 /nfs/dbraw/zinc/80/71/26/499807126.db2.gz YOVHXWYJZWYLLT-IBGZPJMESA-N 1 1 361.489 3.296 20 30 FGEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000412077062 499821043 /nfs/dbraw/zinc/82/10/43/499821043.db2.gz SVSNCRXODUFBKH-KRWDZBQOSA-N 1 1 371.481 3.331 20 30 FGEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000412077062 499821045 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354.479 3.188 20 30 FGEDMO C[C@H]1CCc2nc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)sc2C1 ZINC000430177385 500204658 /nfs/dbraw/zinc/20/46/58/500204658.db2.gz HXOXWDQGTHADIS-DZGCQCFKSA-N 1 1 354.479 3.188 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000426161327 500243000 /nfs/dbraw/zinc/24/30/00/500243000.db2.gz NPIXOKCJWVPVQM-OXJNMPFZSA-N 1 1 366.461 3.349 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000426366333 500264775 /nfs/dbraw/zinc/26/47/75/500264775.db2.gz QHBPRSKWXIIJSV-VQTJNVASSA-N 1 1 357.498 3.028 20 30 FGEDMO COCC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCOC1 ZINC000426499998 500280740 /nfs/dbraw/zinc/28/07/40/500280740.db2.gz SQMNTHNRYKTVAB-OAQYLSRUSA-N 1 1 366.461 3.375 20 30 FGEDMO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422976175 500326277 /nfs/dbraw/zinc/32/62/77/500326277.db2.gz HXJMBYZAGVLLTJ-SCWSEQNSSA-N 1 1 366.484 3.214 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)cc1 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/nfs/dbraw/zinc/14/23/29/501142329.db2.gz PFQKRVQYAQCGQH-ICSRJNTNSA-N 1 1 366.421 3.340 20 30 FGEDMO CC[N@H+]1CCO[C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000450518059 501142332 /nfs/dbraw/zinc/14/23/32/501142332.db2.gz PFQKRVQYAQCGQH-ICSRJNTNSA-N 1 1 366.421 3.340 20 30 FGEDMO CCOc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(F)cn1 ZINC000596063624 506236653 /nfs/dbraw/zinc/23/66/53/506236653.db2.gz XCBGIHRGTVKGSG-UHFFFAOYSA-N 1 1 354.429 3.203 20 30 FGEDMO CCOc1ccccc1OCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000441550791 501153956 /nfs/dbraw/zinc/15/39/56/501153956.db2.gz MNMLBARRLCWEDK-UHFFFAOYSA-N 1 1 369.440 3.297 20 30 FGEDMO N#Cc1cc2cccnc2nc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000596066511 506238417 /nfs/dbraw/zinc/23/84/17/506238417.db2.gz RPTWGCAFNLASOU-UHFFFAOYSA-N 1 1 361.424 3.353 20 30 FGEDMO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000450219508 501212454 /nfs/dbraw/zinc/21/24/54/501212454.db2.gz WLUUHSCURPVIGL-AUSIDOKSSA-N 1 1 363.505 3.231 20 30 FGEDMO C=CCC1(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000450820830 501213750 /nfs/dbraw/zinc/21/37/50/501213750.db2.gz PCAHBOQPRLCEGG-JOCHJYFZSA-N 1 1 356.510 3.218 20 30 FGEDMO C[C@@H]1C[NH+](C(C)(C)CNc2ncc(Br)cc2C#N)C[C@@H](C)O1 ZINC000450229252 501214619 /nfs/dbraw/zinc/21/46/19/501214619.db2.gz CQQJAAHMQOVSRY-VXGBXAGGSA-N 1 1 367.291 3.015 20 30 FGEDMO N#Cc1c(Cl)cccc1NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000450295050 501227964 /nfs/dbraw/zinc/22/79/64/501227964.db2.gz UQLFXOSQQXWADZ-UHFFFAOYSA-N 1 1 355.873 3.231 20 30 FGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)cc1 ZINC000451029041 501240324 /nfs/dbraw/zinc/24/03/24/501240324.db2.gz QEZCHTBJZRJERQ-FQEVSTJZSA-N 1 1 362.477 3.401 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)(C)CO ZINC000451241391 501254266 /nfs/dbraw/zinc/25/42/66/501254266.db2.gz GIZDGOMEXHSCEL-UHFFFAOYSA-N 1 1 363.527 3.168 20 30 FGEDMO C[N@H+]1CCC[C@H](CCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000457586952 501263498 /nfs/dbraw/zinc/26/34/98/501263498.db2.gz HOGYWJDTOAVQJC-MRXNPFEDSA-N 1 1 367.415 3.088 20 30 FGEDMO COc1c(C)c[nH+]c(CN(C)Cc2nnc(-c3cccc(C#N)c3)o2)c1C ZINC000451372994 501277689 /nfs/dbraw/zinc/27/76/89/501277689.db2.gz HAKVVWPGIPIMEB-UHFFFAOYSA-N 1 1 363.421 3.261 20 30 FGEDMO CC[N@@H+](CCC1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1)CC(C)C ZINC000451374511 501278216 /nfs/dbraw/zinc/27/82/16/501278216.db2.gz KEFRRNURMLAANN-UHFFFAOYSA-N 1 1 371.591 3.336 20 30 FGEDMO C=CC[N@@H+](Cc1sc(C)nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000607731346 506244289 /nfs/dbraw/zinc/24/42/89/506244289.db2.gz NYCGDVHAIOBTGT-AWEZNQCLSA-N 1 1 354.483 3.485 20 30 FGEDMO N#Cc1cccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000602646443 506244315 /nfs/dbraw/zinc/24/43/15/506244315.db2.gz YHMOWOJTJRMJRG-HNNXBMFYSA-N 1 1 355.747 3.449 20 30 FGEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000455458428 501307865 /nfs/dbraw/zinc/30/78/65/501307865.db2.gz MOWFBGZOGVBPDD-AWEZNQCLSA-N 1 1 365.275 3.269 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451562331 501325283 /nfs/dbraw/zinc/32/52/83/501325283.db2.gz JHLMOTCTBALNTM-WBVHZDCISA-N 1 1 350.528 3.398 20 30 FGEDMO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000453416113 501326818 /nfs/dbraw/zinc/32/68/18/501326818.db2.gz UQTCCODRNIZCEX-RDJZCZTQSA-N 1 1 373.526 3.088 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000453457719 501337810 /nfs/dbraw/zinc/33/78/10/501337810.db2.gz IMONHAZYMUWLKB-FJIDUMEYSA-N 1 1 361.534 3.403 20 30 FGEDMO C=C(C)Cn1c(N2CC[C@H](C[N@H+](C)CCC)C2)nnc1[C@@]1(C)CCCO1 ZINC000453471385 501341423 /nfs/dbraw/zinc/34/14/23/501341423.db2.gz TXAKIECAVVJQEX-YLJYHZDGSA-N 1 1 361.534 3.048 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451699165 501354441 /nfs/dbraw/zinc/35/44/41/501354441.db2.gz ULRQQOMLDFMSMT-LGWLGOQQSA-N 1 1 361.873 3.022 20 30 FGEDMO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000452145202 501445381 /nfs/dbraw/zinc/44/53/81/501445381.db2.gz FVUUSERAKKKYAL-LJQANCHMSA-N 1 1 356.510 3.244 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC(C)(C)CC#N ZINC000458557472 501474034 /nfs/dbraw/zinc/47/40/34/501474034.db2.gz GXQAOVVLCFQOCN-DZFIZOCASA-N 1 1 356.514 3.382 20 30 FGEDMO COc1cccc([C@H]2[C@H](NC(=O)NCC(C)(C)CC#N)CC[N@H+]2C2CC2)c1 ZINC000458659306 501501216 /nfs/dbraw/zinc/50/12/16/501501216.db2.gz DEHJGHKWICZSAO-MOPGFXCFSA-N 1 1 370.497 3.212 20 30 FGEDMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(C#N)n1)C(C)C ZINC000602690776 506261731 /nfs/dbraw/zinc/26/17/31/506261731.db2.gz OHXNCVJVLNXFBY-GOSISDBHSA-N 1 1 371.506 3.325 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)c1 ZINC000459275015 501623693 /nfs/dbraw/zinc/62/36/93/501623693.db2.gz CUMQMHCYWPSCGY-UHFFFAOYSA-N 1 1 350.422 3.093 20 30 FGEDMO Cc1nsc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000459577551 501679993 /nfs/dbraw/zinc/67/99/93/501679993.db2.gz GWEPEWKXBIZVNK-CJNGLKHVSA-N 1 1 369.494 3.498 20 30 FGEDMO C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000457398757 501693323 /nfs/dbraw/zinc/69/33/23/501693323.db2.gz XHENZVDCGCOEDU-BPQIPLTHSA-N 1 1 350.890 3.430 20 30 FGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000481331910 501746159 /nfs/dbraw/zinc/74/61/59/501746159.db2.gz REJBHGREKNRJDL-LLVKDONJSA-N 1 1 358.223 3.126 20 30 FGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000481331910 501746161 /nfs/dbraw/zinc/74/61/61/501746161.db2.gz REJBHGREKNRJDL-LLVKDONJSA-N 1 1 358.223 3.126 20 30 FGEDMO N#Cc1cccc(OCCC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000477742234 501774278 /nfs/dbraw/zinc/77/42/78/501774278.db2.gz LMJRUQFESVKVKH-UHFFFAOYSA-N 1 1 366.421 3.058 20 30 FGEDMO CCc1ccc(C[NH+]2CCN(c3nc4ncccc4cc3C#N)CC2)s1 ZINC000596133477 506273269 /nfs/dbraw/zinc/27/32/69/506273269.db2.gz CEHDZLJLFYBZNQ-UHFFFAOYSA-N 1 1 363.490 3.448 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(F)cc2C#N)C[N@H+]1Cc1ccccc1 ZINC000467465304 501801003 /nfs/dbraw/zinc/80/10/03/501801003.db2.gz FLZCSULLYMFVSZ-KSSFIOAISA-N 1 1 352.413 3.482 20 30 FGEDMO COCCN(C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000460358011 501802456 /nfs/dbraw/zinc/80/24/56/501802456.db2.gz JWCKFPWCIJKZCT-KRWDZBQOSA-N 1 1 351.450 3.058 20 30 FGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000481673307 501845439 /nfs/dbraw/zinc/84/54/39/501845439.db2.gz CSXPPOGPFHCOOD-XMSQKQJNSA-N 1 1 353.510 3.416 20 30 FGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000481673307 501845443 /nfs/dbraw/zinc/84/54/43/501845443.db2.gz CSXPPOGPFHCOOD-XMSQKQJNSA-N 1 1 353.510 3.416 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CCC(=O)OC(C)(C)C)c1 ZINC000468130617 501967326 /nfs/dbraw/zinc/96/73/26/501967326.db2.gz GEITVUZXOXTVDJ-UHFFFAOYSA-N 1 1 373.497 3.214 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C)c1 ZINC000468130617 501967333 /nfs/dbraw/zinc/96/73/33/501967333.db2.gz GEITVUZXOXTVDJ-UHFFFAOYSA-N 1 1 373.497 3.214 20 30 FGEDMO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCC[N@H+](CC)CC1 ZINC000460956799 501971134 /nfs/dbraw/zinc/97/11/34/501971134.db2.gz CSWNPJSWPINONW-UHFFFAOYSA-N 1 1 353.514 3.285 20 30 FGEDMO Cc1nc(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1C#N ZINC000478514582 502005916 /nfs/dbraw/zinc/00/59/16/502005916.db2.gz SNTZYRUYDIZGFE-MRXNPFEDSA-N 1 1 362.477 3.424 20 30 FGEDMO C=CCOc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471387729 502007585 /nfs/dbraw/zinc/00/75/85/502007585.db2.gz IXRNUJCBCPQCCT-OYRHEFFESA-N 1 1 362.473 3.455 20 30 FGEDMO Cc1nc(SCC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c(C#N)c(C)c1C ZINC000478619305 502036136 /nfs/dbraw/zinc/03/61/36/502036136.db2.gz HQXBSAXRIQQGPN-KBPBESRZSA-N 1 1 374.554 3.350 20 30 FGEDMO CCO[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000471485399 502041976 /nfs/dbraw/zinc/04/19/76/502041976.db2.gz XAIXNKAXFMVNPT-FQEVSTJZSA-N 1 1 357.498 3.044 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2CC(=O)OCC)cc1Cl ZINC000482495051 502086228 /nfs/dbraw/zinc/08/62/28/502086228.db2.gz GURDDUFXJYZFJV-HZPDHXFCSA-N 1 1 367.873 3.447 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2CC(=O)OCC)cc1Cl ZINC000482495051 502086232 /nfs/dbraw/zinc/08/62/32/502086232.db2.gz GURDDUFXJYZFJV-HZPDHXFCSA-N 1 1 367.873 3.447 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840324 502115037 /nfs/dbraw/zinc/11/50/37/502115037.db2.gz SMJGQXXADDDTOJ-TZIWHRDSSA-N 1 1 357.542 3.253 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H]1COc2ccccc2O1 ZINC000482638298 502135209 /nfs/dbraw/zinc/13/52/09/502135209.db2.gz ZYNWRAQDJFBSQJ-HNNXBMFYSA-N 1 1 360.360 3.431 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H]1COc2ccccc2O1 ZINC000482638298 502135213 /nfs/dbraw/zinc/13/52/13/502135213.db2.gz ZYNWRAQDJFBSQJ-HNNXBMFYSA-N 1 1 360.360 3.431 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000475402870 502161080 /nfs/dbraw/zinc/16/10/80/502161080.db2.gz GPELIXIJZQYLHW-MOPGFXCFSA-N 1 1 369.509 3.220 20 30 FGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000475660876 502246041 /nfs/dbraw/zinc/24/60/41/502246041.db2.gz LETGKFXWRNUSED-FQEVSTJZSA-N 1 1 369.509 3.188 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC#Cc1ccccc1 ZINC000465569109 502310418 /nfs/dbraw/zinc/31/04/18/502310418.db2.gz RJODDXINESECHI-QFIPXVFZSA-N 1 1 361.489 3.202 20 30 FGEDMO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H](CO)c1ccccc1 ZINC000479643380 502328719 /nfs/dbraw/zinc/32/87/19/502328719.db2.gz WKXFBRHHVLZPJU-LJQANCHMSA-N 1 1 371.868 3.252 20 30 FGEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@H](CO)c1ccccc1 ZINC000479643380 502328725 /nfs/dbraw/zinc/32/87/25/502328725.db2.gz WKXFBRHHVLZPJU-LJQANCHMSA-N 1 1 371.868 3.252 20 30 FGEDMO COCCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000483265909 502333021 /nfs/dbraw/zinc/33/30/21/502333021.db2.gz HAKYFPIVBYJHKM-NHCUHLMSSA-N 1 1 364.493 3.436 20 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/nfs/dbraw/zinc/40/00/09/504400009.db2.gz FMWLUTDAJLFIEL-IBGZPJMESA-N 1 1 352.434 3.177 20 30 FGEDMO CCC(C#N)(CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000528860429 504420564 /nfs/dbraw/zinc/42/05/64/504420564.db2.gz HKAQUCJMXZULFE-MRXNPFEDSA-N 1 1 363.889 3.456 20 30 FGEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000520211349 504436286 /nfs/dbraw/zinc/43/62/86/504436286.db2.gz DHAMCBBQNULNGM-WIYYLYMNSA-N 1 1 354.450 3.390 20 30 FGEDMO C=CCn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000520461615 504504815 /nfs/dbraw/zinc/50/48/15/504504815.db2.gz NDWGDSATGBETJN-ZWKOTPCHSA-N 1 1 353.514 3.282 20 30 FGEDMO N#Cc1cc(F)ccc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000548710292 504537109 /nfs/dbraw/zinc/53/71/09/504537109.db2.gz WVOZWXHSUIQAOL-HDICACEKSA-N 1 1 364.424 3.293 20 30 FGEDMO COCc1ccc(NC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1C#N ZINC000529208674 504584364 /nfs/dbraw/zinc/58/43/64/504584364.db2.gz RJDFCTSDGUIZMV-HXUWFJFHSA-N 1 1 364.449 3.101 20 30 FGEDMO COCc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000529210703 504585554 /nfs/dbraw/zinc/58/55/54/504585554.db2.gz DDZQWKMBWMKRBT-JKSUJKDBSA-N 1 1 370.497 3.479 20 30 FGEDMO COCc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1C#N ZINC000529212425 504586706 /nfs/dbraw/zinc/58/67/06/504586706.db2.gz LORWADQQGFTFBI-UXHICEINSA-N 1 1 364.449 3.272 20 30 FGEDMO COC(=O)c1cccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000535963924 504595525 /nfs/dbraw/zinc/59/55/25/504595525.db2.gz OTIQNJDQECVZMH-QGZVFWFLSA-N 1 1 363.461 3.051 20 30 FGEDMO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000539568962 504610979 /nfs/dbraw/zinc/61/09/79/504610979.db2.gz RANPVXYBPOMJTE-INIZCTEOSA-N 1 1 353.470 3.355 20 30 FGEDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000536034316 504613134 /nfs/dbraw/zinc/61/31/34/504613134.db2.gz CEUJGFVJPSSCLZ-NRFANRHFSA-N 1 1 363.461 3.410 20 30 FGEDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000536034316 504613140 /nfs/dbraw/zinc/61/31/40/504613140.db2.gz CEUJGFVJPSSCLZ-NRFANRHFSA-N 1 1 363.461 3.410 20 30 FGEDMO CC1=CC[N@@H+](CCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000545869734 504620457 /nfs/dbraw/zinc/62/04/57/504620457.db2.gz TXYBYGLFDVYFKV-UHFFFAOYSA-N 1 1 365.433 3.112 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000532483648 504666271 /nfs/dbraw/zinc/66/62/71/504666271.db2.gz JTIKFDYOIWSPHH-UHFFFAOYSA-N 1 1 365.477 3.106 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(C(=O)NCC)c1 ZINC000532483648 504666273 /nfs/dbraw/zinc/66/62/73/504666273.db2.gz JTIKFDYOIWSPHH-UHFFFAOYSA-N 1 1 365.477 3.106 20 30 FGEDMO CC1CC(C#N)(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000532528553 504683775 /nfs/dbraw/zinc/68/37/75/504683775.db2.gz VKAUEDSMDOYJIM-GWFKXHKXSA-N 1 1 351.494 3.439 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H]1C ZINC000532571848 504696738 /nfs/dbraw/zinc/69/67/38/504696738.db2.gz HTKPZXLRVFLDGP-HUUCEWRRSA-N 1 1 352.400 3.294 20 30 FGEDMO N#CCc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1 ZINC000521307309 504706557 /nfs/dbraw/zinc/70/65/57/504706557.db2.gz CDKPBRJAVZODFX-JOCHJYFZSA-N 1 1 359.473 3.302 20 30 FGEDMO N#CCc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1 ZINC000521307309 504706559 /nfs/dbraw/zinc/70/65/59/504706559.db2.gz CDKPBRJAVZODFX-JOCHJYFZSA-N 1 1 359.473 3.302 20 30 FGEDMO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H](O)C(F)(F)F ZINC000521318031 504708950 /nfs/dbraw/zinc/70/89/50/504708950.db2.gz JKCZDPMTUOCNOS-SFHVURJKSA-N 1 1 364.367 3.492 20 30 FGEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C[C@H](O)C(F)(F)F ZINC000521318031 504708953 /nfs/dbraw/zinc/70/89/53/504708953.db2.gz JKCZDPMTUOCNOS-SFHVURJKSA-N 1 1 364.367 3.492 20 30 FGEDMO N#Cc1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000549244855 504736556 /nfs/dbraw/zinc/73/65/56/504736556.db2.gz JRTZWDVKQVJTJE-LJQANCHMSA-N 1 1 362.477 3.294 20 30 FGEDMO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000543139232 504739224 /nfs/dbraw/zinc/73/92/24/504739224.db2.gz CDHUOWQJNVMXOS-UHFFFAOYSA-N 1 1 357.841 3.485 20 30 FGEDMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000543139232 504739225 /nfs/dbraw/zinc/73/92/25/504739225.db2.gz CDHUOWQJNVMXOS-UHFFFAOYSA-N 1 1 357.841 3.485 20 30 FGEDMO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000521647844 504768598 /nfs/dbraw/zinc/76/85/98/504768598.db2.gz CKOOXTWEWPECFV-HNNXBMFYSA-N 1 1 365.408 3.456 20 30 FGEDMO C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000549296585 504785162 /nfs/dbraw/zinc/78/51/62/504785162.db2.gz LGDHFZXQHKEKMY-UHFFFAOYSA-N 1 1 357.477 3.439 20 30 FGEDMO C[C@@H]1OCC[C@@]12C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](C)O2 ZINC000556091623 504793840 /nfs/dbraw/zinc/79/38/40/504793840.db2.gz ZETQIYQLTCSHOU-RVKKMQEKSA-N 1 1 369.383 3.205 20 30 FGEDMO C[C@@H]1OCC[C@@]12C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](C)O2 ZINC000556091623 504793842 /nfs/dbraw/zinc/79/38/42/504793842.db2.gz ZETQIYQLTCSHOU-RVKKMQEKSA-N 1 1 369.383 3.205 20 30 FGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000565114087 504797607 /nfs/dbraw/zinc/79/76/07/504797607.db2.gz RJVAPUODLCASFP-GOSISDBHSA-N 1 1 369.534 3.473 20 30 FGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000565114087 504797613 /nfs/dbraw/zinc/79/76/13/504797613.db2.gz RJVAPUODLCASFP-GOSISDBHSA-N 1 1 369.534 3.473 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNc2nc3c(cc2C#N)COCC3)[C@@H]1c1cccs1 ZINC000556200421 504818645 /nfs/dbraw/zinc/81/86/45/504818645.db2.gz IKWUIFAXMBRTEU-IFXJQAMLSA-N 1 1 368.506 3.004 20 30 FGEDMO COc1cc2c(cc1Cl)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2 ZINC000559450954 504866605 /nfs/dbraw/zinc/86/66/05/504866605.db2.gz MCFQMBQVOHTVBN-KRWDZBQOSA-N 1 1 372.852 3.018 20 30 FGEDMO COc1cc2c(cc1Cl)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2 ZINC000559450954 504866610 /nfs/dbraw/zinc/86/66/10/504866610.db2.gz MCFQMBQVOHTVBN-KRWDZBQOSA-N 1 1 372.852 3.018 20 30 FGEDMO CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000556419244 504869267 /nfs/dbraw/zinc/86/92/67/504869267.db2.gz HTHQUVCUILWDJU-HXUWFJFHSA-N 1 1 362.477 3.019 20 30 FGEDMO C=C(C)Cn1c(CC)nnc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549666762 504870188 /nfs/dbraw/zinc/87/01/88/504870188.db2.gz CKGLJDSDSHCRTI-LJQANCHMSA-N 1 1 353.514 3.375 20 30 FGEDMO N#Cc1c(F)cc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1F ZINC000549723688 504881752 /nfs/dbraw/zinc/88/17/52/504881752.db2.gz AJKCLMCFGPEMTM-IBGZPJMESA-N 1 1 373.378 3.256 20 30 FGEDMO N#Cc1c(F)cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1F ZINC000549723688 504881756 /nfs/dbraw/zinc/88/17/56/504881756.db2.gz AJKCLMCFGPEMTM-IBGZPJMESA-N 1 1 373.378 3.256 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000549749966 504888290 /nfs/dbraw/zinc/88/82/90/504888290.db2.gz MDEJWQJWMGTTCD-HNNXBMFYSA-N 1 1 352.400 3.438 20 30 FGEDMO C[N@H+]1CC[C@]2(CCN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C2)C1 ZINC000565515851 504909329 /nfs/dbraw/zinc/90/93/29/504909329.db2.gz WUYKFXOBMGZGAL-IBGZPJMESA-N 1 1 358.392 3.240 20 30 FGEDMO CN(C)c1cc(C#N)cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000559845033 504936388 /nfs/dbraw/zinc/93/63/88/504936388.db2.gz JCSGGJSLHBCRGM-HXUWFJFHSA-N 1 1 362.477 3.019 20 30 FGEDMO N#Cc1ccc(NC(=O)CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000556835610 504990015 /nfs/dbraw/zinc/99/00/15/504990015.db2.gz CZADXWYVIFAITA-QHCPKHFHSA-N 1 1 374.488 3.095 20 30 FGEDMO C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000565850745 505006271 /nfs/dbraw/zinc/00/62/71/505006271.db2.gz HCMJQMXYJAQUQW-NHCUHLMSSA-N 1 1 365.477 3.496 20 30 FGEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000554180905 505111643 /nfs/dbraw/zinc/11/16/43/505111643.db2.gz BOOPLXXSNXQYMD-OAQYLSRUSA-N 1 1 363.461 3.192 20 30 FGEDMO CN1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H]2CCC[C@H]21 ZINC000560523855 505113781 /nfs/dbraw/zinc/11/37/81/505113781.db2.gz FTZHELOGWPAMEK-IZBJGVDFSA-N 1 1 356.489 3.129 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000563366391 505122058 /nfs/dbraw/zinc/12/20/58/505122058.db2.gz YMFQAWWGEBSLHZ-PMACEKPBSA-N 1 1 369.509 3.014 20 30 FGEDMO CC(C)[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000560553215 505124243 /nfs/dbraw/zinc/12/42/43/505124243.db2.gz NHNWKOZWCLOBCR-IBGZPJMESA-N 1 1 357.498 3.483 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC(CCC#N)CC3)cc2)C[C@@H](C)O1 ZINC000566276571 505131859 /nfs/dbraw/zinc/13/18/59/505131859.db2.gz ZZBKIGHJQJBBOL-QZTJIDSGSA-N 1 1 369.509 3.452 20 30 FGEDMO C[C@@]1(NC(=O)c2ncc(C#N)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000566319826 505143882 /nfs/dbraw/zinc/14/38/82/505143882.db2.gz UXPVBIISPWCWIF-LJQANCHMSA-N 1 1 354.841 3.001 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000560614494 505144942 /nfs/dbraw/zinc/14/49/42/505144942.db2.gz GCVOWPXDVXOBBR-ICSRJNTNSA-N 1 1 371.843 3.455 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000560614494 505144946 /nfs/dbraw/zinc/14/49/46/505144946.db2.gz GCVOWPXDVXOBBR-ICSRJNTNSA-N 1 1 371.843 3.455 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000566593095 505215115 /nfs/dbraw/zinc/21/51/15/505215115.db2.gz XCBYGICWNFSLOG-XJUOHMSHSA-N 1 1 364.489 3.098 20 30 FGEDMO C[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000557742785 505219413 /nfs/dbraw/zinc/21/94/13/505219413.db2.gz VKAHUSZXMXKNCK-INIZCTEOSA-N 1 1 360.383 3.335 20 30 FGEDMO C=C(C)Cn1c(CC(C)C)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000561008373 505228940 /nfs/dbraw/zinc/22/89/40/505228940.db2.gz SCOVYWGEOBTNGQ-UHFFFAOYSA-N 1 1 359.543 3.436 20 30 FGEDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2OC)cc1 ZINC000551713527 505289362 /nfs/dbraw/zinc/28/93/62/505289362.db2.gz CHDVEQSZEQSWLU-AWEZNQCLSA-N 1 1 358.463 3.211 20 30 FGEDMO C=CCOc1c(Br)cc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000566973942 505328515 /nfs/dbraw/zinc/32/85/15/505328515.db2.gz QZDDYIBSZCKNNN-NEPJUHHUSA-N 1 1 357.292 3.238 20 30 FGEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000564160282 505342229 /nfs/dbraw/zinc/34/22/29/505342229.db2.gz IMXRHPAXOCQSQN-OAQYLSRUSA-N 1 1 354.425 3.003 20 30 FGEDMO C[C@@H](NC(=O)NCc1ccc(C#N)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561465186 505353213 /nfs/dbraw/zinc/35/32/13/505353213.db2.gz OAYJTPGGHBUYPF-NVXWUHKLSA-N 1 1 368.506 3.330 20 30 FGEDMO C=CCn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000564384052 505402470 /nfs/dbraw/zinc/40/24/70/505402470.db2.gz GSGKFDLPBXFYNG-HZPDHXFCSA-N 1 1 357.477 3.113 20 30 FGEDMO C[C@@H]1C[N@@H+](CCCNc2cccc(Br)c2C#N)CCCO1 ZINC000558608309 505438281 /nfs/dbraw/zinc/43/82/81/505438281.db2.gz NICPAPNYDMBSQK-CYBMUJFWSA-N 1 1 352.276 3.234 20 30 FGEDMO C=CCOc1cccc(C[N@@H+](C)CCn2cc(Br)cn2)c1 ZINC000561987578 505486486 /nfs/dbraw/zinc/48/64/86/505486486.db2.gz LJIDBBWQBGVELP-UHFFFAOYSA-N 1 1 350.260 3.342 20 30 FGEDMO COC(=O)c1ccc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C#N)n1 ZINC000567521055 505486985 /nfs/dbraw/zinc/48/69/85/505486985.db2.gz OABJTRRINKBWPV-HNNXBMFYSA-N 1 1 352.438 3.062 20 30 FGEDMO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000562031990 505496934 /nfs/dbraw/zinc/49/69/34/505496934.db2.gz QTZMYDOSGZIDRR-UHFFFAOYSA-N 1 1 366.513 3.289 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562061275 505507488 /nfs/dbraw/zinc/50/74/88/505507488.db2.gz IYTAMNSAAIIAGH-ILWGZMRPSA-N 1 1 369.553 3.253 20 30 FGEDMO CC[N@@H+](CCC1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1)CC1CC1 ZINC000552734116 505545474 /nfs/dbraw/zinc/54/54/74/505545474.db2.gz BYFAQTYIBOAGRJ-UHFFFAOYSA-N 1 1 357.458 3.200 20 30 FGEDMO CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000559047243 505556801 /nfs/dbraw/zinc/55/68/01/505556801.db2.gz PRLUQIPVLQUAPH-LEWJYISDSA-N 1 1 362.477 3.237 20 30 FGEDMO C[N@@H+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000552804363 505557552 /nfs/dbraw/zinc/55/75/52/505557552.db2.gz CSQMCWCEYXKRCU-YADHBBJMSA-N 1 1 361.489 3.144 20 30 FGEDMO C[N@H+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000552804363 505557555 /nfs/dbraw/zinc/55/75/55/505557555.db2.gz CSQMCWCEYXKRCU-YADHBBJMSA-N 1 1 361.489 3.144 20 30 FGEDMO Cc1cnccc1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000567771116 505561139 /nfs/dbraw/zinc/56/11/39/505561139.db2.gz QTMLDLDRCBCGPD-FQEVSTJZSA-N 1 1 354.885 3.468 20 30 FGEDMO CC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000599286167 506397245 /nfs/dbraw/zinc/39/72/45/506397245.db2.gz FXHFATPUTGQEIG-HKUYNNGSSA-N 1 1 360.498 3.019 20 30 FGEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000599286170 506397725 /nfs/dbraw/zinc/39/77/25/506397725.db2.gz FXHFATPUTGQEIG-PKOBYXMFSA-N 1 1 360.498 3.019 20 30 FGEDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000588973821 506401346 /nfs/dbraw/zinc/40/13/46/506401346.db2.gz HGCDQRLZNSZHBZ-MRXNPFEDSA-N 1 1 357.564 3.088 20 30 FGEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 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506899287 /nfs/dbraw/zinc/89/92/87/506899287.db2.gz YKIKKXQXSLRGRV-GOSISDBHSA-N 1 1 350.422 3.477 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597355171 506910111 /nfs/dbraw/zinc/91/01/11/506910111.db2.gz JJTIIAUMONIVLZ-VLIAUNLRSA-N 1 1 369.415 3.477 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000590750946 506937212 /nfs/dbraw/zinc/93/72/12/506937212.db2.gz MDPJXSQYBUGGBG-CGTJXYLNSA-N 1 1 361.873 3.166 20 30 FGEDMO N#CCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000590777774 506948535 /nfs/dbraw/zinc/94/85/35/506948535.db2.gz FGTXJRWLVPSCKM-BHDDXSALSA-N 1 1 352.526 3.007 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C[C@H]1CCOC1 ZINC000609631796 506954183 /nfs/dbraw/zinc/95/41/83/506954183.db2.gz ZVMHOIFCQWFDGY-JKSUJKDBSA-N 1 1 361.511 3.235 20 30 FGEDMO N#Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000609641110 506958931 /nfs/dbraw/zinc/95/89/31/506958931.db2.gz TXMRPABYPHULJL-GOSISDBHSA-N 1 1 354.841 3.174 20 30 FGEDMO N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594199431 507003189 /nfs/dbraw/zinc/00/31/89/507003189.db2.gz YZXJAORMKROBSR-HZPDHXFCSA-N 1 1 362.271 3.067 20 30 FGEDMO C=C(C)Cn1c(-c2ccccc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583884563 507029795 /nfs/dbraw/zinc/02/97/95/507029795.db2.gz APDDEYLOKCCJFI-HDICACEKSA-N 1 1 369.513 3.067 20 30 FGEDMO C=C(C)Cn1c(-c2ccccc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583884563 507029800 /nfs/dbraw/zinc/02/98/00/507029800.db2.gz APDDEYLOKCCJFI-HDICACEKSA-N 1 1 369.513 3.067 20 30 FGEDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000609987375 507063160 /nfs/dbraw/zinc/06/31/60/507063160.db2.gz ABRBQKCRLDYNNB-LJQANCHMSA-N 1 1 362.433 3.233 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000609987375 507063167 /nfs/dbraw/zinc/06/31/67/507063167.db2.gz ABRBQKCRLDYNNB-LJQANCHMSA-N 1 1 362.433 3.233 20 30 FGEDMO C=C[C@H](O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000613410799 507073741 /nfs/dbraw/zinc/07/37/41/507073741.db2.gz DXJUAYKBPMIVHQ-HRCADAONSA-N 1 1 354.853 3.056 20 30 FGEDMO C=C[C@H](O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000613410799 507073747 /nfs/dbraw/zinc/07/37/47/507073747.db2.gz DXJUAYKBPMIVHQ-HRCADAONSA-N 1 1 354.853 3.056 20 30 FGEDMO COC[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000591015700 507079188 /nfs/dbraw/zinc/07/91/88/507079188.db2.gz CPNAOWGXBKZCOF-UONOGXRCSA-N 1 1 361.511 3.184 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H]4COC[C@@H]43)sc2C1 ZINC000591040949 507090174 /nfs/dbraw/zinc/09/01/74/507090174.db2.gz HZZNJFCLCLCSMX-VBQJREDUSA-N 1 1 373.522 3.184 20 30 FGEDMO COc1ccccc1[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)c1ccco1 ZINC000600741424 507093641 /nfs/dbraw/zinc/09/36/41/507093641.db2.gz NPZKPHYGHSTPQP-OXQOHEQNSA-N 1 1 370.449 3.039 20 30 FGEDMO N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000597776075 507095218 /nfs/dbraw/zinc/09/52/18/507095218.db2.gz LHYVFGKHBBJDNA-IBGZPJMESA-N 1 1 363.436 3.499 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](n3ccnc3)C2)c2ccccc21 ZINC000591083607 507105577 /nfs/dbraw/zinc/10/55/77/507105577.db2.gz ZTHKLOJXTCNJIW-KRWDZBQOSA-N 1 1 361.449 3.271 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](n3ccnc3)C2)c2ccccc21 ZINC000591083607 507105585 /nfs/dbraw/zinc/10/55/85/507105585.db2.gz ZTHKLOJXTCNJIW-KRWDZBQOSA-N 1 1 361.449 3.271 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@H]1C ZINC000610125512 507106621 /nfs/dbraw/zinc/10/66/21/507106621.db2.gz AKTOPHSUGMJETH-CXAGYDPISA-N 1 1 374.554 3.302 20 30 FGEDMO N#Cc1ccc(C2(NC(=O)[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)CCC2)cc1 ZINC000594404042 507116933 /nfs/dbraw/zinc/11/69/33/507116933.db2.gz RWVUPPWIPWYXTL-HXUWFJFHSA-N 1 1 374.488 3.361 20 30 FGEDMO N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000594440996 507135096 /nfs/dbraw/zinc/13/50/96/507135096.db2.gz KMRAVMFDYVGKDR-ROUUACIJSA-N 1 1 362.905 3.004 20 30 FGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000613579971 507166261 /nfs/dbraw/zinc/16/62/61/507166261.db2.gz KMUDXZIJNADJNR-FPOVZHCZSA-N 1 1 356.514 3.478 20 30 FGEDMO N#Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1C(F)(F)F ZINC000610331078 507197856 /nfs/dbraw/zinc/19/78/56/507197856.db2.gz OZWYGHMMWZXHSZ-AWEZNQCLSA-N 1 1 352.360 3.183 20 30 FGEDMO CC[N@@H+]1CCO[C@@H](CNC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 ZINC000597980965 507207146 /nfs/dbraw/zinc/20/71/46/507207146.db2.gz WIFPEXVULIFHQC-OALUTQOASA-N 1 1 355.482 3.039 20 30 FGEDMO CC[N@H+]1CCO[C@@H](CNC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 ZINC000597980965 507207154 /nfs/dbraw/zinc/20/71/54/507207154.db2.gz WIFPEXVULIFHQC-OALUTQOASA-N 1 1 355.482 3.039 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000610356064 507209770 /nfs/dbraw/zinc/20/97/70/507209770.db2.gz ILOKZCCNULTISF-GOSISDBHSA-N 1 1 362.477 3.455 20 30 FGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610370664 507217062 /nfs/dbraw/zinc/21/70/62/507217062.db2.gz MOKPNQQFLZJARP-YLJYHZDGSA-N 1 1 368.477 3.064 20 30 FGEDMO C[N@@H+](Cc1ccc2nc(NC(=O)c3cccc(C#N)n3)sc2c1)C1CC1 ZINC000598027056 507224417 /nfs/dbraw/zinc/22/44/17/507224417.db2.gz FVSACANLELZCLP-UHFFFAOYSA-N 1 1 363.446 3.409 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)COc1ccc(C#N)cc1 ZINC000610446074 507244107 /nfs/dbraw/zinc/24/41/07/507244107.db2.gz PBJNLRDFWMLZRN-GOSISDBHSA-N 1 1 363.461 3.060 20 30 FGEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000594717303 507251838 /nfs/dbraw/zinc/25/18/38/507251838.db2.gz ZXNRMFOBAZXQQD-NRFANRHFSA-N 1 1 351.450 3.136 20 30 FGEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591451465 507256173 /nfs/dbraw/zinc/25/61/73/507256173.db2.gz GMQLYIWITXPHDY-GFCCVEGCSA-N 1 1 355.251 3.055 20 30 FGEDMO N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000584347139 507295251 /nfs/dbraw/zinc/29/52/51/507295251.db2.gz FHPPYPCNRJROHG-SLFFLAALSA-N 1 1 354.498 3.280 20 30 FGEDMO N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)c1 ZINC000598220447 507324475 /nfs/dbraw/zinc/32/44/75/507324475.db2.gz PIHCJIAASIPRNU-GOSISDBHSA-N 1 1 355.457 3.252 20 30 FGEDMO Cc1cc(N)cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000601568467 507389962 /nfs/dbraw/zinc/38/99/62/507389962.db2.gz PMXZMQVWRPNTJU-UHFFFAOYSA-N 1 1 363.465 3.189 20 30 FGEDMO C[C@H](NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000595099850 507391948 /nfs/dbraw/zinc/39/19/48/507391948.db2.gz PEVCIAYGMMHOPP-FXAWDEMLSA-N 1 1 366.484 3.164 20 30 FGEDMO C[C@H](NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000595099850 507391950 /nfs/dbraw/zinc/39/19/50/507391950.db2.gz PEVCIAYGMMHOPP-FXAWDEMLSA-N 1 1 366.484 3.164 20 30 FGEDMO COc1ccc(C[N@@H+](CCO)Cc2ccc(C(C)(C)C#N)cc2)c(OC)c1 ZINC000614167010 507392494 /nfs/dbraw/zinc/39/24/94/507392494.db2.gz ZAEWBJNNSSVQPD-UHFFFAOYSA-N 1 1 368.477 3.499 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1OC ZINC000584547551 507404937 /nfs/dbraw/zinc/40/49/37/507404937.db2.gz HHBSCUKKFODJRU-LZLYRXPVSA-N 1 1 358.482 3.062 20 30 FGEDMO C[C@@H]1C[N@H+](CCCCNc2c(C#N)cnc3c(F)ccc(F)c32)C[C@H](C)O1 ZINC000610864594 507419274 /nfs/dbraw/zinc/41/92/74/507419274.db2.gz KIDKNWVWWQQRJQ-OKILXGFUSA-N 1 1 374.435 3.108 20 30 FGEDMO N#Cc1cc(O)cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000614295245 507444717 /nfs/dbraw/zinc/44/47/17/507444717.db2.gz HKHAASKFADOHTC-LJQANCHMSA-N 1 1 369.852 3.484 20 30 FGEDMO N#Cc1ccc(CC[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000595286404 507448575 /nfs/dbraw/zinc/44/85/75/507448575.db2.gz HCXLATXITQLQJJ-UHFFFAOYSA-N 1 1 351.425 3.088 20 30 FGEDMO COC(=O)C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000610953290 507452555 /nfs/dbraw/zinc/45/25/55/507452555.db2.gz GXZNZQKQBNVBPQ-HNNXBMFYSA-N 1 1 355.356 3.354 20 30 FGEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610989660 507468621 /nfs/dbraw/zinc/46/86/21/507468621.db2.gz UDBOMBSIRGLLIU-MISYRCLQSA-N 1 1 360.498 3.018 20 30 FGEDMO Cc1cnc(CC[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(C)c1 ZINC000592100844 507482371 /nfs/dbraw/zinc/48/23/71/507482371.db2.gz KBGPVAILUYVFGK-OAQYLSRUSA-N 1 1 352.457 3.263 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2(c3ccccc3F)CCC2)c1 ZINC000592144278 507507179 /nfs/dbraw/zinc/50/71/79/507507179.db2.gz HDDCNQNBBRQLMN-UHFFFAOYSA-N 1 1 358.438 3.140 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H](O)CC(C)(C)C#N ZINC000598587426 507508544 /nfs/dbraw/zinc/50/85/44/507508544.db2.gz QOUFMQVZUWAVKK-CYBMUJFWSA-N 1 1 371.403 3.267 20 30 FGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000598588674 507508562 /nfs/dbraw/zinc/50/85/62/507508562.db2.gz MXJCJRPQSIDHNU-CQSZACIVSA-N 1 1 359.297 3.479 20 30 FGEDMO N#CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000592151490 507510219 /nfs/dbraw/zinc/51/02/19/507510219.db2.gz MLRJASYTEWGCJR-OAQYLSRUSA-N 1 1 365.433 3.158 20 30 FGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000598596058 507510477 /nfs/dbraw/zinc/51/04/77/507510477.db2.gz QFOISMQOKCTLJW-CVEARBPZSA-N 1 1 356.388 3.379 20 30 FGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000598596058 507510482 /nfs/dbraw/zinc/51/04/82/507510482.db2.gz QFOISMQOKCTLJW-CVEARBPZSA-N 1 1 356.388 3.379 20 30 FGEDMO N#CC[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000595479851 507520068 /nfs/dbraw/zinc/52/00/68/507520068.db2.gz NRYXASIPAUWGHB-SJORKVTESA-N 1 1 360.527 3.295 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183032 507527501 /nfs/dbraw/zinc/52/75/01/507527501.db2.gz HTXYVFLTROMIRU-KGLIPLIRSA-N 1 1 361.873 3.430 20 30 FGEDMO C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1sc3c(c1C#N)CCC3)CCOCC2 ZINC000592184341 507528279 /nfs/dbraw/zinc/52/82/79/507528279.db2.gz OPALLTJFVUDEJA-CQSZACIVSA-N 1 1 373.522 3.328 20 30 FGEDMO CCCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H]1CCc2ncsc2C1 ZINC000592187271 507529774 /nfs/dbraw/zinc/52/97/74/507529774.db2.gz ISACIHDDDQAHIP-HZPDHXFCSA-N 1 1 362.543 3.111 20 30 FGEDMO CCOc1cncc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000598679495 507549548 /nfs/dbraw/zinc/54/95/48/507549548.db2.gz VMAUXCDVXMDMBE-UHFFFAOYSA-N 1 1 350.466 3.060 20 30 FGEDMO CCCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CC[N@@H+](C)C1 ZINC000592258209 507566701 /nfs/dbraw/zinc/56/67/01/507566701.db2.gz OBVZULSJDUABFR-AWEZNQCLSA-N 1 1 370.375 3.405 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CC#N)C1 ZINC000595582068 507573509 /nfs/dbraw/zinc/57/35/09/507573509.db2.gz DXFHIBWLVAKXJU-VQTJNVASSA-N 1 1 356.514 3.478 20 30 FGEDMO N#CCCCOc1cccc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000611254038 507582193 /nfs/dbraw/zinc/58/21/93/507582193.db2.gz IBZHBDLWTDMZEC-OAQYLSRUSA-N 1 1 357.498 3.056 20 30 FGEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000586776200 507669101 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Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(C#N)c1C ZINC000595785396 507683200 /nfs/dbraw/zinc/68/32/00/507683200.db2.gz FEMFWVHFTIESAR-WBVHZDCISA-N 1 1 361.511 3.456 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)c1ccccc1 ZINC000595789435 507687344 /nfs/dbraw/zinc/68/73/44/507687344.db2.gz NMAYPUHUAHYJAA-QUCCMNQESA-N 1 1 355.482 3.214 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H]1C ZINC000592515923 507690224 /nfs/dbraw/zinc/69/02/24/507690224.db2.gz YUKKUKPYVFJULN-IIBYNOLFSA-N 1 1 364.445 3.378 20 30 FGEDMO COc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)ccc1OCc1cccs1 ZINC000592523580 507692905 /nfs/dbraw/zinc/69/29/05/507692905.db2.gz OSVGRPKZNROEQM-IBGZPJMESA-N 1 1 358.463 3.186 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)ccc1OCc1cccs1 ZINC000592523580 507692912 /nfs/dbraw/zinc/69/29/12/507692912.db2.gz OSVGRPKZNROEQM-IBGZPJMESA-N 1 1 358.463 3.186 20 30 FGEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000595825990 507703356 /nfs/dbraw/zinc/70/33/56/507703356.db2.gz IRBIYCDIDRAMJY-NRFANRHFSA-N 1 1 362.477 3.144 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595826339 507703641 /nfs/dbraw/zinc/70/36/41/507703641.db2.gz NGBWRZDGPAZJJB-QGZVFWFLSA-N 1 1 368.506 3.386 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595826339 507703645 /nfs/dbraw/zinc/70/36/45/507703645.db2.gz NGBWRZDGPAZJJB-QGZVFWFLSA-N 1 1 368.506 3.386 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000595827107 507703935 /nfs/dbraw/zinc/70/39/35/507703935.db2.gz ASWGHVSMANDHCG-LAUBAEHRSA-N 1 1 369.509 3.289 20 30 FGEDMO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1Br)C(=O)N1CCCC1 ZINC000611500963 507709744 /nfs/dbraw/zinc/70/97/44/507709744.db2.gz ZZKMWENNPCOAPN-INIZCTEOSA-N 1 1 364.287 3.057 20 30 FGEDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000611500821 507709936 /nfs/dbraw/zinc/70/99/36/507709936.db2.gz PLKVMDZJGCACKL-CQSZACIVSA-N 1 1 351.244 3.238 20 30 FGEDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000611500821 507709939 /nfs/dbraw/zinc/70/99/39/507709939.db2.gz PLKVMDZJGCACKL-CQSZACIVSA-N 1 1 351.244 3.238 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000587978331 507723182 /nfs/dbraw/zinc/72/31/82/507723182.db2.gz PLFLZGRVBPHJDI-HUUCEWRRSA-N 1 1 357.458 3.139 20 30 FGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000611555301 507736989 /nfs/dbraw/zinc/73/69/89/507736989.db2.gz WDUZVJUHIWYZRS-FVQBIDKESA-N 1 1 356.388 3.155 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1C#N ZINC000595912164 507738226 /nfs/dbraw/zinc/73/82/26/507738226.db2.gz YRTRCDSMLZFJQR-SZPZYZBQSA-N 1 1 362.477 3.445 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1C#N ZINC000595912164 507738231 /nfs/dbraw/zinc/73/82/31/507738231.db2.gz YRTRCDSMLZFJQR-SZPZYZBQSA-N 1 1 362.477 3.445 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(OC)c(C#N)c3)C2)s1 ZINC000595915960 507743221 /nfs/dbraw/zinc/74/32/21/507743221.db2.gz CYVUJQHVDTWFMQ-CQSZACIVSA-N 1 1 371.462 3.190 20 30 FGEDMO C=CCN1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602539337 507743270 /nfs/dbraw/zinc/74/32/70/507743270.db2.gz JWRQQKSUKZBORX-UHFFFAOYSA-N 1 1 360.277 3.159 20 30 FGEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602553868 507748271 /nfs/dbraw/zinc/74/82/71/507748271.db2.gz XGNCVNSBBWTASI-UHFFFAOYSA-N 1 1 357.454 3.230 20 30 FGEDMO N#CC1(CNC(=O)[C@@H]([NH3+])c2ccccc2Br)CCCCC1 ZINC000595943728 507749266 /nfs/dbraw/zinc/74/92/66/507749266.db2.gz NTTZVDGGMLTGLG-AWEZNQCLSA-N 1 1 350.260 3.039 20 30 FGEDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000588070145 507751839 /nfs/dbraw/zinc/75/18/39/507751839.db2.gz CUHIRYXSADKDJC-GXTWGEPZSA-N 1 1 374.847 3.198 20 30 FGEDMO Cc1cc(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC000592695305 507767439 /nfs/dbraw/zinc/76/74/39/507767439.db2.gz YMTKIEUBOUEMIZ-HXUWFJFHSA-N 1 1 362.477 3.387 20 30 FGEDMO CC(C)N(C(=O)c1ccc(C#N)n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592694554 507767445 /nfs/dbraw/zinc/76/74/45/507767445.db2.gz HKGAFXBIUTZPAX-IBGZPJMESA-N 1 1 350.466 3.022 20 30 FGEDMO C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722612 601044038 /nfs/dbraw/zinc/04/40/38/601044038.db2.gz FZRVWQOVGPQRTD-PZJWPPBQSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722612 601044041 /nfs/dbraw/zinc/04/40/41/601044041.db2.gz FZRVWQOVGPQRTD-PZJWPPBQSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722612 601044044 /nfs/dbraw/zinc/04/40/44/601044044.db2.gz FZRVWQOVGPQRTD-PZJWPPBQSA-N 1 1 363.461 3.138 20 30 FGEDMO C[C@@H]1C[C@@H]([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000828184311 601308126 /nfs/dbraw/zinc/30/81/26/601308126.db2.gz ORQCGNRSJUZAJG-CZAAIQMYSA-N 1 1 363.461 3.327 20 30 FGEDMO C[C@@H]1C[C@@H]([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000828184311 601308128 /nfs/dbraw/zinc/30/81/28/601308128.db2.gz ORQCGNRSJUZAJG-CZAAIQMYSA-N 1 1 363.461 3.327 20 30 FGEDMO N#Cc1cccc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000826386451 608420790 /nfs/dbraw/zinc/42/07/90/608420790.db2.gz FYISTWZRFCZDCS-UHFFFAOYSA-N 1 1 360.396 3.167 20 30 FGEDMO N#Cc1cccc(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1F ZINC000826386451 608420792 /nfs/dbraw/zinc/42/07/92/608420792.db2.gz FYISTWZRFCZDCS-UHFFFAOYSA-N 1 1 360.396 3.167 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000823909879 608647372 /nfs/dbraw/zinc/64/73/72/608647372.db2.gz SLBLBXNTQBKXDL-UHFFFAOYSA-N 1 1 353.401 3.203 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000823909879 608647375 /nfs/dbraw/zinc/64/73/75/608647375.db2.gz SLBLBXNTQBKXDL-UHFFFAOYSA-N 1 1 353.401 3.203 20 30 FGEDMO C=C(Br)CNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000069245478 695948524 /nfs/dbraw/zinc/94/85/24/695948524.db2.gz HHGGHLLWADYJBA-UHFFFAOYSA-N 1 1 366.303 3.031 20 30 FGEDMO Cc1nc(N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)sc1C ZINC000093688885 700453639 /nfs/dbraw/zinc/45/36/39/700453639.db2.gz PHHHORSSFIHRRO-AWEZNQCLSA-N 1 1 356.495 3.373 20 30 FGEDMO C=CCn1c2ncn(Cc3cn4c(cccc4C)[nH+]3)c(=O)c2sc1=S ZINC000120905299 700662202 /nfs/dbraw/zinc/66/22/02/700662202.db2.gz GXHIGNWQKFPLQP-UHFFFAOYSA-N 1 1 369.475 3.179 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000158186884 705176336 /nfs/dbraw/zinc/17/63/36/705176336.db2.gz ZEKIJTHLBPXCSU-SFHVURJKSA-N 1 1 365.260 3.393 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1O ZINC000164356623 705328567 /nfs/dbraw/zinc/32/85/67/705328567.db2.gz UUZBDLWMTGUWAK-UHFFFAOYSA-N 1 1 358.404 3.199 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000174282028 705496248 /nfs/dbraw/zinc/49/62/48/705496248.db2.gz AWOQVBDZZZETEV-QGZVFWFLSA-N 1 1 357.479 3.312 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CC2CC(O)C2)cc1OC ZINC000191155269 712831522 /nfs/dbraw/zinc/83/15/22/712831522.db2.gz GIIFPUYZTCSMGO-UHFFFAOYSA-N 1 1 370.287 3.225 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000246850604 713631521 /nfs/dbraw/zinc/63/15/21/713631521.db2.gz ZWGZRFYSCGHWTN-HXUWFJFHSA-N 1 1 355.869 3.457 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)C1 ZINC000329123092 713827595 /nfs/dbraw/zinc/82/75/95/713827595.db2.gz RNARFBYHQMVLNW-GDBMZVCRSA-N 1 1 367.559 3.155 20 30 FGEDMO C[N@@H+](CCNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)C1CCCCC1 ZINC000329162988 713827829 /nfs/dbraw/zinc/82/78/29/713827829.db2.gz FZNOQYZCRFLOGN-QGZVFWFLSA-N 1 1 367.559 3.299 20 30 FGEDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cn(-c2ccccc2Cl)nn1 ZINC000329191603 713828337 /nfs/dbraw/zinc/82/83/37/713828337.db2.gz SLGBYSZEYTZIPZ-CYBMUJFWSA-N 1 1 359.861 3.242 20 30 FGEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)C1CCN(c2ccccc2)CC1 ZINC000373921868 713883860 /nfs/dbraw/zinc/88/38/60/713883860.db2.gz MSQKOXHSDMCCJV-UHFFFAOYSA-N 1 1 354.479 3.159 20 30 FGEDMO Cc1cnc([C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)s1 ZINC000374233904 713907005 /nfs/dbraw/zinc/90/70/05/713907005.db2.gz CNWWWUVGXZWMET-CVEARBPZSA-N 1 1 360.527 3.362 20 30 FGEDMO Cc1cnc([C@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)s1 ZINC000374233904 713907006 /nfs/dbraw/zinc/90/70/06/713907006.db2.gz CNWWWUVGXZWMET-CVEARBPZSA-N 1 1 360.527 3.362 20 30 FGEDMO N#CCCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000426418147 714018659 /nfs/dbraw/zinc/01/86/59/714018659.db2.gz DYWSOCKJROYYPI-UHFFFAOYSA-N 1 1 355.269 3.171 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000522096396 714169806 /nfs/dbraw/zinc/16/98/06/714169806.db2.gz ASVGNBZOKCODTH-PKOBYXMFSA-N 1 1 356.853 3.441 20 30 FGEDMO C=CC[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000522576806 714193542 /nfs/dbraw/zinc/19/35/42/714193542.db2.gz FBKMXAZVNCJSOZ-MRXNPFEDSA-N 1 1 364.921 3.116 20 30 FGEDMO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522977040 714214970 /nfs/dbraw/zinc/21/49/70/714214970.db2.gz SWZAWIIRHOENKP-XNRPHZJLSA-N 1 1 353.388 3.364 20 30 FGEDMO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000802556816 724390231 /nfs/dbraw/zinc/39/02/31/724390231.db2.gz GSWVXVNJJQYEGY-AWEZNQCLSA-N 1 1 360.893 3.100 20 30 FGEDMO C[C@@H]1C[NH+]=C(NN=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 ZINC000779792402 724427336 /nfs/dbraw/zinc/42/73/36/724427336.db2.gz RAVOTAFUELSHMZ-SECBINFHSA-N 1 1 353.373 3.100 20 30 FGEDMO C[C@H]1C[NH+]=C(NN=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)N1 ZINC000779792403 724427413 /nfs/dbraw/zinc/42/74/13/724427413.db2.gz RAVOTAFUELSHMZ-VIFPVBQESA-N 1 1 353.373 3.100 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1OC ZINC000628336606 716143243 /nfs/dbraw/zinc/14/32/43/716143243.db2.gz KZNXAQKYNXHKNB-CQSZACIVSA-N 1 1 362.861 3.027 20 30 FGEDMO CC(C)[C@@H](C=[NH+]n1cc(Br)cn1)CNC(=O)OC(C)(C)C ZINC000794524141 723529129 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C=C[C@H](CO)[NH2+]CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC000662168061 720386859 /nfs/dbraw/zinc/38/68/59/720386859.db2.gz RIRVXKHOTQOQPS-OAHLLOKOSA-N 1 1 359.495 3.183 20 30 FGEDMO C=CCn1c(CCCc2cccs2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669804276 721487823 /nfs/dbraw/zinc/48/78/23/721487823.db2.gz IKBCXJFUPNULRX-MRXNPFEDSA-N 1 1 359.543 3.231 20 30 FGEDMO Cc1ccnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1C#N ZINC001164908442 721747088 /nfs/dbraw/zinc/74/70/88/721747088.db2.gz JCKAGWSJFUNUEZ-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO Cc1ccnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1C#N ZINC001164908442 721747092 /nfs/dbraw/zinc/74/70/92/721747092.db2.gz JCKAGWSJFUNUEZ-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO C=CC[NH+]1CCN(c2nc3ccccc3nc2N2CCCC[C@@H]2C)CC1 ZINC001165032559 721870445 /nfs/dbraw/zinc/87/04/45/721870445.db2.gz YOUDLFGJNDEFMP-KRWDZBQOSA-N 1 1 351.498 3.317 20 30 FGEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165043295 721925601 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CCC[N@@H+](C)C[C@H]1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000790697328 723168054 /nfs/dbraw/zinc/16/80/54/723168054.db2.gz IXVXXXMCLOCGIS-MRXNPFEDSA-N 1 1 352.400 3.247 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000762709553 723273415 /nfs/dbraw/zinc/27/34/15/723273415.db2.gz YZPSGMPJGWTVDU-SFHVURJKSA-N 1 1 373.294 3.162 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000762709553 723273420 /nfs/dbraw/zinc/27/34/20/723273420.db2.gz YZPSGMPJGWTVDU-SFHVURJKSA-N 1 1 373.294 3.162 20 30 FGEDMO C[N@@H+](CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CCSC1 ZINC000764326741 723407254 /nfs/dbraw/zinc/40/72/54/723407254.db2.gz QYBDNTNWHOKKHM-INIZCTEOSA-N 1 1 371.531 3.340 20 30 FGEDMO C[C@H]1CCSCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000794570023 723531899 /nfs/dbraw/zinc/53/18/99/723531899.db2.gz COFMARPZUDPRJM-ZFWWWQNUSA-N 1 1 352.463 3.051 20 30 FGEDMO C#CC[N@@H+](CCn1ccnc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000766244297 723564308 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FGEDMO CCOCCC[N@H+]1CCC(N=Nc2ccnc(Br)c2)[C@H](C)C1 ZINC000769797840 723696022 /nfs/dbraw/zinc/69/60/22/723696022.db2.gz DDLFBLVJTXAJSU-CYBMUJFWSA-N 1 1 369.307 3.380 20 30 FGEDMO C#CC[NH+]1CCC(c2nc(Cc3nc4cc(F)ccc4s3)no2)CC1 ZINC000770876256 723722522 /nfs/dbraw/zinc/72/25/22/723722522.db2.gz QCNPUNRFQJUGOF-UHFFFAOYSA-N 1 1 356.426 3.222 20 30 FGEDMO Brc1ccc2ccc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)nc2c1 ZINC000771557866 723737469 /nfs/dbraw/zinc/73/74/69/723737469.db2.gz PPQARKYDRWAIQX-HUUCEWRRSA-N 1 1 372.270 3.191 20 30 FGEDMO CCC(=NNCCC[NH+]1CCOCC1)c1cc(F)cc(Br)c1 ZINC000799487894 724034119 /nfs/dbraw/zinc/03/41/19/724034119.db2.gz GTLPEQLVZMUAQS-UHFFFAOYSA-N 1 1 372.282 3.014 20 30 FGEDMO FC(F)(F)CC(=NNCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000799488173 724034431 /nfs/dbraw/zinc/03/44/31/724034431.db2.gz OKZOTSSXFNOYNJ-UHFFFAOYSA-N 1 1 363.811 3.308 20 30 FGEDMO C#C[C@H]([NH2+]Cc1cccc(Br)c1OC(F)F)[C@@H]1CCCO1 ZINC000775789984 724061840 /nfs/dbraw/zinc/06/18/40/724061840.db2.gz OENNHTSQAHGYSG-STQMWFEESA-N 1 1 360.198 3.321 20 30 FGEDMO CCCCCCCS(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000799819523 724100539 /nfs/dbraw/zinc/10/05/39/724100539.db2.gz LYVNBRKSRFJKKR-LJQANCHMSA-N 1 1 352.544 3.398 20 30 FGEDMO CC(C[NH+]1CCCCCC1)N=Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000777440766 724226360 /nfs/dbraw/zinc/22/63/60/724226360.db2.gz LJZIFEQHZPLATC-UHFFFAOYSA-N 1 1 359.442 3.347 20 30 FGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc([N+](=O)[O-])cc1Br ZINC000777448939 724227225 /nfs/dbraw/zinc/22/72/25/724227225.db2.gz SQAYJFHSYWWULR-VIFPVBQESA-N 1 1 353.220 3.239 20 30 FGEDMO C=CCCC[N@@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000777955548 724275169 /nfs/dbraw/zinc/27/51/69/724275169.db2.gz ONQQGWBMZMVGGO-UHFFFAOYSA-N 1 1 372.206 3.055 20 30 FGEDMO C=CCCC[N@H+](C)Cn1c2ccc(I)cc2oc1=O ZINC000777955548 724275171 /nfs/dbraw/zinc/27/51/71/724275171.db2.gz ONQQGWBMZMVGGO-UHFFFAOYSA-N 1 1 372.206 3.055 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000801914924 724344736 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/nfs/dbraw/zinc/33/92/87/494339287.db2.gz ICVYRBPRBCTCOE-UHFFFAOYSA-N 1 1 361.804 3.300 20 30 FGEDMO C[N@@H+](CCOc1ccc(F)cc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000015101327 494339293 /nfs/dbraw/zinc/33/92/93/494339293.db2.gz ICVYRBPRBCTCOE-UHFFFAOYSA-N 1 1 361.804 3.300 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000073895051 494444506 /nfs/dbraw/zinc/44/45/06/494444506.db2.gz DXYROCPGAAMPJI-DTWKUNHWSA-N 1 1 362.232 3.183 20 30 FGEDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000066954479 494445392 /nfs/dbraw/zinc/44/53/92/494445392.db2.gz UBVFTZZTGQQNAQ-OAHLLOKOSA-N 1 1 364.515 3.171 20 30 FGEDMO Cc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000045679067 494451160 /nfs/dbraw/zinc/45/11/60/494451160.db2.gz YEOWOTBCBLCSNU-UHFFFAOYSA-N 1 1 368.506 3.346 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000046436902 494528059 /nfs/dbraw/zinc/52/80/59/494528059.db2.gz WBOVUQQPAXIEMI-CALCHBBNSA-N 1 1 363.461 3.097 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000046436902 494528061 /nfs/dbraw/zinc/52/80/61/494528061.db2.gz WBOVUQQPAXIEMI-CALCHBBNSA-N 1 1 363.461 3.097 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)CNc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000079945035 494553351 /nfs/dbraw/zinc/55/33/51/494553351.db2.gz ZFOHFZQPWRFBEJ-DYESRHJHSA-N 1 1 362.477 3.139 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(C#N)c(OC)c1 ZINC000574240376 505727648 /nfs/dbraw/zinc/72/76/48/505727648.db2.gz LMIFVBDNJZUBHP-OAQYLSRUSA-N 1 1 364.493 3.448 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000046893172 494580161 /nfs/dbraw/zinc/58/01/61/494580161.db2.gz KKQNINAVFDSRSK-UHFFFAOYSA-N 1 1 362.477 3.148 20 30 FGEDMO CCC[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000107700761 494588299 /nfs/dbraw/zinc/58/82/99/494588299.db2.gz LHOWTQVWGMHHGJ-LPHOPBHVSA-N 1 1 370.497 3.175 20 30 FGEDMO CCC[N@@H+](CC(=O)NC)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092381921 494610568 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FGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000067963404 494710498 /nfs/dbraw/zinc/71/04/98/494710498.db2.gz JRZCBRZBAYRCGB-QGZVFWFLSA-N 1 1 364.367 3.449 20 30 FGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000121439333 494756749 /nfs/dbraw/zinc/75/67/49/494756749.db2.gz MIGBPMZKVRLPEM-UHFFFAOYSA-N 1 1 365.481 3.075 20 30 FGEDMO N#Cc1ccc(CSCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000047719941 494765628 /nfs/dbraw/zinc/76/56/28/494765628.db2.gz KAEJYKALMKYQAT-SFHVURJKSA-N 1 1 369.490 3.338 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccccc1OCC#N ZINC000131926802 494775242 /nfs/dbraw/zinc/77/52/42/494775242.db2.gz ZALAQOOKVXZTSN-SFHVURJKSA-N 1 1 363.461 3.326 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1OC ZINC000092075851 494780312 /nfs/dbraw/zinc/78/03/12/494780312.db2.gz KLPZJQWHMMUEQJ-LJQANCHMSA-N 1 1 366.461 3.323 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1OC ZINC000092075851 494780315 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C[C@H](CCO)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000093304206 494865317 /nfs/dbraw/zinc/86/53/17/494865317.db2.gz NZDDZCXNJAVPHG-QGZVFWFLSA-N 1 1 351.450 3.160 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)CCO)c(C#N)c1C ZINC000093304251 494865404 /nfs/dbraw/zinc/86/54/04/494865404.db2.gz ALYWHQLZLFEGLS-CQSZACIVSA-N 1 1 371.506 3.448 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)CCO)c(C#N)c1C ZINC000093304251 494865406 /nfs/dbraw/zinc/86/54/06/494865406.db2.gz ALYWHQLZLFEGLS-CQSZACIVSA-N 1 1 371.506 3.448 20 30 FGEDMO C[C@](C#N)(NC(=O)C[N@@H+](CCc1ccc(Cl)cc1)CC1CC1)C1CC1 ZINC000116892553 494867791 /nfs/dbraw/zinc/86/77/91/494867791.db2.gz KQTYJXJMSMWZGI-HXUWFJFHSA-N 1 1 359.901 3.403 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCCc2cccnc21 ZINC000127022554 494881650 /nfs/dbraw/zinc/88/16/50/494881650.db2.gz BXJJQPNBSYWEPJ-NQIIRXRSSA-N 1 1 356.514 3.471 20 30 FGEDMO COc1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1OCCCC#N ZINC000093455633 494894157 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CC(C)[N@@H+](C)Cc1cccc(CNC(=O)COc2ccc(C#N)cc2)c1 ZINC000110871052 495015664 /nfs/dbraw/zinc/01/56/64/495015664.db2.gz OWLGVVBQIUILCZ-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO COc1ccccc1CCNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000123206784 495096371 /nfs/dbraw/zinc/09/63/71/495096371.db2.gz MKBHCCGIZNTZDV-UHFFFAOYSA-N 1 1 365.477 3.136 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000128499614 495105597 /nfs/dbraw/zinc/10/55/97/495105597.db2.gz JXPXQMGUNSRJQM-HXUWFJFHSA-N 1 1 368.502 3.429 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000128499356 495105657 /nfs/dbraw/zinc/10/56/57/495105657.db2.gz JXPXQMGUNSRJQM-FQEVSTJZSA-N 1 1 368.502 3.429 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1C#N ZINC000134979043 495233879 /nfs/dbraw/zinc/23/38/79/495233879.db2.gz WHQUUBPNAZMKQK-KRWDZBQOSA-N 1 1 365.481 3.264 20 30 FGEDMO Cc1csc(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000103472860 495237624 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COc1ccccc1CC[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000104710991 495298806 /nfs/dbraw/zinc/29/88/06/495298806.db2.gz LKYZSQBYKKESOY-UHFFFAOYSA-N 1 1 357.841 3.333 20 30 FGEDMO COc1ccccc1CC[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000104710991 495298809 /nfs/dbraw/zinc/29/88/09/495298809.db2.gz LKYZSQBYKKESOY-UHFFFAOYSA-N 1 1 357.841 3.333 20 30 FGEDMO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714211 495300236 /nfs/dbraw/zinc/30/02/36/495300236.db2.gz KFDFSGGLQAUEOB-OAHLLOKOSA-N 1 1 369.490 3.168 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1)c1cccc(Cl)c1 ZINC000120198210 495325986 /nfs/dbraw/zinc/32/59/86/495325986.db2.gz OVSCYTHPIXPYER-HNNXBMFYSA-N 1 1 361.873 3.088 20 30 FGEDMO CCOc1ccnc(N2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000135789875 495333779 /nfs/dbraw/zinc/33/37/79/495333779.db2.gz GCTQAJIUCGIADG-INIZCTEOSA-N 1 1 351.454 3.020 20 30 FGEDMO C=CCNc1ncc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)s1 ZINC000136243823 495366780 /nfs/dbraw/zinc/36/67/80/495366780.db2.gz ZRJOCAHXRQJEMG-CQSZACIVSA-N 1 1 360.483 3.209 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1CC(C)C ZINC000130280027 495367052 /nfs/dbraw/zinc/36/70/52/495367052.db2.gz DFSHMCRNEDDVBG-GOSISDBHSA-N 1 1 374.529 3.462 20 30 FGEDMO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000114424893 495371929 /nfs/dbraw/zinc/37/19/29/495371929.db2.gz JSCNBTMJMGMZMK-YOEHRIQHSA-N 1 1 370.415 3.377 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000568792701 505778451 /nfs/dbraw/zinc/77/84/51/505778451.db2.gz VOAUSRQHMSIMNE-SFHVURJKSA-N 1 1 364.449 3.350 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000136951325 495412580 /nfs/dbraw/zinc/41/25/80/495412580.db2.gz DOITXJLBISTWKV-KRWDZBQOSA-N 1 1 366.431 3.183 20 30 FGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130828981 495452181 /nfs/dbraw/zinc/45/21/81/495452181.db2.gz YQPYHJTUCHRCTL-UHFFFAOYSA-N 1 1 373.416 3.337 20 30 FGEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCc2ccccc21 ZINC000139205627 495474603 /nfs/dbraw/zinc/47/46/03/495474603.db2.gz AKYARCIOPKPJMF-FQEVSTJZSA-N 1 1 371.444 3.302 20 30 FGEDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115341212 495492767 /nfs/dbraw/zinc/49/27/67/495492767.db2.gz CWHILJAFOAYMRG-IBGZPJMESA-N 1 1 363.461 3.209 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106790336 495496241 /nfs/dbraw/zinc/49/62/41/495496241.db2.gz NLYPSLDJYZQEMM-XLIONFOSSA-N 1 1 355.482 3.095 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H](C)O)c1C#N ZINC000106863050 495502712 /nfs/dbraw/zinc/50/27/12/495502712.db2.gz DTCMWIZFNVSJHD-VQIMIIECSA-N 1 1 372.513 3.266 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)c1C#N ZINC000106863050 495502715 /nfs/dbraw/zinc/50/27/15/495502715.db2.gz DTCMWIZFNVSJHD-VQIMIIECSA-N 1 1 372.513 3.266 20 30 FGEDMO C[N@H+](CCCOc1ccc(Cl)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536625 495514669 /nfs/dbraw/zinc/51/46/69/495514669.db2.gz XJVZOMFQPLRYLB-GOSISDBHSA-N 1 1 357.841 3.139 20 30 FGEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536625 495514671 /nfs/dbraw/zinc/51/46/71/495514671.db2.gz XJVZOMFQPLRYLB-GOSISDBHSA-N 1 1 357.841 3.139 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000115560512 495517280 /nfs/dbraw/zinc/51/72/80/495517280.db2.gz YERCBLSBHRWHHC-AZUAARDMSA-N 1 1 354.475 3.088 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+][C@H]2CCc3c2cccc3Br)C(N)=O)cc1 ZINC000115599349 495521174 /nfs/dbraw/zinc/52/11/74/495521174.db2.gz CNWFMDVVRABIHM-IRXDYDNUSA-N 1 1 370.250 3.124 20 30 FGEDMO Cc1nsc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1C#N ZINC000580565279 505787201 /nfs/dbraw/zinc/78/72/01/505787201.db2.gz LFSRBCRVZAOKFA-BBRMVZONSA-N 1 1 355.467 3.108 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1 ZINC000107542879 495528812 /nfs/dbraw/zinc/52/88/12/495528812.db2.gz QQVYSJCCYALSBS-UHFFFAOYSA-N 1 1 358.445 3.388 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1 ZINC000107542879 495528813 /nfs/dbraw/zinc/52/88/13/495528813.db2.gz QQVYSJCCYALSBS-UHFFFAOYSA-N 1 1 358.445 3.388 20 30 FGEDMO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C1(C)C ZINC000173521172 495570917 /nfs/dbraw/zinc/57/09/17/495570917.db2.gz RMYDQWBFLIZQPQ-IRXDYDNUSA-N 1 1 361.511 3.376 20 30 FGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1(C)C ZINC000173521172 495570924 /nfs/dbraw/zinc/57/09/24/495570924.db2.gz RMYDQWBFLIZQPQ-IRXDYDNUSA-N 1 1 361.511 3.376 20 30 FGEDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C1(C)C ZINC000173521201 495571089 /nfs/dbraw/zinc/57/10/89/495571089.db2.gz RMYDQWBFLIZQPQ-SJORKVTESA-N 1 1 361.511 3.376 20 30 FGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1(C)C ZINC000173521201 495571095 /nfs/dbraw/zinc/57/10/95/495571095.db2.gz RMYDQWBFLIZQPQ-SJORKVTESA-N 1 1 361.511 3.376 20 30 FGEDMO COc1cc(C#N)ccc1OCCN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185487576 495595055 /nfs/dbraw/zinc/59/50/55/495595055.db2.gz VTXSWRDDJCRTJB-INIZCTEOSA-N 1 1 371.506 3.386 20 30 FGEDMO CCOC(=O)c1sc([C@@H](C)[NH2+]CCOc2ccccc2C#N)nc1C ZINC000580603115 505794440 /nfs/dbraw/zinc/79/44/40/505794440.db2.gz WRSQUPLYKAYPPE-CYBMUJFWSA-N 1 1 359.451 3.230 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000159036465 495642790 /nfs/dbraw/zinc/64/27/90/495642790.db2.gz UYSOSWDODZUGBB-UHFFFAOYSA-N 1 1 362.477 3.475 20 30 FGEDMO COC(=O)[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000185672165 495673125 /nfs/dbraw/zinc/67/31/25/495673125.db2.gz XWUCCXKFVFRZEY-CVAIRZPRSA-N 1 1 355.482 3.015 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000179668567 495683770 /nfs/dbraw/zinc/68/37/70/495683770.db2.gz WGXBOQXOSFBZBV-UHFFFAOYSA-N 1 1 360.866 3.264 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(C#N)cc1 ZINC000159259445 495694883 /nfs/dbraw/zinc/69/48/83/495694883.db2.gz JQLPLNCZLCQRGQ-UHFFFAOYSA-N 1 1 367.497 3.440 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1C)Cc1ccc(C#N)cc1 ZINC000159259445 495694889 /nfs/dbraw/zinc/69/48/89/495694889.db2.gz JQLPLNCZLCQRGQ-UHFFFAOYSA-N 1 1 367.497 3.440 20 30 FGEDMO CC[NH+](CC)CCCC1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000182789143 495703794 /nfs/dbraw/zinc/70/37/94/495703794.db2.gz QDKQOPMOTKKVMJ-UHFFFAOYSA-N 1 1 362.562 3.163 20 30 FGEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000574558644 505801027 /nfs/dbraw/zinc/80/10/27/505801027.db2.gz LCZPETZIXIBNGO-RDJZCZTQSA-N 1 1 356.388 3.362 20 30 FGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(N2CCCS2(=O)=O)c1 ZINC000151144713 495752622 /nfs/dbraw/zinc/75/26/22/495752622.db2.gz FDNGDXASBMNTQA-CQSZACIVSA-N 1 1 373.453 3.088 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4)C3)n2c1 ZINC000179840748 495755174 /nfs/dbraw/zinc/75/51/74/495755174.db2.gz XJOVNLDUQOONQM-KRWDZBQOSA-N 1 1 359.433 3.057 20 30 FGEDMO C=CCC[C@@H](NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000185879836 495762073 /nfs/dbraw/zinc/76/20/73/495762073.db2.gz YTYHZPGTHGUINK-AZUAARDMSA-N 1 1 358.530 3.019 20 30 FGEDMO CCC[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000182936754 495765868 /nfs/dbraw/zinc/76/58/68/495765868.db2.gz JOSXKEQOZMVGIH-SFTDATJTSA-N 1 1 369.509 3.188 20 30 FGEDMO CCC[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000182936754 495765871 /nfs/dbraw/zinc/76/58/71/495765871.db2.gz JOSXKEQOZMVGIH-SFTDATJTSA-N 1 1 369.509 3.188 20 30 FGEDMO C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000173995669 495781702 /nfs/dbraw/zinc/78/17/02/495781702.db2.gz MUWAOFHTUQVTAP-GOSISDBHSA-N 1 1 362.477 3.093 20 30 FGEDMO COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(C#N)c3)CC[N@H+]2C2CC2)c1 ZINC000183233159 495890584 /nfs/dbraw/zinc/89/05/84/495890584.db2.gz MSHOBZSQRBIUPU-SFTDATJTSA-N 1 1 361.445 3.275 20 30 FGEDMO CC(C)C1(C)CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000186203244 495895695 /nfs/dbraw/zinc/89/56/95/495895695.db2.gz MQOVKWJLMIKRLS-UHFFFAOYSA-N 1 1 365.481 3.441 20 30 FGEDMO C=CC[C@H](C)[C@@H](C)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000183282124 495914472 /nfs/dbraw/zinc/91/44/72/495914472.db2.gz APKQYZYEECGZLX-JKSUJKDBSA-N 1 1 363.477 3.499 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)cc1 ZINC000155311805 495915587 /nfs/dbraw/zinc/91/55/87/495915587.db2.gz CCTPBZOBVLCLLC-INIZCTEOSA-N 1 1 370.497 3.083 20 30 FGEDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)cc1 ZINC000155328078 495921471 /nfs/dbraw/zinc/92/14/71/495921471.db2.gz YKLNYVWZZRANSX-SFHVURJKSA-N 1 1 355.482 3.169 20 30 FGEDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177106015 495927475 /nfs/dbraw/zinc/92/74/75/495927475.db2.gz CEKDIBGBZPWDNV-AWEZNQCLSA-N 1 1 362.882 3.032 20 30 FGEDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177106015 495927480 /nfs/dbraw/zinc/92/74/80/495927480.db2.gz CEKDIBGBZPWDNV-AWEZNQCLSA-N 1 1 362.882 3.032 20 30 FGEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151740458 495933159 /nfs/dbraw/zinc/93/31/59/495933159.db2.gz BRTRBLRBRQQECR-SFHVURJKSA-N 1 1 370.497 3.048 20 30 FGEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccc(C#N)cc1 ZINC000171659921 495976835 /nfs/dbraw/zinc/97/68/35/495976835.db2.gz VYORYWYBFKHYKV-UHFFFAOYSA-N 1 1 373.460 3.451 20 30 FGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160785139 496042265 /nfs/dbraw/zinc/04/22/65/496042265.db2.gz QKGFAYJDYDMQRU-LJQANCHMSA-N 1 1 352.482 3.273 20 30 FGEDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc(C#N)cn2C)CC[N@H+]1Cc1ccccc1 ZINC000177423026 496056367 /nfs/dbraw/zinc/05/63/67/496056367.db2.gz TTZFLEFANZUTFN-LPHOPBHVSA-N 1 1 350.466 3.022 20 30 FGEDMO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1(O)CCCC1 ZINC000152285724 496104937 /nfs/dbraw/zinc/10/49/37/496104937.db2.gz KZHRENFLACZOMM-UHFFFAOYSA-N 1 1 361.511 3.064 20 30 FGEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1(O)CCCC1 ZINC000152285724 496104942 /nfs/dbraw/zinc/10/49/42/496104942.db2.gz KZHRENFLACZOMM-UHFFFAOYSA-N 1 1 361.511 3.064 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152337510 496121175 /nfs/dbraw/zinc/12/11/75/496121175.db2.gz VTXATVDPWYCQLJ-DLBZAZTESA-N 1 1 374.554 3.293 20 30 FGEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000152552844 496185976 /nfs/dbraw/zinc/18/59/76/496185976.db2.gz WXSIDXBMCYNUNT-ZIAGYGMSSA-N 1 1 361.511 3.062 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000574678155 505829494 /nfs/dbraw/zinc/82/94/94/505829494.db2.gz OYWGAHUEWOBEKH-AEFFLSMTSA-N 1 1 358.457 3.310 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000574678155 505829498 /nfs/dbraw/zinc/82/94/98/505829498.db2.gz OYWGAHUEWOBEKH-AEFFLSMTSA-N 1 1 358.457 3.310 20 30 FGEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000180950676 496214661 /nfs/dbraw/zinc/21/46/61/496214661.db2.gz ZVWIKSXLWZDLEN-GOSISDBHSA-N 1 1 367.474 3.040 20 30 FGEDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156375732 496228154 /nfs/dbraw/zinc/22/81/54/496228154.db2.gz MPCXVWYIZBKUPD-SFHVURJKSA-N 1 1 357.498 3.201 20 30 FGEDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000152743207 496243200 /nfs/dbraw/zinc/24/32/00/496243200.db2.gz JRUOOJXLDMTWNN-INIZCTEOSA-N 1 1 357.523 3.267 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCCn2ccnc2)c1 ZINC000181101181 496270358 /nfs/dbraw/zinc/27/03/58/496270358.db2.gz BYKRMQZTZYBJNF-LJQANCHMSA-N 1 1 367.497 3.157 20 30 FGEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000162080782 496293473 /nfs/dbraw/zinc/29/34/73/496293473.db2.gz BCFGVMBLBBXXMC-INIZCTEOSA-N 1 1 368.437 3.164 20 30 FGEDMO COc1cc(OC)cc([C@@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)c1 ZINC000156672481 496307743 /nfs/dbraw/zinc/30/77/43/496307743.db2.gz ZTUQVTOIJHHMTR-UTKZUKDTSA-N 1 1 352.434 3.098 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)c(F)c1 ZINC000178057144 496308814 /nfs/dbraw/zinc/30/88/14/496308814.db2.gz BFTVJUBWMMLBLF-QGZVFWFLSA-N 1 1 351.425 3.339 20 30 FGEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156771129 496330366 /nfs/dbraw/zinc/33/03/66/496330366.db2.gz NNLMCCUBMGFEMR-YJBOKZPZSA-N 1 1 372.465 3.349 20 30 FGEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156771129 496330370 /nfs/dbraw/zinc/33/03/70/496330370.db2.gz NNLMCCUBMGFEMR-YJBOKZPZSA-N 1 1 372.465 3.349 20 30 FGEDMO Cc1cc[nH+]c(N2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)c1 ZINC000153030555 496330907 /nfs/dbraw/zinc/33/09/07/496330907.db2.gz RJULIQAAUCTOTB-UHFFFAOYSA-N 1 1 374.404 3.045 20 30 FGEDMO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000153080113 496347013 /nfs/dbraw/zinc/34/70/13/496347013.db2.gz HCLZPLRGHNQAAB-OWCLPIDISA-N 1 1 361.511 3.255 20 30 FGEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000153080113 496347016 /nfs/dbraw/zinc/34/70/16/496347016.db2.gz HCLZPLRGHNQAAB-OWCLPIDISA-N 1 1 361.511 3.255 20 30 FGEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1O ZINC000156907420 496361416 /nfs/dbraw/zinc/36/14/16/496361416.db2.gz JTVXMYFXTWYKKN-GFCCVEGCSA-N 1 1 373.840 3.385 20 30 FGEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)ccc1O ZINC000156907420 496361422 /nfs/dbraw/zinc/36/14/22/496361422.db2.gz JTVXMYFXTWYKKN-GFCCVEGCSA-N 1 1 373.840 3.385 20 30 FGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCN2CCN(C)CC2)cc1 ZINC000162583874 496377196 /nfs/dbraw/zinc/37/71/96/496377196.db2.gz RRDKJGXSCLCXEN-QGZVFWFLSA-N 1 1 351.922 3.106 20 30 FGEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000184444308 496386104 /nfs/dbraw/zinc/38/61/04/496386104.db2.gz YXAWOXNGVDGDJZ-CQSZACIVSA-N 1 1 363.483 3.002 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157026781 496388546 /nfs/dbraw/zinc/38/85/46/496388546.db2.gz IVTYNHVWSDWYNQ-VCOUNFBDSA-N 1 1 370.541 3.026 20 30 FGEDMO C[C@H](CCNC(=O)NCc1ccc(C#N)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000175472669 496405763 /nfs/dbraw/zinc/40/57/63/496405763.db2.gz NCSCNABGSMVKED-MRXNPFEDSA-N 1 1 368.456 3.407 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)ccc1Cl ZINC000162878683 496427119 /nfs/dbraw/zinc/42/71/19/496427119.db2.gz KSSKGRUNHUVITI-CRAIPNDOSA-N 1 1 363.889 3.130 20 30 FGEDMO CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000153425968 496451726 /nfs/dbraw/zinc/45/17/26/496451726.db2.gz QQKCEKRRYBGMJT-FQEVSTJZSA-N 1 1 363.461 3.303 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000163316081 496497662 /nfs/dbraw/zinc/49/76/62/496497662.db2.gz AVKIPEPLZIHIBS-LJQANCHMSA-N 1 1 359.539 3.276 20 30 FGEDMO C[C@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181675767 496498078 /nfs/dbraw/zinc/49/80/78/496498078.db2.gz ZYCHOVXRGIPNHD-HRPDOCRFSA-N 1 1 367.493 3.371 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000157614156 496516043 /nfs/dbraw/zinc/51/60/43/496516043.db2.gz AUZNVULPEBDWSA-UHFFFAOYSA-N 1 1 351.450 3.158 20 30 FGEDMO CC[C@H]1CCCCN1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181744908 496527405 /nfs/dbraw/zinc/52/74/05/496527405.db2.gz QPARKVKJRLSUPL-QFIPXVFZSA-N 1 1 354.542 3.377 20 30 FGEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC000157721896 496538204 /nfs/dbraw/zinc/53/82/04/496538204.db2.gz RUBGAHKZJLJGAT-SFHVURJKSA-N 1 1 351.425 3.231 20 30 FGEDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000173114955 496556627 /nfs/dbraw/zinc/55/66/27/496556627.db2.gz UISIAWMHGOJSNZ-HNNXBMFYSA-N 1 1 364.515 3.028 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000153766349 496572132 /nfs/dbraw/zinc/57/21/32/496572132.db2.gz JNEBYGWAXWKGLC-UHFFFAOYSA-N 1 1 353.853 3.478 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000187835732 496589152 /nfs/dbraw/zinc/58/91/52/496589152.db2.gz AXDXNEVITVURJS-KRWDZBQOSA-N 1 1 371.525 3.277 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)ccc1Cl ZINC000153932335 496628675 /nfs/dbraw/zinc/62/86/75/496628675.db2.gz CMKVCRMBJMZWRS-IBGZPJMESA-N 1 1 361.873 3.008 20 30 FGEDMO COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000158158319 496640501 /nfs/dbraw/zinc/64/05/01/496640501.db2.gz PTYKTFPPQNPAAK-UHFFFAOYSA-N 1 1 367.449 3.171 20 30 FGEDMO C[C@@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OCC#N)cc1 ZINC000182028854 496640528 /nfs/dbraw/zinc/64/05/28/496640528.db2.gz GPSRSQCJEWNLDV-CZAAIQMYSA-N 1 1 357.498 3.007 20 30 FGEDMO Cc1cc([NH+]2CCCC2)ccc1NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000580888940 505861991 /nfs/dbraw/zinc/86/19/91/505861991.db2.gz SKFWRVNLMJAHMY-UHFFFAOYSA-N 1 1 369.490 3.353 20 30 FGEDMO CC#CCCCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000185272779 496722378 /nfs/dbraw/zinc/72/23/78/496722378.db2.gz HRBJGSXVSKTLMW-UHFFFAOYSA-N 1 1 361.917 3.162 20 30 FGEDMO COc1ccccc1-c1noc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)n1 ZINC000273242557 496749714 /nfs/dbraw/zinc/74/97/14/496749714.db2.gz ANXQTGFLHIUSJH-AWEZNQCLSA-N 1 1 364.405 3.346 20 30 FGEDMO CCc1nc2c(s1)[C@H]([N@H+](C)CC(=O)NCc1ccc(C#N)cc1)CCC2 ZINC000268634301 496750784 /nfs/dbraw/zinc/75/07/84/496750784.db2.gz CDMYEFIFTAGEBA-QGZVFWFLSA-N 1 1 368.506 3.203 20 30 FGEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CC(=O)NCc1ccc(C#N)cc1)CCC2 ZINC000268634301 496750789 /nfs/dbraw/zinc/75/07/89/496750789.db2.gz CDMYEFIFTAGEBA-QGZVFWFLSA-N 1 1 368.506 3.203 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)CO)cc1OCC ZINC000569155642 505864043 /nfs/dbraw/zinc/86/40/43/505864043.db2.gz JFSVWQSVCFJIMV-LBPRGKRZSA-N 1 1 358.276 3.225 20 30 FGEDMO N#CCC[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000247046155 496761619 /nfs/dbraw/zinc/76/16/19/496761619.db2.gz ZCIDJYNDJNPOBM-NHCUHLMSSA-N 1 1 363.461 3.049 20 30 FGEDMO N#CCC[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000247046155 496761622 /nfs/dbraw/zinc/76/16/22/496761622.db2.gz ZCIDJYNDJNPOBM-NHCUHLMSSA-N 1 1 363.461 3.049 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1OC ZINC000194937410 496767037 /nfs/dbraw/zinc/76/70/37/496767037.db2.gz SYPGJUMTFKXOHC-INIZCTEOSA-N 1 1 372.469 3.089 20 30 FGEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191479839 496777384 /nfs/dbraw/zinc/77/73/84/496777384.db2.gz ORMGUBJKCHVULG-RBUKOAKNSA-N 1 1 361.489 3.472 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000247098744 496778380 /nfs/dbraw/zinc/77/83/80/496778380.db2.gz JNLDPUPUBJKZQF-VYDXJSESSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000247098744 496778383 /nfs/dbraw/zinc/77/83/83/496778383.db2.gz JNLDPUPUBJKZQF-VYDXJSESSA-N 1 1 361.511 3.112 20 30 FGEDMO Cc1cc(-c2noc([C@H](C)[NH2+]C[C@@H](O)c3ccc(C#N)cc3)n2)ccc1F ZINC000273357826 496782295 /nfs/dbraw/zinc/78/22/95/496782295.db2.gz ZKINFGHWLHJTIH-SCLBCKFNSA-N 1 1 366.396 3.440 20 30 FGEDMO Cc1cc2cn[nH]c2c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000263995433 496783029 /nfs/dbraw/zinc/78/30/29/496783029.db2.gz PLILTULASOTCIG-UHFFFAOYSA-N 1 1 373.460 3.091 20 30 FGEDMO Cc1cc2c[nH]nc2c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000263995433 496783043 /nfs/dbraw/zinc/78/30/43/496783043.db2.gz PLILTULASOTCIG-UHFFFAOYSA-N 1 1 373.460 3.091 20 30 FGEDMO Cc1cc2c[nH]nc2c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000263995433 496783049 /nfs/dbraw/zinc/78/30/49/496783049.db2.gz PLILTULASOTCIG-UHFFFAOYSA-N 1 1 373.460 3.091 20 30 FGEDMO COc1ccc(C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)cc1C#N ZINC000571997795 505865815 /nfs/dbraw/zinc/86/58/15/505865815.db2.gz ZWTCEWXZAKTLRS-UHFFFAOYSA-N 1 1 374.481 3.280 20 30 FGEDMO CCCn1ccnc1CCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191515056 496793180 /nfs/dbraw/zinc/79/31/80/496793180.db2.gz AGWCTTQFWHNKTK-UHFFFAOYSA-N 1 1 364.453 3.279 20 30 FGEDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264166838 496827198 /nfs/dbraw/zinc/82/71/98/496827198.db2.gz UOGWGHCTNNBSOU-UHFFFAOYSA-N 1 1 355.463 3.381 20 30 FGEDMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264166838 496827202 /nfs/dbraw/zinc/82/72/02/496827202.db2.gz UOGWGHCTNNBSOU-UHFFFAOYSA-N 1 1 355.463 3.381 20 30 FGEDMO CC(C)(C#N)CCCC[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000277666242 496847097 /nfs/dbraw/zinc/84/70/97/496847097.db2.gz JLULLADSCZFDOV-UHFFFAOYSA-N 1 1 354.498 3.446 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1Cl ZINC000247552209 496886763 /nfs/dbraw/zinc/88/67/63/496886763.db2.gz ZJYLWVRUFDYTOW-AEFFLSMTSA-N 1 1 374.916 3.064 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1Cl ZINC000247552961 496887390 /nfs/dbraw/zinc/88/73/90/496887390.db2.gz ZJYLWVRUFDYTOW-SJLPKXTDSA-N 1 1 374.916 3.064 20 30 FGEDMO CC(C)[N@H+](Cc1ccc(OCC#N)cc1)C[C@H](O)COc1ccccc1 ZINC000277793671 496889673 /nfs/dbraw/zinc/88/96/73/496889673.db2.gz NLFVQNGMPAUVID-IBGZPJMESA-N 1 1 354.450 3.239 20 30 FGEDMO COC(=O)[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000191835828 496905229 /nfs/dbraw/zinc/90/52/29/496905229.db2.gz YEEHRBFVFKBCNM-CJNGLKHVSA-N 1 1 355.356 3.068 20 30 FGEDMO COC(=O)[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC000191835828 496905235 /nfs/dbraw/zinc/90/52/35/496905235.db2.gz YEEHRBFVFKBCNM-CJNGLKHVSA-N 1 1 355.356 3.068 20 30 FGEDMO CC(C)Oc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C#N ZINC000269392525 496937100 /nfs/dbraw/zinc/93/71/00/496937100.db2.gz RXNPBUCOVYKGTI-AYHJJNSGSA-N 1 1 356.470 3.482 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)ccc1OC ZINC000580952994 505876027 /nfs/dbraw/zinc/87/60/27/505876027.db2.gz LDMWSJKYRXLTFK-KRWDZBQOSA-N 1 1 354.454 3.127 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269490493 496957950 /nfs/dbraw/zinc/95/79/50/496957950.db2.gz XKFLFXSKYJEAFL-MAUKXSAKSA-N 1 1 354.454 3.047 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248440094 497012450 /nfs/dbraw/zinc/01/24/50/497012450.db2.gz JGGRGIJSOGJPCP-XLIONFOSSA-N 1 1 359.514 3.187 20 30 FGEDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(F)cc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000192153812 497014627 /nfs/dbraw/zinc/01/46/27/497014627.db2.gz CXJCHIFOTQEVTB-IEBWSBKVSA-N 1 1 357.816 3.412 20 30 FGEDMO Cc1nc(C[NH+]2CCC(CNc3cc(C#N)ccc3[N+](=O)[O-])CC2)oc1C ZINC000274280182 497059042 /nfs/dbraw/zinc/05/90/42/497059042.db2.gz UYEAIITUZZEQAI-UHFFFAOYSA-N 1 1 369.425 3.395 20 30 FGEDMO Cc1ccc(NC(=O)CC(C)(C)C#N)cc1NC(=O)C[NH+]1CCCCC1 ZINC000278275109 497059637 /nfs/dbraw/zinc/05/96/37/497059637.db2.gz PKWBKKKEMOTKPK-UHFFFAOYSA-N 1 1 356.470 3.298 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000248641317 497069198 /nfs/dbraw/zinc/06/91/98/497069198.db2.gz MMBIJEOVVKKYNP-SJORKVTESA-N 1 1 358.482 3.347 20 30 FGEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000278352390 497083428 /nfs/dbraw/zinc/08/34/28/497083428.db2.gz QMNIQFSDWWURKD-OAHLLOKOSA-N 1 1 371.506 3.300 20 30 FGEDMO COc1cccc(/C=N/C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1O ZINC000192398469 497102530 /nfs/dbraw/zinc/10/25/30/497102530.db2.gz BWIKNJIMAFAXKA-MEGCXXLRSA-N 1 1 354.450 3.111 20 30 FGEDMO C=CCC[C@H](C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000189481894 497131771 /nfs/dbraw/zinc/13/17/71/497131771.db2.gz AXHOGBSIYDMEIT-SFTDATJTSA-N 1 1 357.542 3.125 20 30 FGEDMO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000569242347 505887381 /nfs/dbraw/zinc/88/73/81/505887381.db2.gz SJCGZZIIHFBVEQ-QRWLVFNGSA-N 1 1 351.425 3.491 20 30 FGEDMO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1=O ZINC000569242347 505887387 /nfs/dbraw/zinc/88/73/87/505887387.db2.gz SJCGZZIIHFBVEQ-QRWLVFNGSA-N 1 1 351.425 3.491 20 30 FGEDMO CC(C)[NH+]1CCN(C2CCN(Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000274849587 497180865 /nfs/dbraw/zinc/18/08/65/497180865.db2.gz QSLCUHKBLUDQIS-UHFFFAOYSA-N 1 1 360.933 3.202 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000274878492 497189005 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358.526 3.105 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000280044429 497629292 /nfs/dbraw/zinc/62/92/92/497629292.db2.gz HANFYTFMIDIXIO-PXNSSMCTSA-N 1 1 371.525 3.355 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000246472098 497744939 /nfs/dbraw/zinc/74/49/39/497744939.db2.gz FZRCUZVJTDBVPN-RHSMWYFYSA-N 1 1 363.527 3.216 20 30 FGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000246532427 497765757 /nfs/dbraw/zinc/76/57/57/497765757.db2.gz JMHBBSBLDIOKID-GDBMZVCRSA-N 1 1 353.401 3.499 20 30 FGEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000246532427 497765763 /nfs/dbraw/zinc/76/57/63/497765763.db2.gz JMHBBSBLDIOKID-GDBMZVCRSA-N 1 1 353.401 3.499 20 30 FGEDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000191291512 497769893 /nfs/dbraw/zinc/76/98/93/497769893.db2.gz BGSYRNIZIUTLBA-KRWDZBQOSA-N 1 1 365.481 3.239 20 30 FGEDMO 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Cc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000301192044 497991840 /nfs/dbraw/zinc/99/18/40/497991840.db2.gz SEIGAAMQUPFVFL-UHFFFAOYSA-N 1 1 350.422 3.487 20 30 FGEDMO C[C@H](NC(=O)C1CCCCC1)C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000330091375 498018101 /nfs/dbraw/zinc/01/81/01/498018101.db2.gz PVQGNDQUUYSYBF-AWEZNQCLSA-N 1 1 361.490 3.271 20 30 FGEDMO O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000330131429 498032450 /nfs/dbraw/zinc/03/24/50/498032450.db2.gz KXYBJITZWLWVQN-SJLPKXTDSA-N 1 1 359.518 3.289 20 30 FGEDMO Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)nn1 ZINC000330160099 498044314 /nfs/dbraw/zinc/04/43/14/498044314.db2.gz RPLJAZFDWMLAHH-MSOLQXFVSA-N 1 1 371.529 3.365 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCc2cccc(C#N)c2)C1 ZINC000578566135 505969473 /nfs/dbraw/zinc/96/94/73/505969473.db2.gz DNCBCMQNLRPEGU-CALCHBBNSA-N 1 1 356.514 3.156 20 30 FGEDMO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000330182251 498053404 /nfs/dbraw/zinc/05/34/04/498053404.db2.gz HDQZCTBFSDKZSC-INIZCTEOSA-N 1 1 363.465 3.473 20 30 FGEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000330201087 498059440 /nfs/dbraw/zinc/05/94/40/498059440.db2.gz XGOOGTHCBMYTJJ-ROUUACIJSA-N 1 1 371.481 3.149 20 30 FGEDMO C[C@@H]1C[C@H](C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC(=O)N1 ZINC000330248205 498077960 /nfs/dbraw/zinc/07/79/60/498077960.db2.gz FZAMLAUSUXJOLS-PVAVHDDUSA-N 1 1 361.511 3.316 20 30 FGEDMO C[C@@H]1C[C@H](C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC(=O)N1 ZINC000330248205 498077966 /nfs/dbraw/zinc/07/79/66/498077966.db2.gz FZAMLAUSUXJOLS-PVAVHDDUSA-N 1 1 361.511 3.316 20 30 FGEDMO CCc1nc2c(s1)[C@H](N(C)C([O-])=[NH+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000330266863 498086288 /nfs/dbraw/zinc/08/62/88/498086288.db2.gz HTXHBCSNWBUDJT-GXTWGEPZSA-N 1 1 359.499 3.140 20 30 FGEDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(C[C@@H](CC#N)c3ccccc3)n1)OC2 ZINC000350385394 498092029 /nfs/dbraw/zinc/09/20/29/498092029.db2.gz 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C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000607687005 506224998 /nfs/dbraw/zinc/22/49/98/506224998.db2.gz RDXPCWJVIMBENF-CQSZACIVSA-N 1 1 356.388 3.436 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000611596725 506225925 /nfs/dbraw/zinc/22/59/25/506225925.db2.gz FUDZZDJSGORQKV-UHFFFAOYSA-N 1 1 365.437 3.192 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccnc3c(Br)cccc23)C1=O ZINC000449302149 500970983 /nfs/dbraw/zinc/97/09/83/500970983.db2.gz JDXBNYNDXROINF-MRXNPFEDSA-N 1 1 374.282 3.216 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000440260700 500992424 /nfs/dbraw/zinc/99/24/24/500992424.db2.gz PANOWYGOLSYDAW-AZUAARDMSA-N 1 1 354.498 3.405 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440328566 500997278 /nfs/dbraw/zinc/99/72/78/500997278.db2.gz LKTDQNVOEBXRIK-FCHUYYIVSA-N 1 1 353.510 3.411 20 30 FGEDMO N#CCCCn1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000435886668 501041754 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501297671 /nfs/dbraw/zinc/29/76/71/501297671.db2.gz KDQGFMQVPWSMIX-URVUXULASA-N 1 1 369.509 3.028 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455441875 501303056 /nfs/dbraw/zinc/30/30/56/501303056.db2.gz FFRKOGXYMKXSNU-IHWFROFDSA-N 1 1 354.498 3.351 20 30 FGEDMO COc1ccccc1-c1noc([C@H](C)[NH2+][C@H](C)CC2(C#N)CCOCC2)n1 ZINC000602649604 506245360 /nfs/dbraw/zinc/24/53/60/506245360.db2.gz XSWQNUJJLWAJPT-CABCVRRESA-N 1 1 370.453 3.495 20 30 FGEDMO CCO[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000451535936 501316278 /nfs/dbraw/zinc/31/62/78/501316278.db2.gz ZHTNVMJXEFYZFV-ICSRJNTNSA-N 1 1 357.498 3.297 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451552425 501321644 /nfs/dbraw/zinc/32/16/44/501321644.db2.gz MWLYMBSWRPOJEE-APWZRJJASA-N 1 1 373.497 3.077 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451552425 501321646 /nfs/dbraw/zinc/32/16/46/501321646.db2.gz MWLYMBSWRPOJEE-APWZRJJASA-N 1 1 373.497 3.077 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451562328 501325388 /nfs/dbraw/zinc/32/53/88/501325388.db2.gz JHLMOTCTBALNTM-DOTOQJQBSA-N 1 1 350.528 3.398 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(C#N)c(F)c2)c1 ZINC000455533662 501326860 /nfs/dbraw/zinc/32/68/60/501326860.db2.gz GJZDFDRXBCODOQ-UHFFFAOYSA-N 1 1 354.429 3.148 20 30 FGEDMO C=CCn1c([C@@H]2CCCO2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000453427340 501329954 /nfs/dbraw/zinc/32/99/54/501329954.db2.gz VTVUBBSTZKYORG-SFHVURJKSA-N 1 1 361.534 3.264 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451699164 501354663 /nfs/dbraw/zinc/35/46/63/501354663.db2.gz ULRQQOMLDFMSMT-GKLJAUDBSA-N 1 1 361.873 3.022 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451709300 501356818 /nfs/dbraw/zinc/35/68/18/501356818.db2.gz KGGPLTXBXKVEJL-SFHVURJKSA-N 1 1 369.852 3.413 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@H+](CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC000451709300 501356820 /nfs/dbraw/zinc/35/68/20/501356820.db2.gz KGGPLTXBXKVEJL-SFHVURJKSA-N 1 1 369.852 3.413 20 30 FGEDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)C2)C1 ZINC000455771618 501382753 /nfs/dbraw/zinc/38/27/53/501382753.db2.gz NSLHMRCHLQCUSF-FQEVSTJZSA-N 1 1 356.470 3.295 20 30 FGEDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000458165554 501382828 /nfs/dbraw/zinc/38/28/28/501382828.db2.gz LCZFMYXOXJVPKM-QGZVFWFLSA-N 1 1 367.449 3.192 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455793132 501387332 /nfs/dbraw/zinc/38/73/32/501387332.db2.gz RPMWHFZEUYCGMN-UGSOOPFHSA-N 1 1 369.856 3.249 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Cc2cc(F)ccc2F)CC1)C1CC1 ZINC000451964784 501409857 /nfs/dbraw/zinc/40/98/57/501409857.db2.gz LLYBQLKIUXAVQC-FQEVSTJZSA-N 1 1 361.436 3.028 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)CN2CCCC2)c1 ZINC000452080153 501430879 /nfs/dbraw/zinc/43/08/79/501430879.db2.gz BHGWRFJMQQPUPK-UHFFFAOYSA-N 1 1 356.514 3.014 20 30 FGEDMO COC[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000452079038 501430954 /nfs/dbraw/zinc/43/09/54/501430954.db2.gz HFOUFTKYOJTQGT-LJQANCHMSA-N 1 1 357.498 3.299 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452107150 501436512 /nfs/dbraw/zinc/43/65/12/501436512.db2.gz ALIOSXCJUYYUNS-UHFFFAOYSA-N 1 1 355.404 3.415 20 30 FGEDMO COc1ccc(C#N)cc1CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107150 501436513 /nfs/dbraw/zinc/43/65/13/501436513.db2.gz ALIOSXCJUYYUNS-UHFFFAOYSA-N 1 1 355.404 3.415 20 30 FGEDMO CC(C)(C)Oc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)cc1C#N ZINC000456107358 501456233 /nfs/dbraw/zinc/45/62/33/501456233.db2.gz ICQKWTVJSUTRAF-GOSISDBHSA-N 1 1 371.481 3.317 20 30 FGEDMO COc1cccc([C@@H]2[C@@H](NC(=O)NCC(C)(C)CC#N)CC[N@H+]2C2CC2)c1 ZINC000458659322 501500916 /nfs/dbraw/zinc/50/09/16/501500916.db2.gz DEHJGHKWICZSAO-RBUKOAKNSA-N 1 1 370.497 3.212 20 30 FGEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000454731591 501617523 /nfs/dbraw/zinc/61/75/23/501617523.db2.gz ZORDWCOJHUVMAQ-ZDUSSCGKSA-N 1 1 352.385 3.108 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000459300929 501627354 /nfs/dbraw/zinc/62/73/54/501627354.db2.gz IPGOYOBEMMYNMC-UHFFFAOYSA-N 1 1 350.422 3.174 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602693456 506264750 /nfs/dbraw/zinc/26/47/50/506264750.db2.gz ROCHWPDGPIADSV-CQSZACIVSA-N 1 1 354.454 3.440 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602693456 506264754 /nfs/dbraw/zinc/26/47/54/506264754.db2.gz ROCHWPDGPIADSV-CQSZACIVSA-N 1 1 354.454 3.440 20 30 FGEDMO C[N@@H+](CCCCNC(=O)c1occc1COc1cccc(C#N)c1)C1CC1 ZINC000457204840 501665017 /nfs/dbraw/zinc/66/50/17/501665017.db2.gz PTFHEQUBTUOQPK-UHFFFAOYSA-N 1 1 367.449 3.334 20 30 FGEDMO C=C(CC)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000455054584 501679938 /nfs/dbraw/zinc/67/99/38/501679938.db2.gz QOOZUMPUCXIJKA-HXUWFJFHSA-N 1 1 371.525 3.181 20 30 FGEDMO CC(C)C[N@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cnn(C)c1 ZINC000459601751 501685020 /nfs/dbraw/zinc/68/50/20/501685020.db2.gz ZDSSPYSBVDYUBI-UHFFFAOYSA-N 1 1 371.510 3.132 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1SCC#N)Cc1cnn(C)c1 ZINC000459601751 501685022 /nfs/dbraw/zinc/68/50/22/501685022.db2.gz ZDSSPYSBVDYUBI-UHFFFAOYSA-N 1 1 371.510 3.132 20 30 FGEDMO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cncc(F)c1 ZINC000459620246 501688398 /nfs/dbraw/zinc/68/83/98/501688398.db2.gz HZOGTFFFJAZKJK-ZDUSSCGKSA-N 1 1 360.820 3.472 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459664761 501695307 /nfs/dbraw/zinc/69/53/07/501695307.db2.gz PUUHBMDPNBSNDM-HOTGVXAUSA-N 1 1 374.447 3.257 20 30 FGEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1cc[nH+]c1C ZINC000457499374 501711235 /nfs/dbraw/zinc/71/12/35/501711235.db2.gz GWBNOLNMDTXCDR-UHFFFAOYSA-N 1 1 366.234 3.308 20 30 FGEDMO C[C@H](C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)C(=O)OC(C)(C)C ZINC000459810786 501717393 /nfs/dbraw/zinc/71/73/93/501717393.db2.gz QIIVUOGATKJCBE-GFCCVEGCSA-N 1 1 365.861 3.060 20 30 FGEDMO C[C@H](C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)C(=O)OC(C)(C)C ZINC000459810786 501717395 /nfs/dbraw/zinc/71/73/95/501717395.db2.gz QIIVUOGATKJCBE-GFCCVEGCSA-N 1 1 365.861 3.060 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000467196840 501734544 /nfs/dbraw/zinc/73/45/44/501734544.db2.gz MARWJNSHNZIEFT-QUCCMNQESA-N 1 1 357.498 3.440 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000467196840 501734548 /nfs/dbraw/zinc/73/45/48/501734548.db2.gz MARWJNSHNZIEFT-QUCCMNQESA-N 1 1 357.498 3.440 20 30 FGEDMO COCC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000467271436 501754225 /nfs/dbraw/zinc/75/42/25/501754225.db2.gz NVTNRRJUMHYHLA-OALUTQOASA-N 1 1 357.498 3.460 20 30 FGEDMO C=CCC[N@H+](C)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000467292513 501760980 /nfs/dbraw/zinc/76/09/80/501760980.db2.gz CATPJCGFBIJKMD-UHFFFAOYSA-N 1 1 374.872 3.389 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3csc(C)n3)cc2)C1=O ZINC000467514912 501812947 /nfs/dbraw/zinc/81/29/47/501812947.db2.gz UJXCNVNVIQIFNH-IBGZPJMESA-N 1 1 371.506 3.249 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000467519759 501815524 /nfs/dbraw/zinc/81/55/24/501815524.db2.gz GDEZUQPASIEYCQ-QGZVFWFLSA-N 1 1 355.394 3.074 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000467519759 501815531 /nfs/dbraw/zinc/81/55/31/501815531.db2.gz GDEZUQPASIEYCQ-QGZVFWFLSA-N 1 1 355.394 3.074 20 30 FGEDMO CC(C)(C#N)c1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000474414497 501827368 /nfs/dbraw/zinc/82/73/68/501827368.db2.gz QBIUPRVHWFMIBS-UHFFFAOYSA-N 1 1 361.489 3.488 20 30 FGEDMO C[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000481653850 501841433 /nfs/dbraw/zinc/84/14/33/501841433.db2.gz CUMHPVMRMQWNIH-AWEZNQCLSA-N 1 1 352.413 3.266 20 30 FGEDMO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481924575 501920376 /nfs/dbraw/zinc/92/03/76/501920376.db2.gz PBJALGLXKRKJIU-PGRDOPGGSA-N 1 1 354.542 3.189 20 30 FGEDMO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460802529 501924140 /nfs/dbraw/zinc/92/41/40/501924140.db2.gz CDCABYJIFMPVEK-SJORKVTESA-N 1 1 364.497 3.312 20 30 FGEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460807329 501925457 /nfs/dbraw/zinc/92/54/57/501925457.db2.gz SAHLFZJTMBSLFC-DLBZAZTESA-N 1 1 356.518 3.169 20 30 FGEDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000468117446 501961891 /nfs/dbraw/zinc/96/18/91/501961891.db2.gz QPKAWZSLFCUEOU-UHFFFAOYSA-N 1 1 369.440 3.427 20 30 FGEDMO N#Cc1ccc(F)c(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000485882090 501973684 /nfs/dbraw/zinc/97/36/84/501973684.db2.gz IEYPDWYHGPCTBC-UHFFFAOYSA-N 1 1 371.322 3.146 20 30 FGEDMO CC[N@@H+](CCC(=O)NCc1cnc(C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000602763472 506289074 /nfs/dbraw/zinc/28/90/74/506289074.db2.gz LBBSMSABWIDUPS-CQSZACIVSA-N 1 1 356.495 3.413 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000475195467 502095435 /nfs/dbraw/zinc/09/54/35/502095435.db2.gz NRBZPYDEROOELZ-UHFFFAOYSA-N 1 1 369.509 3.245 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000475266849 502111760 /nfs/dbraw/zinc/11/17/60/502111760.db2.gz SOYIRWBNJIGKRC-UHFFFAOYSA-N 1 1 357.498 3.078 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000468624517 502129735 /nfs/dbraw/zinc/12/97/35/502129735.db2.gz AWRNNMTUQVZWJQ-TYNCELHUSA-N 1 1 350.260 3.003 20 30 FGEDMO CCCCOc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 ZINC000471815124 502144642 /nfs/dbraw/zinc/14/46/42/502144642.db2.gz HBXXRNUMIUXDCG-UHFFFAOYSA-N 1 1 367.497 3.101 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000482735170 502165079 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20 30 FGEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCC(C)(C)C1 ZINC000483095695 502269276 /nfs/dbraw/zinc/26/92/76/502269276.db2.gz BQDDDHIFEBUBMD-KRWDZBQOSA-N 1 1 351.454 3.193 20 30 FGEDMO COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000486865061 502287091 /nfs/dbraw/zinc/28/70/91/502287091.db2.gz KBUTXYIPLFLGLG-IBGZPJMESA-N 1 1 369.852 3.111 20 30 FGEDMO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](COC)Cc1ccccc1 ZINC000472359534 502328747 /nfs/dbraw/zinc/32/87/47/502328747.db2.gz LYMOIOLUHWCXCQ-FQEVSTJZSA-N 1 1 371.525 3.251 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(C#N)s3)c2)C[C@H](C)O1 ZINC000487021379 502334089 /nfs/dbraw/zinc/33/40/89/502334089.db2.gz MWFZPHLDPHTYDR-OKILXGFUSA-N 1 1 355.463 3.481 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(C#N)s3)c2)C[C@H](C)O1 ZINC000487021379 502334095 /nfs/dbraw/zinc/33/40/95/502334095.db2.gz MWFZPHLDPHTYDR-OKILXGFUSA-N 1 1 355.463 3.481 20 30 FGEDMO N#CCCCN1C(=O)CCc2cc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)ccc21 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ZMCOPOLHGZPLNG-QGZVFWFLSA-N 1 1 365.477 3.352 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000498240954 503140441 /nfs/dbraw/zinc/14/04/41/503140441.db2.gz ZWZLMBVENHQHMD-HUUCEWRRSA-N 1 1 367.415 3.181 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502162173 503153541 /nfs/dbraw/zinc/15/35/41/503153541.db2.gz CGUBCOLPZNCUOC-QZTJIDSGSA-N 1 1 366.509 3.477 20 30 FGEDMO CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000490322590 503153944 /nfs/dbraw/zinc/15/39/44/503153944.db2.gz OGVATQUGXZOUIR-AWEZNQCLSA-N 1 1 350.422 3.148 20 30 FGEDMO CC(=O)Nc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000490322590 503153947 /nfs/dbraw/zinc/15/39/47/503153947.db2.gz OGVATQUGXZOUIR-AWEZNQCLSA-N 1 1 350.422 3.148 20 30 FGEDMO COc1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)ccc1OC(C)C ZINC000506686929 503156738 /nfs/dbraw/zinc/15/67/38/503156738.db2.gz BESXXQMWHFJAJK-UHFFFAOYSA-N 1 1 366.465 3.071 20 30 FGEDMO 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FGEDMO COc1cc(Br)ccc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822985108 729240834 /nfs/dbraw/zinc/24/08/34/729240834.db2.gz FEFUDXBNWRAXTF-LLVKDONJSA-N 1 1 351.204 3.201 20 30 FGEDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000825886167 729398304 /nfs/dbraw/zinc/39/83/04/729398304.db2.gz MWQPVNVYCZQBEN-KRWDZBQOSA-N 1 1 352.356 3.169 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CCOCC1 ZINC000827564226 729431836 /nfs/dbraw/zinc/43/18/36/729431836.db2.gz AEBYSMPEJRHQSZ-MRXNPFEDSA-N 1 1 365.264 3.092 20 30 FGEDMO C#Cc1ccc([C@H](OC(=O)C[N@@H+](C)[C@H]2CCSC2)C(F)(F)F)cc1 ZINC000836081031 729939385 /nfs/dbraw/zinc/93/93/85/729939385.db2.gz OYGCYKAGQIDOOD-HOCLYGCPSA-N 1 1 357.397 3.252 20 30 FGEDMO C#Cc1ccc([C@H](OC(=O)C[N@H+](C)[C@H]2CCSC2)C(F)(F)F)cc1 ZINC000836081031 729939386 /nfs/dbraw/zinc/93/93/86/729939386.db2.gz OYGCYKAGQIDOOD-HOCLYGCPSA-N 1 1 357.397 3.252 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)N(Cc1ccco1)Cc1ccc(C)s1 ZINC000836489149 729957530 /nfs/dbraw/zinc/95/75/30/729957530.db2.gz WPKSFLRJECSBGO-UHFFFAOYSA-N 1 1 359.495 3.316 20 30 FGEDMO C#CCOc1ccc(C[NH2+]Cc2snc(OC)c2Br)cc1 ZINC000877568004 736685396 /nfs/dbraw/zinc/68/53/96/736685396.db2.gz DQPBHNLMXAWHPR-UHFFFAOYSA-N 1 1 367.268 3.216 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000841360425 730235209 /nfs/dbraw/zinc/23/52/09/730235209.db2.gz JJIHTHSQONDPTF-MRXNPFEDSA-N 1 1 368.250 3.472 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366375 730708038 /nfs/dbraw/zinc/70/80/38/730708038.db2.gz MRCKTIFPSRZSBI-GOSISDBHSA-N 1 1 357.841 3.206 20 30 FGEDMO Cc1[nH+]ccn1CCCOC(=O)Cc1ccc(Br)cc1C#N ZINC000845329482 730834090 /nfs/dbraw/zinc/83/40/90/730834090.db2.gz AJWBETOYMXIRKF-UHFFFAOYSA-N 1 1 362.227 3.002 20 30 FGEDMO CCOc1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc(Cl)c1O ZINC000846008677 730918062 /nfs/dbraw/zinc/91/80/62/730918062.db2.gz WYVVEAGIYXHNDA-KRWDZBQOSA-N 1 1 360.841 3.481 20 30 FGEDMO COc1ccc(NC(=S)NN=C2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000848405478 731161026 /nfs/dbraw/zinc/16/10/26/731161026.db2.gz MCIYXNNNSLEDHZ-OAHLLOKOSA-N 1 1 350.463 3.125 20 30 FGEDMO COc1ccc(NC(=S)NN=C2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000848405478 731161028 /nfs/dbraw/zinc/16/10/28/731161028.db2.gz MCIYXNNNSLEDHZ-OAHLLOKOSA-N 1 1 350.463 3.125 20 30 FGEDMO O=C1C=C(NNc2ccc(-c3ccc(Cl)s3)n[nH+]2)[C@@H]2CCCCN12 ZINC000848414166 731162045 /nfs/dbraw/zinc/16/20/45/731162045.db2.gz LZRRZMHWJPXCMP-LBPRGKRZSA-N 1 1 361.858 3.411 20 30 FGEDMO COc1ccc(Cc2noc([C@H]([NH3+])CCCCC#N)n2)c(Cl)c1OC ZINC000848626051 731189206 /nfs/dbraw/zinc/18/92/06/731189206.db2.gz NTEPTWDPZZYBFC-GFCCVEGCSA-N 1 1 364.833 3.415 20 30 FGEDMO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)ccc1C#N ZINC000851636932 731480673 /nfs/dbraw/zinc/48/06/73/731480673.db2.gz UNZZKSTYPOXDDC-KRWDZBQOSA-N 1 1 355.825 3.007 20 30 FGEDMO N#Cc1sccc1N1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000852343501 731572875 /nfs/dbraw/zinc/57/28/75/731572875.db2.gz YCCACONTSXDTQD-MRXNPFEDSA-N 1 1 353.447 3.222 20 30 FGEDMO CC(=[NH+][N-]c1nc2cccnc2s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000857220072 732113112 /nfs/dbraw/zinc/11/31/12/732113112.db2.gz ZWZGYVGIPIYCHI-UHFFFAOYSA-N 1 1 355.467 3.468 20 30 FGEDMO C#C[C@@H](CC)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000861309269 732658050 /nfs/dbraw/zinc/65/80/50/732658050.db2.gz NQNUUVUVKWXXNY-IPMKNSEASA-N 1 1 352.503 3.492 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+](C)[C@@H]2CCCCNC2=O)cc1OC ZINC000862237461 732793657 /nfs/dbraw/zinc/79/36/57/732793657.db2.gz QAUMYIFFAAKIMT-OAHLLOKOSA-N 1 1 352.862 3.014 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)cc1OC ZINC000862237461 732793658 /nfs/dbraw/zinc/79/36/58/732793658.db2.gz QAUMYIFFAAKIMT-OAHLLOKOSA-N 1 1 352.862 3.014 20 30 FGEDMO Cn1cc(N=NC2CC[N@H+](C)[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000863110292 732915644 /nfs/dbraw/zinc/91/56/44/732915644.db2.gz OAYUOBFLFDUJSS-INIZCTEOSA-N 1 1 362.275 3.417 20 30 FGEDMO Cn1cc(N=NC2CC[N@@H+](C)[C@H](c3ccc(Br)cc3)C2)cn1 ZINC000863110292 732915645 /nfs/dbraw/zinc/91/56/45/732915645.db2.gz OAYUOBFLFDUJSS-INIZCTEOSA-N 1 1 362.275 3.417 20 30 FGEDMO N#Cc1cccc(Br)c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000865871261 733285074 /nfs/dbraw/zinc/28/50/74/733285074.db2.gz AWSUSQBKKVMQRF-UHFFFAOYSA-N 1 1 364.287 3.012 20 30 FGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1 ZINC000872178612 735601578 /nfs/dbraw/zinc/60/15/78/735601578.db2.gz ZJGXGBUYIGGODO-LLVKDONJSA-N 1 1 374.750 3.412 20 30 FGEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2CN2CCCC2=O)c1 ZINC000876925762 736163138 /nfs/dbraw/zinc/16/31/38/736163138.db2.gz PLRATUDMNTVGFF-UHFFFAOYSA-N 1 1 354.841 3.019 20 30 FGEDMO CCOc1c(OC)cc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1OC ZINC000876989443 736171503 /nfs/dbraw/zinc/17/15/03/736171503.db2.gz ZDEOMLSHAICLIW-UHFFFAOYSA-N 1 1 361.829 3.312 20 30 FGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000877035918 736178871 /nfs/dbraw/zinc/17/88/71/736178871.db2.gz BLAUWGOPYVTEMS-LSDHHAIUSA-N 1 1 369.774 3.231 20 30 FGEDMO N#Cc1ccc(C2([NH2+]Cc3cc(C#N)cnc3Cl)CCOCC2)cc1 ZINC000877658332 736700871 /nfs/dbraw/zinc/70/08/71/736700871.db2.gz XKKXIPOKDGKFML-UHFFFAOYSA-N 1 1 352.825 3.274 20 30 FGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000878005318 736755707 /nfs/dbraw/zinc/75/57/07/736755707.db2.gz NDZHHRPXYRSIET-CQSZACIVSA-N 1 1 364.243 3.253 20 30 FGEDMO Cc1csc([C@H]2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)n1 ZINC000880011944 737100523 /nfs/dbraw/zinc/10/05/23/737100523.db2.gz VHNNJHOHLHAAJN-HNNXBMFYSA-N 1 1 351.435 3.363 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(C(F)(F)F)nc1 ZINC000880099629 737119937 /nfs/dbraw/zinc/11/99/37/737119937.db2.gz SOZDAKNCPVXKLW-SECBINFHSA-N 1 1 354.357 3.323 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@H](c3nccs3)C1)CCC2 ZINC000880318629 737153635 /nfs/dbraw/zinc/15/36/35/737153635.db2.gz IZLDKDABUBPTHA-LBPRGKRZSA-N 1 1 372.519 3.383 20 30 FGEDMO C#CCC1(O)CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000880477839 737178859 /nfs/dbraw/zinc/17/88/59/737178859.db2.gz WIOCQEUWVPUAMB-ZDUSSCGKSA-N 1 1 369.292 3.021 20 30 FGEDMO N#Cc1cscc1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882397576 737451150 /nfs/dbraw/zinc/45/11/50/737451150.db2.gz USYCVAAFPSUGNU-KRWDZBQOSA-N 1 1 352.463 3.156 20 30 FGEDMO F[C@H]1CC2(CC[C@H]1[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)OCCO2 ZINC000892074721 739962597 /nfs/dbraw/zinc/96/25/97/739962597.db2.gz FWZPHVLYZAAPMH-VHSXEESVSA-N 1 1 365.289 3.437 20 30 FGEDMO F[C@H]1CC2(CC[C@H]1[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)OCCO2 ZINC000892074721 739962598 /nfs/dbraw/zinc/96/25/98/739962598.db2.gz FWZPHVLYZAAPMH-VHSXEESVSA-N 1 1 365.289 3.437 20 30 FGEDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1csc(C#N)c1)C1CCOCC1 ZINC000895074235 742372063 /nfs/dbraw/zinc/37/20/63/742372063.db2.gz MBMPZNKCGIWTGC-UHFFFAOYSA-N 1 1 350.484 3.333 20 30 FGEDMO C=CCC1(O)CC[NH+](Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000895834596 742459260 /nfs/dbraw/zinc/45/92/60/742459260.db2.gz NXHULBPPUQBCDB-UHFFFAOYSA-N 1 1 370.287 3.456 20 30 FGEDMO CN(Cc1cc(C#N)cs1)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000895899841 742467591 /nfs/dbraw/zinc/46/75/91/742467591.db2.gz QUGPOJHRZAVOOW-QGZVFWFLSA-N 1 1 354.479 3.036 20 30 FGEDMO C[N@@H+](Cc1cn(Cc2cc(C#N)ccc2Br)nn1)C(C)(C)C ZINC000905807664 744057879 /nfs/dbraw/zinc/05/78/79/744057879.db2.gz PTLJXDORVHGIIN-UHFFFAOYSA-N 1 1 362.275 3.191 20 30 FGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C(C)(C)C1 ZINC000940753612 762160029 /nfs/dbraw/zinc/16/00/29/762160029.db2.gz NWJVYSZALGBTIP-BBWFWOEESA-N 1 1 356.938 3.407 20 30 FGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(C)C)C(C)(C)C1 ZINC000940753612 762160035 /nfs/dbraw/zinc/16/00/35/762160035.db2.gz NWJVYSZALGBTIP-BBWFWOEESA-N 1 1 356.938 3.407 20 30 FGEDMO C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3CCCC[C@H]13)CCO2 ZINC000949151158 762369498 /nfs/dbraw/zinc/36/94/98/762369498.db2.gz JHQDESQQXYYVLE-OKZBNKHCSA-N 1 1 366.933 3.259 20 30 FGEDMO Cc1ccc(C)c(NC(=S)N[NH+]=Cc2ccc(N(C)CCO)cc2)c1 ZINC000915912865 758003587 /nfs/dbraw/zinc/00/35/87/758003587.db2.gz ZRNUTHWAWPKDQD-UHFFFAOYSA-N 1 1 356.495 3.052 20 30 FGEDMO CCc1c(C(O)=CONC(=[NH2+])c2ccc(Cl)cc2)[nH]c(C)c1C(C)=O ZINC000920399515 758549198 /nfs/dbraw/zinc/54/91/98/758549198.db2.gz UKLXDCCGZZDCOZ-UHFFFAOYSA-N 1 1 361.829 3.261 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C3SCCCS3)cc2)C1 ZINC000923591472 759149959 /nfs/dbraw/zinc/14/99/59/759149959.db2.gz BRQCWAGDOGPYSV-QGZVFWFLSA-N 1 1 360.548 3.383 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C3SCCCS3)cc2)C1 ZINC000923591472 759149962 /nfs/dbraw/zinc/14/99/62/759149962.db2.gz BRQCWAGDOGPYSV-QGZVFWFLSA-N 1 1 360.548 3.383 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925142542 759453950 /nfs/dbraw/zinc/45/39/50/759453950.db2.gz OJWNGMMEDYTACM-JKSUJKDBSA-N 1 1 351.541 3.026 20 30 FGEDMO N#CC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCSCC1 ZINC000930933946 760734834 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C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCCCC1 ZINC000067716030 494623033 /nfs/dbraw/zinc/62/30/33/494623033.db2.gz GGCQJHOJENSSCA-UHFFFAOYSA-N 1 1 351.454 3.337 20 30 FGEDMO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@H+](CC)CC1 ZINC000571450577 505735604 /nfs/dbraw/zinc/73/56/04/505735604.db2.gz RVHOHAYURYQTKF-MRXNPFEDSA-N 1 1 373.476 3.275 20 30 FGEDMO Cc1cc(C)nc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000126107736 494638454 /nfs/dbraw/zinc/63/84/54/494638454.db2.gz PXUGSDZHKXWTAY-UHFFFAOYSA-N 1 1 363.465 3.310 20 30 FGEDMO Cc1cc(C)nc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000126107736 494638458 /nfs/dbraw/zinc/63/84/58/494638458.db2.gz PXUGSDZHKXWTAY-UHFFFAOYSA-N 1 1 363.465 3.310 20 30 FGEDMO CC[N@H+](CCc1nccs1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000121208098 494647307 /nfs/dbraw/zinc/64/73/07/494647307.db2.gz XIMKJQITMVRXHG-GFCCVEGCSA-N 1 1 374.535 3.457 20 30 FGEDMO CC[N@@H+](CCc1nccs1)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000121208098 494647317 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C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000025417179 494738065 /nfs/dbraw/zinc/73/80/65/494738065.db2.gz SZEBBDQZNZFNEW-UHFFFAOYSA-N 1 1 360.379 3.305 20 30 FGEDMO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000025417179 494738067 /nfs/dbraw/zinc/73/80/67/494738067.db2.gz SZEBBDQZNZFNEW-UHFFFAOYSA-N 1 1 360.379 3.305 20 30 FGEDMO CN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080664313 494760172 /nfs/dbraw/zinc/76/01/72/494760172.db2.gz UGEIXFVJXXWUFK-OAQYLSRUSA-N 1 1 362.477 3.364 20 30 FGEDMO N#Cc1ccc(F)c(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000075435014 494761487 /nfs/dbraw/zinc/76/14/87/494761487.db2.gz UVDLXGCLEYNGEV-UHFFFAOYSA-N 1 1 366.440 3.115 20 30 FGEDMO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OCCCC#N ZINC000092043580 494766373 /nfs/dbraw/zinc/76/63/73/494766373.db2.gz QIYSXMCIXAVHNP-OALUTQOASA-N 1 1 357.498 3.294 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1ccc(C#N)cc1 ZINC000047740805 494768541 /nfs/dbraw/zinc/76/85/41/494768541.db2.gz QTSFCFCCRAEYFV-UHFFFAOYSA-N 1 1 367.449 3.426 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1OC)Cc1ccc(C#N)cc1 ZINC000047740805 494768546 /nfs/dbraw/zinc/76/85/46/494768546.db2.gz QTSFCFCCRAEYFV-UHFFFAOYSA-N 1 1 367.449 3.426 20 30 FGEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccnc(Cl)c3)CC2)c1 ZINC000116402150 494773961 /nfs/dbraw/zinc/77/39/61/494773961.db2.gz XJHSOXQWIKOAAU-UHFFFAOYSA-N 1 1 354.841 3.457 20 30 FGEDMO Cn1c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc2ccccc21 ZINC000116474248 494794423 /nfs/dbraw/zinc/79/44/23/494794423.db2.gz ZQYFHJJKRDPGMY-UHFFFAOYSA-N 1 1 373.460 3.296 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026330982 494819276 /nfs/dbraw/zinc/81/92/76/494819276.db2.gz XKXDDCSUCVLUCV-LBPRGKRZSA-N 1 1 373.359 3.339 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026330982 494819279 /nfs/dbraw/zinc/81/92/79/494819279.db2.gz XKXDDCSUCVLUCV-LBPRGKRZSA-N 1 1 373.359 3.339 20 30 FGEDMO N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000132153502 494830412 /nfs/dbraw/zinc/83/04/12/494830412.db2.gz MHCHFIPGOVVOCU-FPOVZHCZSA-N 1 1 360.461 3.080 20 30 FGEDMO COc1ccc(C#N)cc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000121715300 494844930 /nfs/dbraw/zinc/84/49/30/494844930.db2.gz SOPAZEZCBXPPPH-UHFFFAOYSA-N 1 1 353.441 3.414 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000121715300 494844935 /nfs/dbraw/zinc/84/49/35/494844935.db2.gz SOPAZEZCBXPPPH-UHFFFAOYSA-N 1 1 353.441 3.414 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000121715300 494844940 /nfs/dbraw/zinc/84/49/40/494844940.db2.gz SOPAZEZCBXPPPH-UHFFFAOYSA-N 1 1 353.441 3.414 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121815614 494866754 /nfs/dbraw/zinc/86/67/54/494866754.db2.gz KPBFJNZQIXONFD-UWVAXJGDSA-N 1 1 361.486 3.002 20 30 FGEDMO CC[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000132645052 494903572 /nfs/dbraw/zinc/90/35/72/494903572.db2.gz CNSDKAQNQSQWHF-WOJBJXKFSA-N 1 1 354.498 3.354 20 30 FGEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)CC(C)(C)CN1CCOCC1 ZINC000093769595 494918916 /nfs/dbraw/zinc/91/89/16/494918916.db2.gz HFQKICAMQUNVCU-UHFFFAOYSA-N 1 1 359.514 3.159 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)ccc1OC ZINC000093870638 494929631 /nfs/dbraw/zinc/92/96/31/494929631.db2.gz DOVWRAISKTWHPZ-GOSISDBHSA-N 1 1 355.482 3.448 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000580411930 505754038 /nfs/dbraw/zinc/75/40/38/505754038.db2.gz BJMCZQVSDNPZGD-CRAIPNDOSA-N 1 1 373.522 3.399 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000580411930 505754041 /nfs/dbraw/zinc/75/40/41/505754041.db2.gz BJMCZQVSDNPZGD-CRAIPNDOSA-N 1 1 373.522 3.399 20 30 FGEDMO Cn1cc([C@@H]2C[N@@H+](CCC3(C#N)CCCCC3)CC23CCOCC3)cn1 ZINC000571529148 505755385 /nfs/dbraw/zinc/75/53/85/505755385.db2.gz ZIPCIWYCAVPMFL-IBGZPJMESA-N 1 1 356.514 3.480 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000118817052 495041471 /nfs/dbraw/zinc/04/14/71/495041471.db2.gz HNYLKDSOVSHNHB-SFHVURJKSA-N 1 1 374.529 3.037 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000111201622 495048357 /nfs/dbraw/zinc/04/83/57/495048357.db2.gz OBRRVMLAOAATGE-UHFFFAOYSA-N 1 1 358.445 3.112 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000119095397 495090738 /nfs/dbraw/zinc/09/07/38/495090738.db2.gz FEVGBOWZGKDWEP-WMLDXEAASA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000119095397 495090741 /nfs/dbraw/zinc/09/07/41/495090741.db2.gz FEVGBOWZGKDWEP-WMLDXEAASA-N 1 1 361.511 3.112 20 30 FGEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000123327384 495115160 /nfs/dbraw/zinc/11/51/60/495115160.db2.gz RGIWVLUGKLLYOX-PMACEKPBSA-N 1 1 352.482 3.301 20 30 FGEDMO CC[N@@H+](CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C1CC1 ZINC000102066407 495119112 /nfs/dbraw/zinc/11/91/12/495119112.db2.gz SYAPVKBELUNYEA-UHFFFAOYSA-N 1 1 370.375 3.105 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000119475764 495174331 /nfs/dbraw/zinc/17/43/31/495174331.db2.gz ASIZYIMSNAUAHG-CYBMUJFWSA-N 1 1 368.399 3.484 20 30 FGEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134772299 495198688 /nfs/dbraw/zinc/19/86/88/495198688.db2.gz UDRYHTHHTHXSSG-DLBZAZTESA-N 1 1 373.453 3.285 20 30 FGEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134772299 495198692 /nfs/dbraw/zinc/19/86/92/495198692.db2.gz UDRYHTHHTHXSSG-DLBZAZTESA-N 1 1 373.453 3.285 20 30 FGEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@H](CC)CN1Cc1ccc(C#N)cn1 ZINC000571595546 505768469 /nfs/dbraw/zinc/76/84/69/505768469.db2.gz UOZXEGXLZQSVEO-FGZHOGPDSA-N 1 1 374.492 3.095 20 30 FGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@H](CC)CN1Cc1ccc(C#N)cn1 ZINC000571595546 505768472 /nfs/dbraw/zinc/76/84/72/505768472.db2.gz UOZXEGXLZQSVEO-FGZHOGPDSA-N 1 1 374.492 3.095 20 30 FGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1C#N ZINC000134962081 495231342 /nfs/dbraw/zinc/23/13/42/495231342.db2.gz WDWRESNHOXKTJX-UHFFFAOYSA-N 1 1 351.450 3.035 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000103481073 495241767 /nfs/dbraw/zinc/24/17/67/495241767.db2.gz CNAWXVLONOMIEP-QGZVFWFLSA-N 1 1 366.490 3.427 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000103481073 495241773 /nfs/dbraw/zinc/24/17/73/495241773.db2.gz CNAWXVLONOMIEP-QGZVFWFLSA-N 1 1 366.490 3.427 20 30 FGEDMO N#CCCCOc1cccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000129454677 495247190 /nfs/dbraw/zinc/24/71/90/495247190.db2.gz JOJLJEPENOXODC-UHFFFAOYSA-N 1 1 355.404 3.439 20 30 FGEDMO N#CCCCOc1cccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000129454677 495247195 /nfs/dbraw/zinc/24/71/95/495247195.db2.gz JOJLJEPENOXODC-UHFFFAOYSA-N 1 1 355.404 3.439 20 30 FGEDMO COc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1C#N ZINC000135068517 495247251 /nfs/dbraw/zinc/24/72/51/495247251.db2.gz WKEDWXHHYAUQCE-SFHVURJKSA-N 1 1 369.852 3.458 20 30 FGEDMO COc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3Cl)C2=O)cc1C#N ZINC000135068517 495247255 /nfs/dbraw/zinc/24/72/55/495247255.db2.gz WKEDWXHHYAUQCE-SFHVURJKSA-N 1 1 369.852 3.458 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1C#N ZINC000135125312 495253787 /nfs/dbraw/zinc/25/37/87/495253787.db2.gz PGMDLXWSIUKXMV-SFHVURJKSA-N 1 1 363.461 3.209 20 30 FGEDMO Cc1[nH+]c(N2CCOCC2)ccc1NCc1ccc(N(C)CCC#N)cc1 ZINC000119950068 495276385 /nfs/dbraw/zinc/27/63/85/495276385.db2.gz UXLJVZACBQJQIE-UHFFFAOYSA-N 1 1 365.481 3.189 20 30 FGEDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000113257092 495290278 /nfs/dbraw/zinc/29/02/78/495290278.db2.gz UMGJCKANTPDRJJ-HOTGVXAUSA-N 1 1 356.491 3.479 20 30 FGEDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000113257092 495290283 /nfs/dbraw/zinc/29/02/83/495290283.db2.gz UMGJCKANTPDRJJ-HOTGVXAUSA-N 1 1 356.491 3.479 20 30 FGEDMO C#CCOc1ccc(C[NH2+][C@H](CCSC)c2nnc3ccccn32)cc1 ZINC000113316125 495295624 /nfs/dbraw/zinc/29/56/24/495295624.db2.gz RSRUWZIJHHOKDU-GOSISDBHSA-N 1 1 366.490 3.325 20 30 FGEDMO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715243 495300057 /nfs/dbraw/zinc/30/00/57/495300057.db2.gz OZUCLRZQTPKOLO-JXFKEZNVSA-N 1 1 355.482 3.096 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715696 495300385 /nfs/dbraw/zinc/30/03/85/495300385.db2.gz BSXHPJQUCSRBBU-INIZCTEOSA-N 1 1 374.444 3.300 20 30 FGEDMO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715842 495300533 /nfs/dbraw/zinc/30/05/33/495300533.db2.gz LRLJSBVSIHVYLO-MRXNPFEDSA-N 1 1 355.482 3.239 20 30 FGEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000120114465 495310135 /nfs/dbraw/zinc/31/01/35/495310135.db2.gz VBJALBXYZLYYHL-GFCCVEGCSA-N 1 1 363.483 3.429 20 30 FGEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 ZINC000120114465 495310136 /nfs/dbraw/zinc/31/01/36/495310136.db2.gz VBJALBXYZLYYHL-GFCCVEGCSA-N 1 1 363.483 3.429 20 30 FGEDMO N#CCCn1cc(C[N@@H+]2CCOC3(CCCC3)C2)c(-c2ccncc2)n1 ZINC000580515602 505775659 /nfs/dbraw/zinc/77/56/59/505775659.db2.gz IPTIUJSUFCURIH-UHFFFAOYSA-N 1 1 351.454 3.004 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCOC3(CCCC3)C2)c(-c2ccncc2)n1 ZINC000580515602 505775663 /nfs/dbraw/zinc/77/56/63/505775663.db2.gz IPTIUJSUFCURIH-UHFFFAOYSA-N 1 1 351.454 3.004 20 30 FGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000105462872 495365128 /nfs/dbraw/zinc/36/51/28/495365128.db2.gz LDBXZERIYXRQPE-INIZCTEOSA-N 1 1 352.457 3.300 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1CC(C)C ZINC000130280211 495366802 /nfs/dbraw/zinc/36/68/02/495366802.db2.gz DFSHMCRNEDDVBG-SFHVURJKSA-N 1 1 374.529 3.462 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)CCC2CCOCC2)cc1C ZINC000120449231 495381395 /nfs/dbraw/zinc/38/13/95/495381395.db2.gz ONOORFGJONQVCW-UHFFFAOYSA-N 1 1 357.498 3.299 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000114501586 495386607 /nfs/dbraw/zinc/38/66/07/495386607.db2.gz CKFFOSWPGBMELZ-UONOGXRCSA-N 1 1 352.450 3.307 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114642645 495403003 /nfs/dbraw/zinc/40/30/03/495403003.db2.gz ABFOTVXCRQCMHB-PXNSSMCTSA-N 1 1 363.461 3.106 20 30 FGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000130726888 495435910 /nfs/dbraw/zinc/43/59/10/495435910.db2.gz XUBVVWZAFPFWJX-UXHICEINSA-N 1 1 357.498 3.176 20 30 FGEDMO C[N@@H+](Cc1ccccc1NC(=O)N1CCO[C@H](C#N)C1)C1CCCCC1 ZINC000106316926 495443940 /nfs/dbraw/zinc/44/39/40/495443940.db2.gz TUWNYSCXYSEROO-GOSISDBHSA-N 1 1 356.470 3.207 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000130817140 495450327 /nfs/dbraw/zinc/45/03/27/495450327.db2.gz WBFWSBRPCHUMKT-ICSRJNTNSA-N 1 1 369.852 3.152 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000130817140 495450332 /nfs/dbraw/zinc/45/03/32/495450332.db2.gz WBFWSBRPCHUMKT-ICSRJNTNSA-N 1 1 369.852 3.152 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)nc1 ZINC000568824918 505785280 /nfs/dbraw/zinc/78/52/80/505785280.db2.gz BFIBDBHGDWIDPZ-QGZVFWFLSA-N 1 1 370.840 3.089 20 30 FGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C12CCC2 ZINC000120946297 495490269 /nfs/dbraw/zinc/49/02/69/495490269.db2.gz YQNZKCPBDBMNDR-OALUTQOASA-N 1 1 355.482 3.213 20 30 FGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000125829722 495505250 /nfs/dbraw/zinc/50/52/50/495505250.db2.gz ZRMHUQQGWDICSL-QGZVFWFLSA-N 1 1 351.450 3.202 20 30 FGEDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115540054 495514797 /nfs/dbraw/zinc/51/47/97/495514797.db2.gz FBZIORCECALFRR-NRFANRHFSA-N 1 1 374.444 3.304 20 30 FGEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115540054 495514799 /nfs/dbraw/zinc/51/47/99/495514799.db2.gz FBZIORCECALFRR-NRFANRHFSA-N 1 1 374.444 3.304 20 30 FGEDMO N#CCCCOc1cccc(C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000158531178 495531234 /nfs/dbraw/zinc/53/12/34/495531234.db2.gz LVXHVRQGIJINFB-UHFFFAOYSA-N 1 1 351.450 3.397 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000143633388 495536702 /nfs/dbraw/zinc/53/67/02/495536702.db2.gz OHIXLARJTGARQL-IRXDYDNUSA-N 1 1 363.461 3.444 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cc(F)c(Cl)cc1Cl ZINC000182410412 495553843 /nfs/dbraw/zinc/55/38/43/495553843.db2.gz PGIHDMKVWPDALM-LLVKDONJSA-N 1 1 371.243 3.439 20 30 FGEDMO C[C@@H](Sc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000158712792 495573423 /nfs/dbraw/zinc/57/34/23/495573423.db2.gz NXAVAMPYNOCARU-VQIMIIECSA-N 1 1 365.502 3.430 20 30 FGEDMO COC(=O)c1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(F)c1 ZINC000179475509 495606775 /nfs/dbraw/zinc/60/67/75/495606775.db2.gz MKZHAQWUSZSOHP-UHFFFAOYSA-N 1 1 367.424 3.196 20 30 FGEDMO COC(=O)c1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(F)c1 ZINC000179475509 495606777 /nfs/dbraw/zinc/60/67/77/495606777.db2.gz MKZHAQWUSZSOHP-UHFFFAOYSA-N 1 1 367.424 3.196 20 30 FGEDMO C[N@H+]1CCC[C@H]2CN(C(=O)CCCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000154442361 495617274 /nfs/dbraw/zinc/61/72/74/495617274.db2.gz HNAMIZAANTXFAY-ICSRJNTNSA-N 1 1 355.482 3.050 20 30 FGEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000150743928 495619540 /nfs/dbraw/zinc/61/95/40/495619540.db2.gz KDRYAJQDMKWGAG-QGZVFWFLSA-N 1 1 351.454 3.337 20 30 FGEDMO CCOC(=O)c1sc([C@H](C)[NH2+]CCOc2ccccc2C#N)nc1C ZINC000580603116 505794065 /nfs/dbraw/zinc/79/40/65/505794065.db2.gz WRSQUPLYKAYPPE-ZDUSSCGKSA-N 1 1 359.451 3.230 20 30 FGEDMO N#CCCCOc1cccnc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000176393023 495634797 /nfs/dbraw/zinc/63/47/97/495634797.db2.gz JLOLAFRXKDWMPG-INIZCTEOSA-N 1 1 356.470 3.357 20 30 FGEDMO C=C[C@H](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000179569949 495644212 /nfs/dbraw/zinc/64/42/12/495644212.db2.gz XDDRLWMEPUMVCU-VMSMKEMKSA-N 1 1 367.537 3.116 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698649 495685899 /nfs/dbraw/zinc/68/58/99/495685899.db2.gz SITCOVZQMMCRHO-ZMSDIMECSA-N 1 1 372.513 3.338 20 30 FGEDMO C[C@@H](C#N)CNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000182787540 495702149 /nfs/dbraw/zinc/70/21/49/495702149.db2.gz FPNKAVVGZSKIHW-AWEZNQCLSA-N 1 1 368.403 3.082 20 30 FGEDMO CC(C)CCO[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182836139 495722298 /nfs/dbraw/zinc/72/22/98/495722298.db2.gz PBUPRURSJQKWIZ-VQTJNVASSA-N 1 1 355.482 3.191 20 30 FGEDMO C[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H]1[NH+]1CCOCC1 ZINC000176705817 495756267 /nfs/dbraw/zinc/75/62/67/495756267.db2.gz QLUWYJJSPYEAID-LRDDRELGSA-N 1 1 374.847 3.056 20 30 FGEDMO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000185871985 495757969 /nfs/dbraw/zinc/75/79/69/495757969.db2.gz PHMLLCPVKNVACG-KRWDZBQOSA-N 1 1 351.454 3.337 20 30 FGEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000185871985 495757977 /nfs/dbraw/zinc/75/79/77/495757977.db2.gz PHMLLCPVKNVACG-KRWDZBQOSA-N 1 1 351.454 3.337 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173951153 495760051 /nfs/dbraw/zinc/76/00/51/495760051.db2.gz JGVIACBCQFVXCT-MJGOQNOKSA-N 1 1 374.504 3.267 20 30 FGEDMO CC[N@@H+](CCc1nccs1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182931673 495761564 /nfs/dbraw/zinc/76/15/64/495761564.db2.gz TUHBBUCELXAQLB-KRWDZBQOSA-N 1 1 354.479 3.075 20 30 FGEDMO CS(=O)(=O)C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000154976249 495791694 /nfs/dbraw/zinc/79/16/94/495791694.db2.gz DHLJRDBEXJILFO-HXUWFJFHSA-N 1 1 372.490 3.245 20 30 FGEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](Nc4ccccc4)C3)C2=O)cc1 ZINC000155083710 495830007 /nfs/dbraw/zinc/83/00/07/495830007.db2.gz RVFHCTMOJWCIOP-PZJWPPBQSA-N 1 1 360.461 3.240 20 30 FGEDMO N#Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000171484269 495897416 /nfs/dbraw/zinc/89/74/16/495897416.db2.gz KZUGOAOKASWWQK-LJQANCHMSA-N 1 1 366.440 3.161 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000177171306 495958634 /nfs/dbraw/zinc/95/86/34/495958634.db2.gz HNDIEAKCIYHNIY-YOEHRIQHSA-N 1 1 365.433 3.085 20 30 FGEDMO C=C[C@@H](CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000183412417 495971850 /nfs/dbraw/zinc/97/18/50/495971850.db2.gz LYZKEHHOLWPRLU-AVRDEDQJSA-N 1 1 364.489 3.229 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)CC2(O)CCCC2)c1C#N ZINC000152047089 496031842 /nfs/dbraw/zinc/03/18/42/496031842.db2.gz XUOUUMKHCJGAIH-UHFFFAOYSA-N 1 1 372.513 3.267 20 30 FGEDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000177394272 496045461 /nfs/dbraw/zinc/04/54/61/496045461.db2.gz CQHNCHNIXBYHPC-AWEZNQCLSA-N 1 1 354.479 3.289 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)c(C#N)c1C ZINC000155809782 496075321 /nfs/dbraw/zinc/07/53/21/496075321.db2.gz QLFQUWGYCLEMRF-UHFFFAOYSA-N 1 1 353.422 3.324 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+](Cc2cccc(O)c2)CC2CC2)c(C#N)c1C ZINC000155809782 496075327 /nfs/dbraw/zinc/07/53/27/496075327.db2.gz QLFQUWGYCLEMRF-UHFFFAOYSA-N 1 1 353.422 3.324 20 30 FGEDMO N#Cc1ccc(C2(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000186620590 496077129 /nfs/dbraw/zinc/07/71/29/496077129.db2.gz WUUZBISFLJMHMD-OAQYLSRUSA-N 1 1 373.500 3.271 20 30 FGEDMO CCOCC[NH+]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000174734523 496082224 /nfs/dbraw/zinc/08/22/24/496082224.db2.gz ZGRWMSIYYCAQFZ-UHFFFAOYSA-N 1 1 362.836 3.057 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177488836 496083635 /nfs/dbraw/zinc/08/36/35/496083635.db2.gz HLIVTTNYEMMLDZ-KRWDZBQOSA-N 1 1 361.530 3.389 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccccc3)[C@H](CO)C3CC3)o2)cc1 ZINC000155963582 496119613 /nfs/dbraw/zinc/11/96/13/496119613.db2.gz PQXQFSXJJGTEMP-HXUWFJFHSA-N 1 1 374.444 3.381 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CC3)o2)cc1 ZINC000155963582 496119617 /nfs/dbraw/zinc/11/96/17/496119617.db2.gz PQXQFSXJJGTEMP-HXUWFJFHSA-N 1 1 374.444 3.381 20 30 FGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174858423 496136685 /nfs/dbraw/zinc/13/66/85/496136685.db2.gz CIIRBQAMCISGBF-VQTJNVASSA-N 1 1 353.466 3.363 20 30 FGEDMO C[C@@H]1C[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@H+]1C ZINC000174873734 496143427 /nfs/dbraw/zinc/14/34/27/496143427.db2.gz JNFZZXVNJLJKMM-SJORKVTESA-N 1 1 352.482 3.152 20 30 FGEDMO C[N@@H+](Cc1ccccc1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000172097167 496163284 /nfs/dbraw/zinc/16/32/84/496163284.db2.gz VXTCXFRRDACWKF-MRXNPFEDSA-N 1 1 364.367 3.449 20 30 FGEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000172097167 496163288 /nfs/dbraw/zinc/16/32/88/496163288.db2.gz VXTCXFRRDACWKF-MRXNPFEDSA-N 1 1 364.367 3.449 20 30 FGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCOc1cccc(C#N)c1 ZINC000177780377 496192926 /nfs/dbraw/zinc/19/29/26/496192926.db2.gz USKGXDNFMXPUIF-MOPGFXCFSA-N 1 1 355.482 3.193 20 30 FGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000172397035 496281729 /nfs/dbraw/zinc/28/17/29/496281729.db2.gz RXBNEVIXTYXINW-AWEZNQCLSA-N 1 1 355.463 3.049 20 30 FGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000172397035 496281737 /nfs/dbraw/zinc/28/17/37/496281737.db2.gz RXBNEVIXTYXINW-AWEZNQCLSA-N 1 1 355.463 3.049 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CNc1cccc(C#N)c1 ZINC000162107385 496297204 /nfs/dbraw/zinc/29/72/04/496297204.db2.gz AQWUCANAXKGRGS-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000162122753 496299488 /nfs/dbraw/zinc/29/94/88/496299488.db2.gz YIIFGIONIWFAST-FIKGOQFSSA-N 1 1 362.477 3.439 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184274421 496315225 /nfs/dbraw/zinc/31/52/25/496315225.db2.gz FHEMMHYSJHLSQJ-LSDHHAIUSA-N 1 1 372.494 3.446 20 30 FGEDMO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000156752547 496326259 /nfs/dbraw/zinc/32/62/59/496326259.db2.gz FWFLEJXANILFBI-FQEVSTJZSA-N 1 1 368.502 3.348 20 30 FGEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000156752547 496326268 /nfs/dbraw/zinc/32/62/68/496326268.db2.gz FWFLEJXANILFBI-FQEVSTJZSA-N 1 1 368.502 3.348 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[N@H+](C2CC2)CC1 ZINC000172539970 496333113 /nfs/dbraw/zinc/33/31/13/496333113.db2.gz WCSGVYNSUFTYSB-MRXNPFEDSA-N 1 1 372.538 3.047 20 30 FGEDMO C[C@@H]1[C@H](NC(=O)NCc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000578003633 505839456 /nfs/dbraw/zinc/83/94/56/505839456.db2.gz NZWHJIPDBICPHY-RDTXWAMCSA-N 1 1 354.479 3.082 20 30 FGEDMO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000153150309 496368001 /nfs/dbraw/zinc/36/80/01/496368001.db2.gz WXJRCUMZIAQCOW-HRCADAONSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000153150309 496368007 /nfs/dbraw/zinc/36/80/07/496368007.db2.gz WXJRCUMZIAQCOW-HRCADAONSA-N 1 1 361.511 3.112 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000187409261 496428971 /nfs/dbraw/zinc/42/89/71/496428971.db2.gz QPXXICRGZOQTNG-FQEVSTJZSA-N 1 1 355.869 3.375 20 30 FGEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000157260927 496440097 /nfs/dbraw/zinc/44/00/97/496440097.db2.gz ZUOPRZSZGVVKMA-HOTGVXAUSA-N 1 1 357.397 3.143 20 30 FGEDMO C[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C2(CCCCC2)C1 ZINC000178403681 496442755 /nfs/dbraw/zinc/44/27/55/496442755.db2.gz WDQRNBVGEVUXMO-UHFFFAOYSA-N 1 1 351.454 3.059 20 30 FGEDMO CC[NH+]1CCN(c2ccc(C(=O)Nc3cccc(C#N)c3C)cc2F)CC1 ZINC000178404798 496442995 /nfs/dbraw/zinc/44/29/95/496442995.db2.gz MZSJMBUILPFMGJ-UHFFFAOYSA-N 1 1 366.440 3.400 20 30 FGEDMO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181567784 496448981 /nfs/dbraw/zinc/44/89/81/496448981.db2.gz JVJVHDQOHDHRQR-RTBURBONSA-N 1 1 354.542 3.233 20 30 FGEDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000181570513 496451392 /nfs/dbraw/zinc/45/13/92/496451392.db2.gz UQHQWNSSKWJCJZ-MAUKXSAKSA-N 1 1 369.421 3.289 20 30 FGEDMO COc1cc(C#N)ccc1OCCCC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000172831594 496452318 /nfs/dbraw/zinc/45/23/18/496452318.db2.gz BMOLGHAHQRCIPR-SFHVURJKSA-N 1 1 373.497 3.059 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178545779 496493349 /nfs/dbraw/zinc/49/33/49/496493349.db2.gz MBTNAVSUJSTOHR-WOJBJXKFSA-N 1 1 362.477 3.023 20 30 FGEDMO C=CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000187584525 496498907 /nfs/dbraw/zinc/49/89/07/496498907.db2.gz KDOUMDNRMLQBAN-VXKWHMMOSA-N 1 1 364.489 3.229 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C3CCOCC3)CC2)c(C#N)c1C ZINC000153583669 496505976 /nfs/dbraw/zinc/50/59/76/496505976.db2.gz NJHWKMWXSNBZOA-AWEZNQCLSA-N 1 1 359.470 3.234 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000157621283 496516820 /nfs/dbraw/zinc/51/68/20/496516820.db2.gz LGMYHMBSGNCEKK-HNNXBMFYSA-N 1 1 371.441 3.134 20 30 FGEDMO Cc1cnc(CC[N@@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)s1 ZINC000157750064 496545781 /nfs/dbraw/zinc/54/57/81/496545781.db2.gz GIOLBPLZUXLWCE-RCDNUKIMSA-N 1 1 362.543 3.245 20 30 FGEDMO Cc1cnc(CC[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)s1 ZINC000157750064 496545788 /nfs/dbraw/zinc/54/57/88/496545788.db2.gz GIOLBPLZUXLWCE-RCDNUKIMSA-N 1 1 362.543 3.245 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000188055415 496665174 /nfs/dbraw/zinc/66/51/74/496665174.db2.gz GZSMJJJUKYLCLJ-APWZRJJASA-N 1 1 371.525 3.276 20 30 FGEDMO CCCC[N@@H+](CCCO)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000182132269 496681736 /nfs/dbraw/zinc/68/17/36/496681736.db2.gz AIZWFTGQNGUXFW-UHFFFAOYSA-N 1 1 363.527 3.312 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)NCc1cc(C#N)ccc1F)c1ccccc1Cl ZINC000173427811 496688270 /nfs/dbraw/zinc/68/82/70/496688270.db2.gz ADQZXGIBZKXJJH-GOSISDBHSA-N 1 1 374.847 3.453 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000166951858 496696072 /nfs/dbraw/zinc/69/60/72/496696072.db2.gz ZVCGJMZGBPXZBV-KRWDZBQOSA-N 1 1 350.422 3.425 20 30 FGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182212406 496708760 /nfs/dbraw/zinc/70/87/60/496708760.db2.gz GCCJMZDTAJWURF-SFHVURJKSA-N 1 1 369.421 3.118 20 30 FGEDMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000191478193 496776725 /nfs/dbraw/zinc/77/67/25/496776725.db2.gz DJTCMWAPKSHALR-MRXNPFEDSA-N 1 1 353.470 3.056 20 30 FGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000191504360 496786930 /nfs/dbraw/zinc/78/69/30/496786930.db2.gz RWZXINZBICFVJL-IBGZPJMESA-N 1 1 351.450 3.076 20 30 FGEDMO Cc1cc(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)nc(C(C)C)n1 ZINC000264084641 496808890 /nfs/dbraw/zinc/80/88/90/496808890.db2.gz DRBQJCAEDDDHHL-UHFFFAOYSA-N 1 1 365.481 3.133 20 30 FGEDMO C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC 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FGEDMO CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000329781300 497898559 /nfs/dbraw/zinc/89/85/59/497898559.db2.gz SOTIMXGYQWXUPI-XBMUEBEBSA-N 1 1 370.497 3.236 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000329781298 497898863 /nfs/dbraw/zinc/89/88/63/497898863.db2.gz SOTIMXGYQWXUPI-JLAWEPINSA-N 1 1 370.497 3.236 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[N@@H+](C)CC3(C)C)sc2C1 ZINC000299708124 497902342 /nfs/dbraw/zinc/90/23/42/497902342.db2.gz PUZDICZPNMMZPN-CQSZACIVSA-N 1 1 374.554 3.099 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCN(C)CC3(C)C)sc2C1 ZINC000299708124 497902349 /nfs/dbraw/zinc/90/23/49/497902349.db2.gz PUZDICZPNMMZPN-CQSZACIVSA-N 1 1 374.554 3.099 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCN(C)CC3(C)C)sc2C1 ZINC000299708124 497902354 /nfs/dbraw/zinc/90/23/54/497902354.db2.gz PUZDICZPNMMZPN-CQSZACIVSA-N 1 1 374.554 3.099 20 30 FGEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000280842028 497919064 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Cc1nc(C[NH+]2CCC(CNc3nnc(C)c(C)c3C#N)CC2)cs1 ZINC000301237741 498014993 /nfs/dbraw/zinc/01/49/93/498014993.db2.gz IMAIPJVRPACBKV-UHFFFAOYSA-N 1 1 356.499 3.054 20 30 FGEDMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330156613 498043876 /nfs/dbraw/zinc/04/38/76/498043876.db2.gz YUTZNWFPXWHNNQ-BWSDNOOPSA-N 1 1 357.502 3.298 20 30 FGEDMO C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000330158903 498045431 /nfs/dbraw/zinc/04/54/31/498045431.db2.gz QJGNPCMKCHRBSI-HPXCNGPASA-N 1 1 362.474 3.073 20 30 FGEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000330181741 498051868 /nfs/dbraw/zinc/05/18/68/498051868.db2.gz GVVSGDOBLUUHGQ-CYBMUJFWSA-N 1 1 365.264 3.477 20 30 FGEDMO Cc1cccc(NC2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)[nH+]1 ZINC000364642104 498064233 /nfs/dbraw/zinc/06/42/33/498064233.db2.gz PLNXKRJVVHXEMT-UHFFFAOYSA-N 1 1 360.461 3.396 20 30 FGEDMO CC(C)[C@@H]1N(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC12CCC2 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NYXYJUQYTKTPDR-MRXNPFEDSA-N 1 1 368.481 3.402 20 30 FGEDMO O=C(NC1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1)C1CC1 ZINC000330325125 498105226 /nfs/dbraw/zinc/10/52/26/498105226.db2.gz UMCNHPHPKVLQFW-MRXNPFEDSA-N 1 1 370.497 3.071 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000330461333 498136625 /nfs/dbraw/zinc/13/66/25/498136625.db2.gz RYZPSSJRKLNSGR-XJKSGUPXSA-N 1 1 364.287 3.394 20 30 FGEDMO C=CCOc1ccc(C[NH2+]Cc2cc(C)nc(N3CCCC3)n2)cc1OC ZINC000292791983 498148635 /nfs/dbraw/zinc/14/86/35/498148635.db2.gz MOPRRTGNQPVRBX-UHFFFAOYSA-N 1 1 368.481 3.248 20 30 FGEDMO C[C@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@H+](C2CC2)C1 ZINC000296684112 498152800 /nfs/dbraw/zinc/15/28/00/498152800.db2.gz ISDZFSZWVDYSNM-INIZCTEOSA-N 1 1 374.916 3.003 20 30 FGEDMO N#Cc1ccc([C@@H](O)CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285675183 498167552 /nfs/dbraw/zinc/16/75/52/498167552.db2.gz ULOXFQZPDHHFTL-XZOQPEGZSA-N 1 1 361.489 3.190 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000330713156 498179479 /nfs/dbraw/zinc/17/94/79/498179479.db2.gz RDIQUDBGIHCVLG-QRQLOZEOSA-N 1 1 357.498 3.051 20 30 FGEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000285716016 498180021 /nfs/dbraw/zinc/18/00/21/498180021.db2.gz WSBHZKLUPOUDFZ-RHSMWYFYSA-N 1 1 360.889 3.099 20 30 FGEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000285716016 498180030 /nfs/dbraw/zinc/18/00/30/498180030.db2.gz WSBHZKLUPOUDFZ-RHSMWYFYSA-N 1 1 360.889 3.099 20 30 FGEDMO CSC[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000292892313 498187022 /nfs/dbraw/zinc/18/70/22/498187022.db2.gz ZBPHCKQORAHMGT-INIZCTEOSA-N 1 1 355.511 3.434 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000293006501 498231622 /nfs/dbraw/zinc/23/16/22/498231622.db2.gz DGCWFVSOHOFSIV-CVEARBPZSA-N 1 1 361.511 3.114 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000293006501 498231627 /nfs/dbraw/zinc/23/16/27/498231627.db2.gz DGCWFVSOHOFSIV-CVEARBPZSA-N 1 1 361.511 3.114 20 30 FGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCN(c2cccc(F)c2)CC1 ZINC000360038709 498239064 /nfs/dbraw/zinc/23/90/64/498239064.db2.gz WHFREIOGODHARI-NRFANRHFSA-N 1 1 353.441 3.332 20 30 FGEDMO N#Cc1ccnc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000569722528 506001834 /nfs/dbraw/zinc/00/18/34/506001834.db2.gz QOBAVSHNEVZDGC-SFHVURJKSA-N 1 1 354.841 3.174 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(F)c(C#N)c1 ZINC000285981504 498258636 /nfs/dbraw/zinc/25/86/36/498258636.db2.gz NZQUBCHOVUBCMI-LJQANCHMSA-N 1 1 366.440 3.219 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(NC(C)=O)ccc2F)C[C@@H]1C ZINC000331153009 498263424 /nfs/dbraw/zinc/26/34/24/498263424.db2.gz UUZUDRPHWBJCCY-WFASDCNBSA-N 1 1 350.438 3.134 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000331163466 498266080 /nfs/dbraw/zinc/26/60/80/498266080.db2.gz XMJWXPVABSZCIG-TZMCWYRMSA-N 1 1 374.407 3.373 20 30 FGEDMO CC(C)Oc1c(Cl)cccc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000331162987 498266481 /nfs/dbraw/zinc/26/64/81/498266481.db2.gz GOWNARSOKLHUDA-KBPBESRZSA-N 1 1 369.893 3.060 20 30 FGEDMO CSC[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000331208586 498275767 /nfs/dbraw/zinc/27/57/67/498275767.db2.gz ZTHWESXNLFJETB-CVEARBPZSA-N 1 1 363.527 3.429 20 30 FGEDMO COc1ccccc1[C@@H](CNC(=O)N1CC(C)(C)OC(C)(C)C1)[NH+](C)C ZINC000331293838 498294689 /nfs/dbraw/zinc/29/46/89/498294689.db2.gz RBYPBWSAPVRUNQ-MRXNPFEDSA-N 1 1 363.502 3.101 20 30 FGEDMO N#Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1Cl ZINC000569768147 506011826 /nfs/dbraw/zinc/01/18/26/506011826.db2.gz RIDSDJHXNHVMIX-KRWDZBQOSA-N 1 1 355.825 3.031 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365127112 498311174 /nfs/dbraw/zinc/31/11/74/498311174.db2.gz TWSMESLVYPSPNV-ZWKOTPCHSA-N 1 1 369.509 3.220 20 30 FGEDMO N#Cc1cnc2ccccc2c1NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 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CC(C)(O)C[N@H+]1CCc2c(cccc2Nc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000302196069 498438199 /nfs/dbraw/zinc/43/81/99/498438199.db2.gz DWZHUHDRIKXYNM-UHFFFAOYSA-N 1 1 366.421 3.339 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3cc(C#N)ccc3[N+](=O)[O-])c2)CCO1 ZINC000302224177 498450659 /nfs/dbraw/zinc/45/06/59/498450659.db2.gz UOJFCNIDOGAPNR-OAHLLOKOSA-N 1 1 366.421 3.299 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3cc(C#N)ccc3[N+](=O)[O-])c2)CCO1 ZINC000302224177 498450664 /nfs/dbraw/zinc/45/06/64/498450664.db2.gz UOJFCNIDOGAPNR-OAHLLOKOSA-N 1 1 366.421 3.299 20 30 FGEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000286698551 498480144 /nfs/dbraw/zinc/48/01/44/498480144.db2.gz WGYYTNIGXAHZEG-USUYJDSWSA-N 1 1 363.461 3.093 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000578953003 506058793 /nfs/dbraw/zinc/05/87/93/506058793.db2.gz NVEFACVDGYVJCN-HXUWFJFHSA-N 1 1 373.460 3.409 20 30 FGEDMO N#Cc1ccc(CCC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000365743697 498621605 /nfs/dbraw/zinc/62/16/05/498621605.db2.gz LGGXFWPUOPHOMY-PKTZIBPZSA-N 1 1 373.500 3.471 20 30 FGEDMO Cn1c(-c2ccccc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000290627615 498624204 /nfs/dbraw/zinc/62/42/04/498624204.db2.gz CLAHUYWCMSKDDV-UHFFFAOYSA-N 1 1 372.476 3.066 20 30 FGEDMO N#Cc1cnn2c1NC[C@@H](C[N@H+]1CC[C@@](F)(c3cccc(Cl)c3)C1)C2 ZINC000572842520 506065770 /nfs/dbraw/zinc/06/57/70/506065770.db2.gz FVSYIGCFIXPYQQ-UGSOOPFHSA-N 1 1 359.836 3.021 20 30 FGEDMO N#Cc1cnn2c1NC[C@@H](C[N@@H+]1CC[C@@](F)(c3cccc(Cl)c3)C1)C2 ZINC000572842520 506065771 /nfs/dbraw/zinc/06/57/71/506065771.db2.gz FVSYIGCFIXPYQQ-UGSOOPFHSA-N 1 1 359.836 3.021 20 30 FGEDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2CC#Cc2ccc(C(F)(F)F)cc2)CN1 ZINC000363146526 498674902 /nfs/dbraw/zinc/67/49/02/498674902.db2.gz CDVHAOBDQAJUJS-DOTOQJQBSA-N 1 1 350.384 3.048 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000303459415 498676864 /nfs/dbraw/zinc/67/68/64/498676864.db2.gz LAOXVEOTIUYECG-FQEVSTJZSA-N 1 1 365.477 3.450 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000303459415 498676865 /nfs/dbraw/zinc/67/68/65/498676865.db2.gz LAOXVEOTIUYECG-FQEVSTJZSA-N 1 1 365.477 3.450 20 30 FGEDMO N#C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC12CCCC2 ZINC000294520597 498718087 /nfs/dbraw/zinc/71/80/87/498718087.db2.gz IDUFRGODOMOXSG-SIKLNZKXSA-N 1 1 351.494 3.141 20 30 FGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000298410220 498761868 /nfs/dbraw/zinc/76/18/68/498761868.db2.gz NHONDFWEPWQFTN-UHFFFAOYSA-N 1 1 371.506 3.018 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 ZINC000287460496 498764800 /nfs/dbraw/zinc/76/48/00/498764800.db2.gz RFFFOWGKBLSAOK-MSOLQXFVSA-N 1 1 352.438 3.469 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)cc1 ZINC000287460496 498764794 /nfs/dbraw/zinc/76/47/94/498764794.db2.gz RFFFOWGKBLSAOK-MSOLQXFVSA-N 1 1 352.438 3.469 20 30 FGEDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000363430951 498819371 /nfs/dbraw/zinc/81/93/71/498819371.db2.gz KHHOCYIODUDSNX-MISYRCLQSA-N 1 1 354.498 3.200 20 30 FGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[C@H](CC#N)c2ccccc2)C[C@H](C)O1 ZINC000366250582 498841722 /nfs/dbraw/zinc/84/17/22/498841722.db2.gz MAMJKOIFIKUZIG-YHELAOLJSA-N 1 1 369.509 3.174 20 30 FGEDMO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ncc1C#N ZINC000570140108 506099608 /nfs/dbraw/zinc/09/96/08/506099608.db2.gz KYGUWPLZVUHCBB-DENIHFKCSA-N 1 1 374.488 3.388 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000328694557 498904555 /nfs/dbraw/zinc/90/45/55/498904555.db2.gz KAYUWXOSCPAQBF-HNNXBMFYSA-N 1 1 359.470 3.227 20 30 FGEDMO C=CCN(C(=O)Cc1ncccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366391347 498906367 /nfs/dbraw/zinc/90/63/67/498906367.db2.gz NSSIXMVXZRCMAZ-GOSISDBHSA-N 1 1 353.441 3.052 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000579176896 506110335 /nfs/dbraw/zinc/11/03/35/506110335.db2.gz SGDPLSAFWBJHQF-KRWDZBQOSA-N 1 1 372.513 3.351 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328724178 498914983 /nfs/dbraw/zinc/91/49/83/498914983.db2.gz YKMHFDWWRUYZLC-NVXWUHKLSA-N 1 1 370.453 3.358 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328724178 498914989 /nfs/dbraw/zinc/91/49/89/498914989.db2.gz YKMHFDWWRUYZLC-NVXWUHKLSA-N 1 1 370.453 3.358 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000328733350 498918980 /nfs/dbraw/zinc/91/89/80/498918980.db2.gz HQNRYILSCKVSQX-WBVHZDCISA-N 1 1 368.399 3.352 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1cc(C#N)ccn1 ZINC000283569869 498926998 /nfs/dbraw/zinc/92/69/98/498926998.db2.gz WFZZWUQFQBHWFR-LFUKPOHLSA-N 1 1 362.477 3.182 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 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GCMROXPLJJFPNM-KZNAEPCWSA-N 1 1 372.513 3.480 20 30 FGEDMO CC1(C)C[C@@H](O)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000295203757 498942524 /nfs/dbraw/zinc/94/25/24/498942524.db2.gz CLIDZUSZNHUQCI-INIZCTEOSA-N 1 1 353.466 3.221 20 30 FGEDMO CC1(C)C[C@@H](O)CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000295203757 498942530 /nfs/dbraw/zinc/94/25/30/498942530.db2.gz CLIDZUSZNHUQCI-INIZCTEOSA-N 1 1 353.466 3.221 20 30 FGEDMO CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)c2ccccc21 ZINC000328800560 498942936 /nfs/dbraw/zinc/94/29/36/498942936.db2.gz ILHFXHPDILBWRW-ICSRJNTNSA-N 1 1 371.481 3.084 20 30 FGEDMO O=C(Cn1ncc2ccccc21)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000328810693 498945567 /nfs/dbraw/zinc/94/55/67/498945567.db2.gz MRGOFKFWDXIXKU-UHFFFAOYSA-N 1 1 356.470 3.028 20 30 FGEDMO C[C@@H](c1cccc(NCc2ccc(C#N)cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000576283022 506120462 /nfs/dbraw/zinc/12/04/62/506120462.db2.gz CPWIHCRAMKKEHZ-HNNXBMFYSA-N 1 1 366.421 3.472 20 30 FGEDMO 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PVNYMJVNCSCFKP-DEOSSOPVSA-N 1 1 373.500 3.497 20 30 FGEDMO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCc2ccccc21 ZINC000592746916 506227937 /nfs/dbraw/zinc/22/79/37/506227937.db2.gz PVNYMJVNCSCFKP-DEOSSOPVSA-N 1 1 373.500 3.497 20 30 FGEDMO C=C[C@@H](C)NC(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435511769 500987245 /nfs/dbraw/zinc/98/72/45/500987245.db2.gz QMEGAIQNRWRUFH-CRAIPNDOSA-N 1 1 353.470 3.335 20 30 FGEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000592752256 506229170 /nfs/dbraw/zinc/22/91/70/506229170.db2.gz CBNZDWQYOPRAGG-KRWDZBQOSA-N 1 1 365.481 3.007 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C)[C@H](C)O1 ZINC000446067950 501068837 /nfs/dbraw/zinc/06/88/37/501068837.db2.gz GQWSDTXGLHWEPX-MCIONIFRSA-N 1 1 361.511 3.325 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436365126 501115081 /nfs/dbraw/zinc/11/50/81/501115081.db2.gz MFKOPGSUECGIBR-QGZVFWFLSA-N 1 1 356.470 3.485 20 30 FGEDMO CCC[C@H]1CN(C(=O)c2ccc(C#N)n2C)CC[N@H+]1Cc1ccccc1 ZINC000450416855 501116804 /nfs/dbraw/zinc/11/68/04/501116804.db2.gz AXPZWOPHKMHTGA-IBGZPJMESA-N 1 1 350.466 3.023 20 30 FGEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450417563 501116994 /nfs/dbraw/zinc/11/69/94/501116994.db2.gz JVXYMZHXXRJOKS-CQSZACIVSA-N 1 1 354.385 3.489 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)c(Cl)c1 ZINC000446920206 501181427 /nfs/dbraw/zinc/18/14/27/501181427.db2.gz LKNFUNGGGJRHMC-UHFFFAOYSA-N 1 1 351.841 3.410 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000450170017 501199221 /nfs/dbraw/zinc/19/92/21/501199221.db2.gz BYNWYTSFNSSAJX-QVDMIQRCSA-N 1 1 350.466 3.081 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(c3ncc(Br)cc3C#N)CC2)c1 ZINC000450219177 501212714 /nfs/dbraw/zinc/21/27/14/501212714.db2.gz CCWUIMQSVATNKE-UHFFFAOYSA-N 1 1 371.282 3.346 20 30 FGEDMO C=CCOc1ccc(CC(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000450827517 501214624 /nfs/dbraw/zinc/21/46/24/501214624.db2.gz IHCAHLZRAZRPKL-GOSISDBHSA-N 1 1 365.477 3.343 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451021265 501239624 /nfs/dbraw/zinc/23/96/24/501239624.db2.gz CHQLJMUJVRHJSO-OAQYLSRUSA-N 1 1 350.462 3.339 20 30 FGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000451296594 501259316 /nfs/dbraw/zinc/25/93/16/501259316.db2.gz PXCCBVDFWILMKB-AWEZNQCLSA-N 1 1 364.287 3.171 20 30 FGEDMO N#Cc1cnnc(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1 ZINC000596075356 506242936 /nfs/dbraw/zinc/24/29/36/506242936.db2.gz HOJRKVAYDBZUJH-SFHVURJKSA-N 1 1 361.474 3.043 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC(F)(C#N)CC2)CCC1 ZINC000455335690 501274531 /nfs/dbraw/zinc/27/45/31/501274531.db2.gz OZGIICXMFOGXCQ-UHFFFAOYSA-N 1 1 358.461 3.078 20 30 FGEDMO COc1c(C)cnc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)c1C ZINC000451375874 501278689 /nfs/dbraw/zinc/27/86/89/501278689.db2.gz NFUGOAOBFJNYBB-UHFFFAOYSA-N 1 1 352.438 3.039 20 30 FGEDMO COc1cccc(-c2noc([C@@H](C)[NH2+][C@@H](C)CC3(C#N)CCOCC3)n2)c1 ZINC000602648272 506244138 /nfs/dbraw/zinc/24/41/38/506244138.db2.gz WNWOKCQGSGALJJ-LSDHHAIUSA-N 1 1 370.453 3.495 20 30 FGEDMO C=CCOc1ccc(C[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)cc1 ZINC000602651027 506245672 /nfs/dbraw/zinc/24/56/72/506245672.db2.gz OLQLGVLULNFOHJ-UHFFFAOYSA-N 1 1 357.454 3.230 20 30 FGEDMO CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H]1C ZINC000451545563 501319034 /nfs/dbraw/zinc/31/90/34/501319034.db2.gz RHCCJPFZZARZQV-TXPKVOOTSA-N 1 1 361.461 3.208 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OC)C(C)(C)C2)cc1 ZINC000451548764 501320086 /nfs/dbraw/zinc/32/00/86/501320086.db2.gz FRKCGKBBARIYAE-IBGZPJMESA-N 1 1 373.497 3.079 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OC)C(C)(C)C2)cc1 ZINC000451548764 501320088 /nfs/dbraw/zinc/32/00/88/501320088.db2.gz FRKCGKBBARIYAE-IBGZPJMESA-N 1 1 373.497 3.079 20 30 FGEDMO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1(C)C ZINC000451571310 501327353 /nfs/dbraw/zinc/32/73/53/501327353.db2.gz VSCDNUHRTPXMAZ-MLGOLLRUSA-N 1 1 361.511 3.182 20 30 FGEDMO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1(C)C ZINC000451571310 501327357 /nfs/dbraw/zinc/32/73/57/501327357.db2.gz VSCDNUHRTPXMAZ-MLGOLLRUSA-N 1 1 361.511 3.182 20 30 FGEDMO C=CCn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000453426857 501329579 /nfs/dbraw/zinc/32/95/79/501329579.db2.gz SZSUFACMCVGMJQ-LJQANCHMSA-N 1 1 353.514 3.282 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000455547729 501331039 /nfs/dbraw/zinc/33/10/39/501331039.db2.gz RZLLOCPUFURANU-KXBFYZLASA-N 1 1 366.440 3.160 20 30 FGEDMO C=CCn1c(COc2ccccc2F)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000453451061 501335100 /nfs/dbraw/zinc/33/51/00/501335100.db2.gz RTIXHMXBRBANDT-INIZCTEOSA-N 1 1 373.476 3.101 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451697963 501353497 /nfs/dbraw/zinc/35/34/97/501353497.db2.gz CJFCSYJORULKAM-IKGGRYGDSA-N 1 1 360.523 3.386 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451697963 501353500 /nfs/dbraw/zinc/35/35/00/501353500.db2.gz CJFCSYJORULKAM-IKGGRYGDSA-N 1 1 360.523 3.386 20 30 FGEDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455778309 501384293 /nfs/dbraw/zinc/38/42/93/501384293.db2.gz UTASXLIRKPWEQT-UHFFFAOYSA-N 1 1 355.442 3.452 20 30 FGEDMO CC(C)(C)Oc1ccc(NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000455783096 501385266 /nfs/dbraw/zinc/38/52/66/501385266.db2.gz YYCYCLCLTFAQGG-CQSZACIVSA-N 1 1 367.453 3.316 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451888948 501393395 /nfs/dbraw/zinc/39/33/95/501393395.db2.gz LRIXYDRALZXYQJ-QGZVFWFLSA-N 1 1 359.297 3.215 20 30 FGEDMO O[C@@H]([C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)F ZINC000451913903 501399794 /nfs/dbraw/zinc/39/97/94/501399794.db2.gz TWUGOEODIPXWAG-OCCSQVGLSA-N 1 1 351.290 3.302 20 30 FGEDMO O[C@@H]([C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)F ZINC000451913903 501399797 /nfs/dbraw/zinc/39/97/97/501399797.db2.gz TWUGOEODIPXWAG-OCCSQVGLSA-N 1 1 351.290 3.302 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1)C1CC1 ZINC000451953506 501406913 /nfs/dbraw/zinc/40/69/13/501406913.db2.gz UFQRYNITSOGSOZ-FQEVSTJZSA-N 1 1 361.436 3.028 20 30 FGEDMO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592806447 506251206 /nfs/dbraw/zinc/25/12/06/506251206.db2.gz CELUPKGNCDOFJQ-XJKCOSOUSA-N 1 1 353.388 3.286 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000452008020 501417726 /nfs/dbraw/zinc/41/77/26/501417726.db2.gz OMAAAHRSAIUPBF-CQSZACIVSA-N 1 1 360.502 3.215 20 30 FGEDMO C=C(C)CCNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000453872031 501419053 /nfs/dbraw/zinc/41/90/53/501419053.db2.gz AESJTPASJJVHSJ-UHFFFAOYSA-N 1 1 357.498 3.472 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](COC)CC2)cc1 ZINC000452085056 501432271 /nfs/dbraw/zinc/43/22/71/501432271.db2.gz LPUSAMZJUIKDPC-SFHVURJKSA-N 1 1 373.497 3.080 20 30 FGEDMO COc1cccc([C@H]2[C@@H](NC(=O)NCC(C)(C)CC#N)CC[N@H+]2C2CC2)c1 ZINC000458659318 501501055 /nfs/dbraw/zinc/50/10/55/501501055.db2.gz DEHJGHKWICZSAO-OALUTQOASA-N 1 1 370.497 3.212 20 30 FGEDMO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000458737915 501519281 /nfs/dbraw/zinc/51/92/81/501519281.db2.gz JHWGEAGTHIIZFU-GOSISDBHSA-N 1 1 356.514 3.478 20 30 FGEDMO C=CC(C)(C)CNC(=O)N1CCC([N@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000458990199 501572643 /nfs/dbraw/zinc/57/26/43/501572643.db2.gz QSIGUNGHAFYTTA-UHFFFAOYSA-N 1 1 367.534 3.036 20 30 FGEDMO C=CC(C)(C)CNC(=O)N1CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000458990199 501572647 /nfs/dbraw/zinc/57/26/47/501572647.db2.gz QSIGUNGHAFYTTA-UHFFFAOYSA-N 1 1 367.534 3.036 20 30 FGEDMO CN(C(=O)NCc1ccc(C#N)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459127717 501599360 /nfs/dbraw/zinc/59/93/60/501599360.db2.gz SQCGVBQOTLXTEC-IBGZPJMESA-N 1 1 366.440 3.113 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000453014385 501601465 /nfs/dbraw/zinc/60/14/65/501601465.db2.gz KKKDBXKEFSKDDS-TZIWHRDSSA-N 1 1 357.494 3.046 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459259348 501620410 /nfs/dbraw/zinc/62/04/10/501620410.db2.gz KHHURCLMAWMPJJ-LJQANCHMSA-N 1 1 356.514 3.458 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602693455 506263941 /nfs/dbraw/zinc/26/39/41/506263941.db2.gz ROCHWPDGPIADSV-AWEZNQCLSA-N 1 1 354.454 3.440 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602693455 506263949 /nfs/dbraw/zinc/26/39/49/506263949.db2.gz ROCHWPDGPIADSV-AWEZNQCLSA-N 1 1 354.454 3.440 20 30 FGEDMO CN(Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459358018 501638883 /nfs/dbraw/zinc/63/88/83/501638883.db2.gz MQABKXJQJJPVND-SFHVURJKSA-N 1 1 364.449 3.420 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000459474505 501660032 /nfs/dbraw/zinc/66/00/32/501660032.db2.gz XZDIACDXKOFSTD-MISYRCLQSA-N 1 1 363.417 3.471 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000459496841 501664016 /nfs/dbraw/zinc/66/40/16/501664016.db2.gz HRGVKXPBZVGFLA-NRFANRHFSA-N 1 1 365.433 3.284 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000459496841 501664018 /nfs/dbraw/zinc/66/40/18/501664018.db2.gz HRGVKXPBZVGFLA-NRFANRHFSA-N 1 1 365.433 3.284 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000459519474 501668616 /nfs/dbraw/zinc/66/86/16/501668616.db2.gz GCLUMMYDZDDIJA-FQEVSTJZSA-N 1 1 369.396 3.033 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000459519474 501668619 /nfs/dbraw/zinc/66/86/19/501668619.db2.gz GCLUMMYDZDDIJA-FQEVSTJZSA-N 1 1 369.396 3.033 20 30 FGEDMO Cc1nsc(NC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1C#N ZINC000459571924 501679158 /nfs/dbraw/zinc/67/91/58/501679158.db2.gz DIBVTBVVEVZLSK-AWEZNQCLSA-N 1 1 369.494 3.452 20 30 FGEDMO C[C@@H](C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C(=O)OC(C)(C)C ZINC000459803105 501716276 /nfs/dbraw/zinc/71/62/76/501716276.db2.gz JJVVXMRRAPWJQN-ZDUSSCGKSA-N 1 1 356.426 3.018 20 30 FGEDMO C[C@@H](C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C(=O)OC(C)(C)C ZINC000459803105 501716278 /nfs/dbraw/zinc/71/62/78/501716278.db2.gz JJVVXMRRAPWJQN-ZDUSSCGKSA-N 1 1 356.426 3.018 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c(C#N)c1C ZINC000459814847 501717881 /nfs/dbraw/zinc/71/78/81/501717881.db2.gz USWBITKRPAKKDU-DGCLKSJQSA-N 1 1 363.458 3.005 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c(C#N)c1C ZINC000459814847 501717882 /nfs/dbraw/zinc/71/78/82/501717882.db2.gz USWBITKRPAKKDU-DGCLKSJQSA-N 1 1 363.458 3.005 20 30 FGEDMO C=CCCCN(C)C(=O)C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460060900 501725631 /nfs/dbraw/zinc/72/56/31/501725631.db2.gz UENKCUVJQQFYPZ-UYAOXDASSA-N 1 1 371.525 3.095 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H](CO)CC(C)C)c1C#N ZINC000481412145 501767753 /nfs/dbraw/zinc/76/77/53/501767753.db2.gz FSYKFEPPBQBATF-GOSISDBHSA-N 1 1 374.529 3.369 20 30 FGEDMO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C1CCN(C)CC1 ZINC000463657025 501786933 /nfs/dbraw/zinc/78/69/33/501786933.db2.gz HAIYGFKDYMDFRN-CQSZACIVSA-N 1 1 366.431 3.182 20 30 FGEDMO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCN1C1CC[NH+](C)CC1 ZINC000463657025 501786938 /nfs/dbraw/zinc/78/69/38/501786938.db2.gz HAIYGFKDYMDFRN-CQSZACIVSA-N 1 1 366.431 3.182 20 30 FGEDMO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460389627 501812196 /nfs/dbraw/zinc/81/21/96/501812196.db2.gz UONWYMNDEKBBTG-KRWDZBQOSA-N 1 1 355.486 3.404 20 30 FGEDMO N#Cc1cc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)ccc1F ZINC000481593147 501826043 /nfs/dbraw/zinc/82/60/43/501826043.db2.gz DEBZYJFOVIXBKD-UHFFFAOYSA-N 1 1 358.442 3.151 20 30 FGEDMO N#Cc1ccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1 ZINC000485492333 501836025 /nfs/dbraw/zinc/83/60/25/501836025.db2.gz QUIUBSHZGPRKSC-UHFFFAOYSA-N 1 1 353.332 3.007 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+]C2CC(F)(c3cccc(Cl)c3)C2)C(N)=O)cc1 ZINC000481731083 501867190 /nfs/dbraw/zinc/86/71/90/501867190.db2.gz PZLIXWMBBWGUNU-HFCFLWKCSA-N 1 1 357.816 3.355 20 30 FGEDMO Cc1cc(C)n(CC[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)n1 ZINC000470992900 501884609 /nfs/dbraw/zinc/88/46/09/501884609.db2.gz JAKQJIPBSBSCDH-IBGZPJMESA-N 1 1 357.889 3.036 20 30 FGEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000471003749 501888549 /nfs/dbraw/zinc/88/85/49/501888549.db2.gz AMEGCBOFZQDLJC-RTBURBONSA-N 1 1 363.889 3.065 20 30 FGEDMO N#Cc1ccccc1OCC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000471205387 501954546 /nfs/dbraw/zinc/95/45/46/501954546.db2.gz XMUHBLXVBZGIPY-UHFFFAOYSA-N 1 1 358.445 3.307 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471241310 501965329 /nfs/dbraw/zinc/96/53/29/501965329.db2.gz FOPKHFAEQYWOAK-GOSISDBHSA-N 1 1 364.449 3.210 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+](CCO)CC1CCCCC1 ZINC000485888020 501977359 /nfs/dbraw/zinc/97/73/59/501977359.db2.gz JYXMXIPPGKKECI-UHFFFAOYSA-N 1 1 361.511 3.115 20 30 FGEDMO C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@H+]1CCCC[C@@H]1C ZINC000468249423 502004366 /nfs/dbraw/zinc/00/43/66/502004366.db2.gz IOEQYCFYITZXCV-GJZGRUSLSA-N 1 1 352.438 3.206 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000471565666 502066920 /nfs/dbraw/zinc/06/69/20/502066920.db2.gz YIOSEDIFCYBLTB-GOSISDBHSA-N 1 1 370.884 3.335 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000471565666 502066923 /nfs/dbraw/zinc/06/69/23/502066923.db2.gz YIOSEDIFCYBLTB-GOSISDBHSA-N 1 1 370.884 3.335 20 30 FGEDMO C[C@@H](CNC(=O)CSc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000482542033 502106417 /nfs/dbraw/zinc/10/64/17/502106417.db2.gz FJLSUVMURBHBCA-INIZCTEOSA-N 1 1 365.502 3.213 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475312204 502129815 /nfs/dbraw/zinc/12/98/15/502129815.db2.gz BDLIJDWZVIULHR-YLJYHZDGSA-N 1 1 363.461 3.058 20 30 FGEDMO C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C[C@H]1Cc1ccccc1 ZINC000588664800 506297510 /nfs/dbraw/zinc/29/75/10/506297510.db2.gz BMUSDKMVNXSILV-IFMALSPDSA-N 1 1 374.488 3.114 20 30 FGEDMO C[N@H+]1CCN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C[C@H]1Cc1ccccc1 ZINC000588664800 506297511 /nfs/dbraw/zinc/29/75/11/506297511.db2.gz BMUSDKMVNXSILV-IFMALSPDSA-N 1 1 374.488 3.114 20 30 FGEDMO Cc1nc(NCc2ccccc2C[NH+]2CCOCC2)c(Cl)cc1C#N ZINC000461734993 502184528 /nfs/dbraw/zinc/18/45/28/502184528.db2.gz QXJBPFUPKJDARL-UHFFFAOYSA-N 1 1 356.857 3.359 20 30 FGEDMO COc1ccc(C[N@@H+](CCO)[C@H]2CCCSC2)cc1OCCCC#N ZINC000475512048 502198227 /nfs/dbraw/zinc/19/82/27/502198227.db2.gz VAMRYIDQAIEURJ-KRWDZBQOSA-N 1 1 364.511 3.068 20 30 FGEDMO CC(C)[C@@H](CNC(=O)c1ccc(C#N)s1)[N@H+]1CCc2ccccc2C1 ZINC000486753680 502250576 /nfs/dbraw/zinc/25/05/76/502250576.db2.gz XSECHAWNIAQDTO-GOSISDBHSA-N 1 1 353.491 3.432 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)cc1F ZINC000483083592 502266222 /nfs/dbraw/zinc/26/62/22/502266222.db2.gz CEZAQJYVTOQUSE-OAHLLOKOSA-N 1 1 354.303 3.419 20 30 FGEDMO C=C(C)CN(CC)C(=O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727639 502267738 /nfs/dbraw/zinc/26/77/38/502267738.db2.gz GRSLOBYFWGKTPC-HSZRJFAPSA-N 1 1 369.553 3.399 20 30 FGEDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000472204620 502269074 /nfs/dbraw/zinc/26/90/74/502269074.db2.gz FPRBXHFALOUVIZ-UHFFFAOYSA-N 1 1 355.438 3.192 20 30 FGEDMO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000472243958 502282951 /nfs/dbraw/zinc/28/29/51/502282951.db2.gz WARCNCZNNOURJH-GOSISDBHSA-N 1 1 357.498 3.237 20 30 FGEDMO CC[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483130938 502283465 /nfs/dbraw/zinc/28/34/65/502283465.db2.gz AJGOCFOAAURQHG-ROUUACIJSA-N 1 1 353.384 3.327 20 30 FGEDMO CC[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483130938 502283472 /nfs/dbraw/zinc/28/34/72/502283472.db2.gz AJGOCFOAAURQHG-ROUUACIJSA-N 1 1 353.384 3.327 20 30 FGEDMO N#CCC1(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CC1 ZINC000602800277 506304300 /nfs/dbraw/zinc/30/43/00/506304300.db2.gz GYNOLBQRVWNIHH-INIZCTEOSA-N 1 1 355.486 3.412 20 30 FGEDMO CC(C)N(C)c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000483165708 502299649 /nfs/dbraw/zinc/29/96/49/502299649.db2.gz DANUCCLKPVVMRO-UHFFFAOYSA-N 1 1 363.509 3.116 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000472308875 502308631 /nfs/dbraw/zinc/30/86/31/502308631.db2.gz BDQVSOAHWHHQIG-QFBILLFUSA-N 1 1 350.422 3.134 20 30 FGEDMO C=CCCC1(C(=O)N(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)CC1 ZINC000476008469 502356349 /nfs/dbraw/zinc/35/63/49/502356349.db2.gz HMTWJGRCBIBPFV-PKOBYXMFSA-N 1 1 358.530 3.398 20 30 FGEDMO C=CCN(CC=C)C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483514145 502417710 /nfs/dbraw/zinc/41/77/10/502417710.db2.gz QSBIFYCVIUARFS-YADHBBJMSA-N 1 1 367.537 3.174 20 30 FGEDMO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000479952881 502430015 /nfs/dbraw/zinc/43/00/15/502430015.db2.gz BWNASRJCWPKFCA-IAGOWNOFSA-N 1 1 351.498 3.311 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462452681 502444338 /nfs/dbraw/zinc/44/43/38/502444338.db2.gz RHXGICGFRXAIPU-UHFFFAOYSA-N 1 1 371.485 3.266 20 30 FGEDMO C[C@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000469716972 502515211 /nfs/dbraw/zinc/51/52/11/502515211.db2.gz WWWOXNOYEACKDY-INIZCTEOSA-N 1 1 351.425 3.434 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](CO)c1ccsc1 ZINC000473172179 502535022 /nfs/dbraw/zinc/53/50/22/502535022.db2.gz TWXQTUKQFWMRHJ-CZUORRHYSA-N 1 1 350.509 3.036 20 30 FGEDMO C=CCCN(C)c1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000466391956 502557405 /nfs/dbraw/zinc/55/74/05/502557405.db2.gz ZDCLMMTYIJNQLA-UHFFFAOYSA-N 1 1 362.499 3.250 20 30 FGEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000477070269 502669436 /nfs/dbraw/zinc/66/94/36/502669436.db2.gz DSQOBIIXYPTGCA-PVPMGCCUSA-N 1 1 369.490 3.317 20 30 FGEDMO C=CC[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)CC1CCCCC1 ZINC000484563560 502670504 /nfs/dbraw/zinc/67/05/04/502670504.db2.gz FABBRYSDWOFUCP-NRFANRHFSA-N 1 1 356.510 3.371 20 30 FGEDMO C=CC[N@H+](CC(=O)N[C@@H](Cc1ccccc1)C(C)=O)CC1CCCCC1 ZINC000484563560 502670511 /nfs/dbraw/zinc/67/05/11/502670511.db2.gz FABBRYSDWOFUCP-NRFANRHFSA-N 1 1 356.510 3.371 20 30 FGEDMO Cc1ccc(-c2noc(CCC[N@H+]3C[C@@H](C)N(CC#N)[C@@H](C)C3)n2)cc1F ZINC000602855764 506328015 /nfs/dbraw/zinc/32/80/15/506328015.db2.gz IMWHUDALPIXBMK-IYBDPMFKSA-N 1 1 371.460 3.035 20 30 FGEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000470176285 502694988 /nfs/dbraw/zinc/69/49/88/502694988.db2.gz VIONKMXPDRPHGK-WJDWOHSUSA-N 1 1 363.421 3.087 20 30 FGEDMO C=CCn1c(SC[C@H]2CC[N@H+](C)C2)nnc1[C@H]1COc2ccccc2O1 ZINC000473798709 502709578 /nfs/dbraw/zinc/70/95/78/502709578.db2.gz OMMGEAABTDXCSN-WMLDXEAASA-N 1 1 372.494 3.020 20 30 FGEDMO Cc1cc(N[C@H]2CC23CCOCC3)c(C#N)c(N[C@H]2CC23CCOCC3)[nH+]1 ZINC000596256971 506331206 /nfs/dbraw/zinc/33/12/06/506331206.db2.gz FRUBAEQYHLEGIL-ROUUACIJSA-N 1 1 368.481 3.224 20 30 FGEDMO COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593008539 506331470 /nfs/dbraw/zinc/33/14/70/506331470.db2.gz PSVMXZUULJUALB-UHFFFAOYSA-N 1 1 353.378 3.032 20 30 FGEDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593008539 506331472 /nfs/dbraw/zinc/33/14/72/506331472.db2.gz PSVMXZUULJUALB-UHFFFAOYSA-N 1 1 353.378 3.032 20 30 FGEDMO C=C(C)CNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000488546670 502746701 /nfs/dbraw/zinc/74/67/01/502746701.db2.gz HBPNTNINZHMZOT-UHFFFAOYSA-N 1 1 354.454 3.181 20 30 FGEDMO CC[C@@H](CNC(=O)c1cccc(F)c1C#N)[N@H+]1CCc2ccccc2C1 ZINC000488631502 502769109 /nfs/dbraw/zinc/76/91/09/502769109.db2.gz SSMFTBAOFJYDFQ-KRWDZBQOSA-N 1 1 351.425 3.264 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C[C@H](C)OC ZINC000463417870 502791799 /nfs/dbraw/zinc/79/17/99/502791799.db2.gz YIBXLQQVUMNYSI-KGLIPLIRSA-N 1 1 363.527 3.430 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000467130330 502795675 /nfs/dbraw/zinc/79/56/75/502795675.db2.gz GUWWEBNCRJRBGI-JKSUJKDBSA-N 1 1 361.511 3.378 20 30 FGEDMO FC(F)(F)c1ccc(C#CC[NH+]2CCC(Oc3cnccn3)CC2)cc1 ZINC000488732500 502796284 /nfs/dbraw/zinc/79/62/84/502796284.db2.gz HUUGDVXDSVFCFL-UHFFFAOYSA-N 1 1 361.367 3.390 20 30 FGEDMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463431261 502799231 /nfs/dbraw/zinc/79/92/31/502799231.db2.gz AENVCNHIVDCIFC-UAGQMJEPSA-N 1 1 356.388 3.351 20 30 FGEDMO CC1(C)C(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1(C)C ZINC000485027008 502804950 /nfs/dbraw/zinc/80/49/50/502804950.db2.gz SAIBPJLMACJSHG-UHFFFAOYSA-N 1 1 354.498 3.210 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463444131 502808387 /nfs/dbraw/zinc/80/83/87/502808387.db2.gz QJHNODPQWBONAC-QFIPXVFZSA-N 1 1 350.462 3.384 20 30 FGEDMO C=CCn1cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000488790379 502810578 /nfs/dbraw/zinc/81/05/78/502810578.db2.gz WNVXPGZASXVBIY-WOJBJXKFSA-N 1 1 372.557 3.083 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000509133566 502829712 /nfs/dbraw/zinc/82/97/12/502829712.db2.gz AEEARDIJIHSMPA-UHFFFAOYSA-N 1 1 363.387 3.029 20 30 FGEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1 ZINC000489004450 502858135 /nfs/dbraw/zinc/85/81/35/502858135.db2.gz CIOZDGCPZKAYGN-GOSISDBHSA-N 1 1 355.413 3.405 20 30 FGEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)NCC#Cc2cccc(F)c2)[C@H](C(F)(F)F)C1 ZINC000513155248 502865756 /nfs/dbraw/zinc/86/57/56/502865756.db2.gz VJHVVFMAUMRDQQ-HZPDHXFCSA-N 1 1 370.390 3.202 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000505558994 502935884 /nfs/dbraw/zinc/93/58/84/502935884.db2.gz HRRQYTHKQLTJBV-DLBZAZTESA-N 1 1 357.498 3.304 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ncccn2)cc1Cl 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IRTOPUYCXKZHQR-APWZRJJASA-N 1 1 361.461 3.350 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000491394559 503302949 /nfs/dbraw/zinc/30/29/49/503302949.db2.gz GZMAPFWXAUUNRV-UHFFFAOYSA-N 1 1 353.378 3.289 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000491394559 503302951 /nfs/dbraw/zinc/30/29/51/503302951.db2.gz GZMAPFWXAUUNRV-UHFFFAOYSA-N 1 1 353.378 3.289 20 30 FGEDMO CC(C)O[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000593055852 506363569 /nfs/dbraw/zinc/36/35/69/506363569.db2.gz SBZCABLULGOVDY-GOSISDBHSA-N 1 1 363.889 3.476 20 30 FGEDMO CC(C)O[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000593055852 506363577 /nfs/dbraw/zinc/36/35/77/506363577.db2.gz SBZCABLULGOVDY-GOSISDBHSA-N 1 1 363.889 3.476 20 30 FGEDMO C[N@@H+](CCN1CCN(c2c(F)cc(C#N)cc2F)CC1)Cc1ccccc1 ZINC000511464568 503326240 /nfs/dbraw/zinc/32/62/40/503326240.db2.gz PYKONZIHJSITAP-UHFFFAOYSA-N 1 1 370.447 3.090 20 30 FGEDMO 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OKCOSGAWVSVXBB-UHFFFAOYSA-N 1 1 353.430 3.095 20 30 FGEDMO C[C@@H]1C[C@H]([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000828184312 601308086 /nfs/dbraw/zinc/30/80/86/601308086.db2.gz ORQCGNRSJUZAJG-HBGVWJBISA-N 1 1 363.461 3.327 20 30 FGEDMO C[C@@H]1C[C@H]([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000828184312 601308089 /nfs/dbraw/zinc/30/80/89/601308089.db2.gz ORQCGNRSJUZAJG-HBGVWJBISA-N 1 1 363.461 3.327 20 30 FGEDMO CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)CC1 ZINC000828289639 601317224 /nfs/dbraw/zinc/31/72/24/601317224.db2.gz KLTQADIWLAHCJI-AZUAARDMSA-N 1 1 355.482 3.128 20 30 FGEDMO CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)CC1 ZINC000828289639 601317227 /nfs/dbraw/zinc/31/72/27/601317227.db2.gz KLTQADIWLAHCJI-AZUAARDMSA-N 1 1 355.482 3.128 20 30 FGEDMO CC(=NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000819773958 606338989 /nfs/dbraw/zinc/33/89/89/606338989.db2.gz YJSJFTFXCYEFGN-UHFFFAOYSA-N 1 1 358.409 3.197 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822802350 606452249 /nfs/dbraw/zinc/45/22/49/606452249.db2.gz ZNHFHEGQKRTIRZ-PMACEKPBSA-N 1 1 374.448 3.017 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822802350 606452250 /nfs/dbraw/zinc/45/22/50/606452250.db2.gz ZNHFHEGQKRTIRZ-PMACEKPBSA-N 1 1 374.448 3.017 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000069245507 695948381 /nfs/dbraw/zinc/94/83/81/695948381.db2.gz FDMKDPRSNIVWLL-ZDUSSCGKSA-N 1 1 360.683 3.151 20 30 FGEDMO C=C(Br)CNC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159713091 705231264 /nfs/dbraw/zinc/23/12/64/705231264.db2.gz VAHSKZUQHXBNKE-MRXNPFEDSA-N 1 1 366.303 3.201 20 30 FGEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc3c(cc2SC)OCCO3)C1 ZINC000328986947 713827160 /nfs/dbraw/zinc/82/71/60/713827160.db2.gz HECDEVQQTSBMJT-ZDUSSCGKSA-N 1 1 365.499 3.238 20 30 FGEDMO CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000329959192 713833345 /nfs/dbraw/zinc/83/33/45/713833345.db2.gz QKSNVLFXOLWFDA-JKSUJKDBSA-N 1 1 367.559 3.298 20 30 FGEDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000619512866 714847098 /nfs/dbraw/zinc/84/70/98/714847098.db2.gz NQBHMDLSRLVKDR-YJYMSZOUSA-N 1 1 361.511 3.326 20 30 FGEDMO C=CC[C@H]1CC[N@@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000625700517 715775200 /nfs/dbraw/zinc/77/52/00/715775200.db2.gz JNEAIILNESVKGR-ZDUSSCGKSA-N 1 1 358.301 3.121 20 30 FGEDMO C=CC[C@H]1CC[N@H+](CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000625700517 715775204 /nfs/dbraw/zinc/77/52/04/715775204.db2.gz JNEAIILNESVKGR-ZDUSSCGKSA-N 1 1 358.301 3.121 20 30 FGEDMO C[C@H]1CCCC[C@@H]1NC(=S)NN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000779759140 724425326 /nfs/dbraw/zinc/42/53/26/724425326.db2.gz HWUYSNBPFVHTBQ-JSGCOSHPSA-N 1 1 364.481 3.433 20 30 FGEDMO CCOc1cc(C=NNc2cc[nH+]cc2)cc(Br)c1OC ZINC000779808905 724428300 /nfs/dbraw/zinc/42/83/00/724428300.db2.gz PSKWJGRKTDGTKG-UHFFFAOYSA-N 1 1 350.216 3.119 20 30 FGEDMO C=CCOc1c(Cl)cc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1OC ZINC000628234792 716127370 /nfs/dbraw/zinc/12/73/70/716127370.db2.gz NQBNPSFGORAHSP-NVXWUHKLSA-N 1 1 350.890 3.439 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1OC ZINC000628251379 716129533 /nfs/dbraw/zinc/12/95/33/716129533.db2.gz FCFOFWHNXZEKQQ-OAHLLOKOSA-N 1 1 364.873 3.110 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1OC ZINC000628251379 716129534 /nfs/dbraw/zinc/12/95/34/716129534.db2.gz FCFOFWHNXZEKQQ-OAHLLOKOSA-N 1 1 364.873 3.110 20 30 FGEDMO C=CCSc1ccccc1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000640522791 717758114 /nfs/dbraw/zinc/75/81/14/717758114.db2.gz VTCYWPVNTHDENB-ROUUACIJSA-N 1 1 360.523 3.194 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1OCC ZINC000648799805 718451234 /nfs/dbraw/zinc/45/12/34/718451234.db2.gz YWGTXGSMWXZCFH-IUODEOHRSA-N 1 1 370.287 3.368 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](O)[C@H]2C)cc1OCC ZINC000648799805 718451235 /nfs/dbraw/zinc/45/12/35/718451235.db2.gz YWGTXGSMWXZCFH-IUODEOHRSA-N 1 1 370.287 3.368 20 30 FGEDMO C=CCC1(NC(=O)C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CCCC1 ZINC000658728725 719821052 /nfs/dbraw/zinc/82/10/52/719821052.db2.gz CQNAMNZBMYYZRC-UHFFFAOYSA-N 1 1 363.889 3.345 20 30 FGEDMO N#Cc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(F)c1 ZINC001164697052 719896541 /nfs/dbraw/zinc/89/65/41/719896541.db2.gz IZVWWJBUEZJHTR-UHFFFAOYSA-N 1 1 372.469 3.025 20 30 FGEDMO N#Cc1ccc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726007 720370055 /nfs/dbraw/zinc/37/00/55/720370055.db2.gz OIRUKXVFRLFRHT-RTWAWAEBSA-N 1 1 355.445 3.355 20 30 FGEDMO N#Cc1cc(Cl)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909844 721547417 /nfs/dbraw/zinc/54/74/17/721547417.db2.gz SBYPCNODNAQPJW-SJLPKXTDSA-N 1 1 372.831 3.088 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)cc3C#N)C[C@@H]21 ZINC001165019524 721804211 /nfs/dbraw/zinc/80/42/11/721804211.db2.gz CQCIJMCVJKNKKG-UIAACRFSSA-N 1 1 365.456 3.224 20 30 FGEDMO Cc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1C#N ZINC001165028212 721809145 /nfs/dbraw/zinc/80/91/45/721809145.db2.gz WRBHQIAOXHDNBF-YYWHXJBOSA-N 1 1 361.493 3.394 20 30 FGEDMO C=CCCOCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677821306 721917922 /nfs/dbraw/zinc/91/79/22/721917922.db2.gz XAIXHRQNHDGAFD-KDOFPFPSSA-N 1 1 354.853 3.181 20 30 FGEDMO N#Cc1c2c(cnc1N1CC[NH+](CCOc3ccccc3)CC1)CCCC2 ZINC001165047490 721961653 /nfs/dbraw/zinc/96/16/53/721961653.db2.gz UFJBZCNZECIABP-UHFFFAOYSA-N 1 1 362.477 3.033 20 30 FGEDMO COc1cc(C#N)nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1 ZINC001164996754 722201026 /nfs/dbraw/zinc/20/10/26/722201026.db2.gz WLSXXSWRZXMHQC-NRFANRHFSA-N 1 1 366.440 3.346 20 30 FGEDMO Cc1nc(C#N)cnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995997 722206048 /nfs/dbraw/zinc/20/60/48/722206048.db2.gz RGILMJVAAOQTMT-FQEVSTJZSA-N 1 1 351.429 3.041 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc2cc(Br)ccc2o1 ZINC000729809242 722462690 /nfs/dbraw/zinc/46/26/90/722462690.db2.gz JRSXYOPROKZDCO-CQSZACIVSA-N 1 1 362.223 3.450 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc2cc(Br)ccc2o1 ZINC000729809242 722462691 /nfs/dbraw/zinc/46/26/91/722462691.db2.gz JRSXYOPROKZDCO-CQSZACIVSA-N 1 1 362.223 3.450 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F ZINC000729812424 722462824 /nfs/dbraw/zinc/46/28/24/722462824.db2.gz VGMJTKDJHGQPJI-KGLIPLIRSA-N 1 1 355.356 3.114 20 30 FGEDMO CCN(CC)C(=O)C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309503 722514825 /nfs/dbraw/zinc/51/48/25/722514825.db2.gz GYIAUGFSEWOMOZ-UHFFFAOYSA-N 1 1 363.889 3.323 20 30 FGEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310190 722514851 /nfs/dbraw/zinc/51/48/51/722514851.db2.gz SQQHHPHSXWQUAB-HNNXBMFYSA-N 1 1 363.889 3.371 20 30 FGEDMO C[C@H]1CC(=NNC(=S)Nc2cccc(Br)c2)CC[N@H+]1C ZINC000741458899 722546092 /nfs/dbraw/zinc/54/60/92/722546092.db2.gz QLGQWAGYCAROPB-JTQLQIEISA-N 1 1 355.305 3.206 20 30 FGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744423890 722576716 /nfs/dbraw/zinc/57/67/16/722576716.db2.gz PPRJINOJGGCJRG-HUUCEWRRSA-N 1 1 356.495 3.026 20 30 FGEDMO C[C@@H]1CC(=NNC(=S)Nc2cccc(Br)c2)C[N@@H+]1C1CC1 ZINC000753953995 722919904 /nfs/dbraw/zinc/91/99/04/722919904.db2.gz ATLATKWSDZPTTH-SNVBAGLBSA-N 1 1 367.316 3.348 20 30 FGEDMO C[C@@H]1CC(=NNC(=S)Nc2cccc(Br)c2)C[N@H+]1C1CC1 ZINC000753953995 722919907 /nfs/dbraw/zinc/91/99/07/722919907.db2.gz ATLATKWSDZPTTH-SNVBAGLBSA-N 1 1 367.316 3.348 20 30 FGEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790492606 723146128 /nfs/dbraw/zinc/14/61/28/723146128.db2.gz ZHPPZUBJENIJIV-GJZGRUSLSA-N 1 1 352.400 3.294 20 30 FGEDMO C#CCCN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000764234229 723400676 /nfs/dbraw/zinc/40/06/76/723400676.db2.gz PVLOZZUJJRJQOA-UHFFFAOYSA-N 1 1 355.463 3.464 20 30 FGEDMO C#CCC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000764234229 723400680 /nfs/dbraw/zinc/40/06/80/723400680.db2.gz PVLOZZUJJRJQOA-UHFFFAOYSA-N 1 1 355.463 3.464 20 30 FGEDMO C=CC[N@H+](CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)C(C)C ZINC000794277026 723504932 /nfs/dbraw/zinc/50/49/32/723504932.db2.gz ZXMYSORYQIRWFQ-UHFFFAOYSA-N 1 1 350.532 3.210 20 30 FGEDMO C=CC[N@@H+](CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)C(C)C ZINC000794277026 723504935 /nfs/dbraw/zinc/50/49/35/723504935.db2.gz ZXMYSORYQIRWFQ-UHFFFAOYSA-N 1 1 350.532 3.210 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000794659547 723538869 /nfs/dbraw/zinc/53/88/69/723538869.db2.gz FGLFFQWUBYQEQP-DNVCBOLYSA-N 1 1 359.495 3.152 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000794659547 723538872 /nfs/dbraw/zinc/53/88/72/723538872.db2.gz FGLFFQWUBYQEQP-DNVCBOLYSA-N 1 1 359.495 3.152 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000765799679 723541862 /nfs/dbraw/zinc/54/18/62/723541862.db2.gz YDQKKXVUWAHUPR-KVSKMBFKSA-N 1 1 350.890 3.332 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765799679 723541864 /nfs/dbraw/zinc/54/18/64/723541864.db2.gz YDQKKXVUWAHUPR-KVSKMBFKSA-N 1 1 350.890 3.332 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000769229330 723680040 /nfs/dbraw/zinc/68/00/40/723680040.db2.gz HUYYDDXYBROZIR-UHFFFAOYSA-N 1 1 350.846 3.014 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000769229330 723680041 /nfs/dbraw/zinc/68/00/41/723680041.db2.gz HUYYDDXYBROZIR-UHFFFAOYSA-N 1 1 350.846 3.014 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000798390281 723928774 /nfs/dbraw/zinc/92/87/74/723928774.db2.gz NNGLPMZVDPIPCT-KRWDZBQOSA-N 1 1 366.303 3.106 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190042 723997194 /nfs/dbraw/zinc/99/71/94/723997194.db2.gz JDJMAEKYKDSDQG-UKRRQHHQSA-N 1 1 354.841 3.423 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190042 723997197 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FGEDMO C[C@H](C#N)OCC[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000801911719 724344831 /nfs/dbraw/zinc/34/48/31/724344831.db2.gz AGYUIRGGRPLECQ-OAHLLOKOSA-N 1 1 355.404 3.142 20 30 FGEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000801925655 724346555 /nfs/dbraw/zinc/34/65/55/724346555.db2.gz PQSZSUDMEVBMCP-IUODEOHRSA-N 1 1 370.234 3.357 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000801925655 724346559 /nfs/dbraw/zinc/34/65/59/724346559.db2.gz PQSZSUDMEVBMCP-IUODEOHRSA-N 1 1 370.234 3.357 20 30 FGEDMO C#Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)cc1 ZINC000809616725 725252526 /nfs/dbraw/zinc/25/25/26/725252526.db2.gz WJWVWBXLCFVODZ-UHFFFAOYSA-N 1 1 367.250 3.301 20 30 FGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCn2cc(Br)cn2)cc1 ZINC000809792600 725269056 /nfs/dbraw/zinc/26/90/56/725269056.db2.gz BPIGXRLLFNMBSV-ZDUSSCGKSA-N 1 1 363.259 3.068 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCc2cc(Cl)ccc2OCC#N)C1 ZINC000811446991 725365372 /nfs/dbraw/zinc/36/53/72/725365372.db2.gz 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ZINC000815834877 727101077 /nfs/dbraw/zinc/10/10/77/727101077.db2.gz DGMGKLMYNMOTQP-CQSZACIVSA-N 1 1 358.816 3.338 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000818602882 727316408 /nfs/dbraw/zinc/31/64/08/727316408.db2.gz IVGNGLKCWRFACV-UHFFFAOYSA-N 1 1 372.818 3.462 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CCC[N@@H+]2C)s1 ZINC000819280808 727363805 /nfs/dbraw/zinc/36/38/05/727363805.db2.gz NYPATWYJUIRTBJ-LBPRGKRZSA-N 1 1 359.948 3.049 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)C[C@@H]2CCC[N@H+]2C)s1 ZINC000819575736 727383042 /nfs/dbraw/zinc/38/30/42/727383042.db2.gz IMQDZMFAEFDSPY-ZDUSSCGKSA-N 1 1 373.975 3.391 20 30 FGEDMO C#C[C@@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000820564673 729005256 /nfs/dbraw/zinc/00/52/56/729005256.db2.gz DMGFNAFYXZEEIC-QFBILLFUSA-N 1 1 359.901 3.388 20 30 FGEDMO Brc1cccc2c(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)ccnc12 ZINC000834965534 729848173 /nfs/dbraw/zinc/84/81/73/729848173.db2.gz CORZMYBTKIOJEK-GJZGRUSLSA-N 1 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370.190 3.045 20 30 FGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000862447272 732837788 /nfs/dbraw/zinc/83/77/88/732837788.db2.gz KYBMBDYPKLAYSE-LLVKDONJSA-N 1 1 370.190 3.045 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1sccc1CC#N ZINC000866356893 733339834 /nfs/dbraw/zinc/33/98/34/733339834.db2.gz PEBIUGRPPFXVNY-QAPCUYQASA-N 1 1 353.491 3.455 20 30 FGEDMO COc1ccc([C@H]2CN(C(=O)c3ccc(C#N)c(Cl)c3)CC[NH2+]2)cc1 ZINC000870142350 733815972 /nfs/dbraw/zinc/81/59/72/733815972.db2.gz HWGZHNGSHUHHMH-GOSISDBHSA-N 1 1 355.825 3.007 20 30 FGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CC(=O)Nc2cccc(Cl)c2C)no1 ZINC000872180515 735601516 /nfs/dbraw/zinc/60/15/16/735601516.db2.gz UDXQEGPCFHLYST-NSHDSACASA-N 1 1 355.225 3.355 20 30 FGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CC(=O)Nc2cccc(Cl)c2C)no1 ZINC000872180514 735601590 /nfs/dbraw/zinc/60/15/90/735601590.db2.gz UDXQEGPCFHLYST-LLVKDONJSA-N 1 1 355.225 3.355 20 30 FGEDMO CCN(C[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1)CC(F)(F)F ZINC000876782232 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C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879561766 737007519 /nfs/dbraw/zinc/00/75/19/737007519.db2.gz UOPGGNBRECUSGK-FRRDWIJNSA-N 1 1 361.536 3.120 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879561766 737007525 /nfs/dbraw/zinc/00/75/25/737007525.db2.gz UOPGGNBRECUSGK-FRRDWIJNSA-N 1 1 361.536 3.120 20 30 FGEDMO CSc1ccc(CNC(=O)NCCCCn2cc[nH+]c2C)cc1C#N ZINC000884170878 737640255 /nfs/dbraw/zinc/64/02/55/737640255.db2.gz IAKODSDNVHVZFM-UHFFFAOYSA-N 1 1 357.483 3.065 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@H]1c1ccccc1 ZINC000888419007 739519965 /nfs/dbraw/zinc/51/99/65/739519965.db2.gz GJVBHRPDWNGFLE-DGCLKSJQSA-N 1 1 361.858 3.235 20 30 FGEDMO CSc1ccc(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1C#N ZINC000890452888 739801267 /nfs/dbraw/zinc/80/12/67/739801267.db2.gz WHGQFRXZOKGUFS-UHFFFAOYSA-N 1 1 360.527 3.296 20 30 FGEDMO CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000893873541 742207752 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FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000185440203 495576751 /nfs/dbraw/zinc/57/67/51/495576751.db2.gz SFPFXVGQHAETQM-BEFAXECRSA-N 1 1 358.461 3.051 20 30 FGEDMO COc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1OCCCC#N ZINC000158901532 495612136 /nfs/dbraw/zinc/61/21/36/495612136.db2.gz OQNRUZIIOOZAKE-UHFFFAOYSA-N 1 1 366.465 3.095 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](C(F)(F)F)C3)C2=O)cc1 ZINC000182593176 495628195 /nfs/dbraw/zinc/62/81/95/495628195.db2.gz HVAIFXJTQGNQIB-HOCLYGCPSA-N 1 1 351.372 3.328 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](C(F)(F)F)C3)C2=O)cc1 ZINC000182593176 495628199 /nfs/dbraw/zinc/62/81/99/495628199.db2.gz HVAIFXJTQGNQIB-HOCLYGCPSA-N 1 1 351.372 3.328 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nccs4)C3)o2)cc1 ZINC000173650361 495634492 /nfs/dbraw/zinc/63/44/92/495634492.db2.gz UYTXOKRAXFFXBY-HNNXBMFYSA-N 1 1 351.435 3.444 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nccs4)C3)o2)cc1 ZINC000173650361 495634497 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30 FGEDMO Cc1occc1C(=O)NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177109033 495929208 /nfs/dbraw/zinc/92/92/08/495929208.db2.gz PGAGGOTYYFOSHF-UHFFFAOYSA-N 1 1 356.853 3.487 20 30 FGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000177164684 495955691 /nfs/dbraw/zinc/95/56/91/495955691.db2.gz ZAJSLPQOILDTFU-HNNXBMFYSA-N 1 1 352.413 3.436 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000177164684 495955696 /nfs/dbraw/zinc/95/56/96/495955696.db2.gz ZAJSLPQOILDTFU-HNNXBMFYSA-N 1 1 352.413 3.436 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1)c1ccccc1 ZINC000151839489 495965194 /nfs/dbraw/zinc/96/51/94/495965194.db2.gz PDUCRARWNJXQQQ-OALUTQOASA-N 1 1 367.449 3.114 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1)c1ccccc1 ZINC000151839489 495965197 /nfs/dbraw/zinc/96/51/97/495965197.db2.gz PDUCRARWNJXQQQ-OALUTQOASA-N 1 1 367.449 3.114 20 30 FGEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(O)c(Cl)c1 ZINC000183424871 495977640 /nfs/dbraw/zinc/97/76/40/495977640.db2.gz AXGGVLRYMSBDSC-UHFFFAOYSA-N 1 1 357.841 3.121 20 30 FGEDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177257935 495996609 /nfs/dbraw/zinc/99/66/09/495996609.db2.gz ZUPFNKQFIWXXRI-KRWDZBQOSA-N 1 1 364.411 3.295 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000155635365 496019697 /nfs/dbraw/zinc/01/96/97/496019697.db2.gz KSKGHIRTOUIFDD-CYBMUJFWSA-N 1 1 361.371 3.078 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000155635365 496019701 /nfs/dbraw/zinc/01/97/01/496019701.db2.gz KSKGHIRTOUIFDD-CYBMUJFWSA-N 1 1 361.371 3.078 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000155719926 496046173 /nfs/dbraw/zinc/04/61/73/496046173.db2.gz VYXKFUUNGWDPGV-UHFFFAOYSA-N 1 1 364.493 3.101 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000155719926 496046178 /nfs/dbraw/zinc/04/61/78/496046178.db2.gz VYXKFUUNGWDPGV-UHFFFAOYSA-N 1 1 364.493 3.101 20 30 FGEDMO C[N@@H+](CCCC(C)(C)C#N)CC(=O)Nc1ccc(Br)cn1 ZINC000174842809 496129810 /nfs/dbraw/zinc/12/98/10/496129810.db2.gz RPLXCSKXBITKHX-UHFFFAOYSA-N 1 1 353.264 3.044 20 30 FGEDMO CC[C@@H](CC#N)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000183839031 496131859 /nfs/dbraw/zinc/13/18/59/496131859.db2.gz ZGRDHSSXSGSRIJ-RDJZCZTQSA-N 1 1 353.388 3.249 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OCC#N ZINC000174927229 496168819 /nfs/dbraw/zinc/16/88/19/496168819.db2.gz GNMUYLFAINMSIO-LJQANCHMSA-N 1 1 363.461 3.183 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000181038412 496248491 /nfs/dbraw/zinc/24/84/91/496248491.db2.gz NVDHKKBMBNJGND-MAUKXSAKSA-N 1 1 358.486 3.003 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000181038412 496248496 /nfs/dbraw/zinc/24/84/96/496248496.db2.gz NVDHKKBMBNJGND-MAUKXSAKSA-N 1 1 358.486 3.003 20 30 FGEDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181041273 496250480 /nfs/dbraw/zinc/25/04/80/496250480.db2.gz NQEPTODTRWGSIJ-HNNXBMFYSA-N 1 1 364.287 3.059 20 30 FGEDMO C=C(C)CN(C)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000181084733 496263671 /nfs/dbraw/zinc/26/36/71/496263671.db2.gz IYTLMVUBTOMSMS-UHFFFAOYSA-N 1 1 350.532 3.135 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c(F)c1 ZINC000175172054 496277334 /nfs/dbraw/zinc/27/73/34/496277334.db2.gz MPCDPAWECOWRRS-LJQANCHMSA-N 1 1 351.425 3.482 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c(F)c1 ZINC000175172054 496277340 /nfs/dbraw/zinc/27/73/40/496277340.db2.gz MPCDPAWECOWRRS-LJQANCHMSA-N 1 1 351.425 3.482 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000172397037 496282163 /nfs/dbraw/zinc/28/21/63/496282163.db2.gz RXBNEVIXTYXINW-CQSZACIVSA-N 1 1 355.463 3.049 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000172397037 496282170 /nfs/dbraw/zinc/28/21/70/496282170.db2.gz RXBNEVIXTYXINW-CQSZACIVSA-N 1 1 355.463 3.049 20 30 FGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccccc1O[C@@H](C)C#N)C2 ZINC000184327174 496336473 /nfs/dbraw/zinc/33/64/73/496336473.db2.gz JXLXRIBESSGWQY-YESZJQIVSA-N 1 1 356.470 3.456 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172585183 496353758 /nfs/dbraw/zinc/35/37/58/496353758.db2.gz WZCBFCIJFWDVGR-LJQANCHMSA-N 1 1 368.525 3.272 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000187271864 496369865 /nfs/dbraw/zinc/36/98/65/496369865.db2.gz FQQDKNNDQAWQPL-HXUWFJFHSA-N 1 1 366.452 3.274 20 30 FGEDMO CC(C)(CN1CCCC1)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000574723374 505841134 /nfs/dbraw/zinc/84/11/34/505841134.db2.gz CMKUHXWEPQYFJK-UHFFFAOYSA-N 1 1 374.554 3.291 20 30 FGEDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000181570494 496450884 /nfs/dbraw/zinc/45/08/84/496450884.db2.gz UQHQWNSSKWJCJZ-YJBOKZPZSA-N 1 1 369.421 3.289 20 30 FGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)c2)c1 ZINC000187537590 496481613 /nfs/dbraw/zinc/48/16/13/496481613.db2.gz OJEOYDZLNNXBEB-QFIPXVFZSA-N 1 1 364.445 3.129 20 30 FGEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CCO[C@@]4(CCOC4)C3)c2)c1 ZINC000187537590 496481619 /nfs/dbraw/zinc/48/16/19/496481619.db2.gz OJEOYDZLNNXBEB-QFIPXVFZSA-N 1 1 364.445 3.129 20 30 FGEDMO N#Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1O ZINC000187679438 496532031 /nfs/dbraw/zinc/53/20/31/496532031.db2.gz RZYOLJLXFARHCS-UHFFFAOYSA-N 1 1 367.474 3.107 20 30 FGEDMO CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000181824651 496561726 /nfs/dbraw/zinc/56/17/26/496561726.db2.gz FETNYBJKWIIYCI-GOSISDBHSA-N 1 1 371.481 3.002 20 30 FGEDMO COC(=O)c1ccc(F)c(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000181883079 496584885 /nfs/dbraw/zinc/58/48/85/496584885.db2.gz DIBFOXUVTIBTCZ-UHFFFAOYSA-N 1 1 367.424 3.196 20 30 FGEDMO COC(=O)c1ccc(F)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000181883079 496584888 /nfs/dbraw/zinc/58/48/88/496584888.db2.gz DIBFOXUVTIBTCZ-UHFFFAOYSA-N 1 1 367.424 3.196 20 30 FGEDMO N#Cc1ccc(C2(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000187835959 496590168 /nfs/dbraw/zinc/59/01/68/496590168.db2.gz NADKXPYFNCGLLH-UHFFFAOYSA-N 1 1 359.473 3.154 20 30 FGEDMO Cc1cccn2cc(CNC3CC[NH+](Cc4ccc(C#N)cc4)CC3)nc12 ZINC000181977639 496620199 /nfs/dbraw/zinc/62/01/99/496620199.db2.gz PNGTTWGVLLLRLF-UHFFFAOYSA-N 1 1 359.477 3.269 20 30 FGEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000187974138 496636503 /nfs/dbraw/zinc/63/65/03/496636503.db2.gz BBXQTSFKEOBDGT-HRAATJIYSA-N 1 1 353.466 3.221 20 30 FGEDMO C=C(C)COCC[NH2+]Cc1ncc(Br)cc1Br ZINC000168621479 496710717 /nfs/dbraw/zinc/71/07/17/496710717.db2.gz LLLYCAABZVPKOK-UHFFFAOYSA-N 1 1 364.081 3.289 20 30 FGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220326 496711801 /nfs/dbraw/zinc/71/18/01/496711801.db2.gz KTYCZMPRHYCWMM-INIZCTEOSA-N 1 1 360.385 3.162 20 30 FGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220326 496711807 /nfs/dbraw/zinc/71/18/07/496711807.db2.gz KTYCZMPRHYCWMM-INIZCTEOSA-N 1 1 360.385 3.162 20 30 FGEDMO CCC[C@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000273304866 496769602 /nfs/dbraw/zinc/76/96/02/496769602.db2.gz LKOLSHRLLTWENF-GOEBONIOSA-N 1 1 352.438 3.166 20 30 FGEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000273304866 496769605 /nfs/dbraw/zinc/76/96/05/496769605.db2.gz LKOLSHRLLTWENF-GOEBONIOSA-N 1 1 352.438 3.166 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2CCCN(CC(F)F)CC2)ccc1OC ZINC000569156120 505864857 /nfs/dbraw/zinc/86/48/57/505864857.db2.gz QXAHSJVRFIANCC-UHFFFAOYSA-N 1 1 354.441 3.423 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCCN(CC(F)F)CC2)ccc1OC ZINC000569156120 505864860 /nfs/dbraw/zinc/86/48/60/505864860.db2.gz QXAHSJVRFIANCC-UHFFFAOYSA-N 1 1 354.441 3.423 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000191480040 496776839 /nfs/dbraw/zinc/77/68/39/496776839.db2.gz LBXDKHDKYFNQJG-HXUWFJFHSA-N 1 1 351.450 3.076 20 30 FGEDMO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000578118595 505866173 /nfs/dbraw/zinc/86/61/73/505866173.db2.gz NYVNLOGDACSUKE-MDASCCDHSA-N 1 1 365.502 3.286 20 30 FGEDMO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000578118595 505866176 /nfs/dbraw/zinc/86/61/76/505866176.db2.gz NYVNLOGDACSUKE-MDASCCDHSA-N 1 1 365.502 3.286 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000191504377 496787692 /nfs/dbraw/zinc/78/76/92/496787692.db2.gz RWZXINZBICFVJL-LJQANCHMSA-N 1 1 351.450 3.076 20 30 FGEDMO C=CCC[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000195039809 496799892 /nfs/dbraw/zinc/79/98/92/496799892.db2.gz DFIKPVCEWJIHPA-WSTZPKSXSA-N 1 1 359.514 3.445 20 30 FGEDMO C=CCC[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000195039809 496799895 /nfs/dbraw/zinc/79/98/95/496799895.db2.gz DFIKPVCEWJIHPA-WSTZPKSXSA-N 1 1 359.514 3.445 20 30 FGEDMO N#C[C@H](C(=O)C[N@@H+]1CCC[C@H]2CCCC[C@H]21)c1nc2ccccc2c(=O)[nH]1 ZINC000264087419 496808404 /nfs/dbraw/zinc/80/84/04/496808404.db2.gz SBBLBOSZARKSOS-QGPMSJSTSA-N 1 1 364.449 3.166 20 30 FGEDMO N#C[C@H](C(=O)C[N@H+]1CCC[C@H]2CCCC[C@H]21)c1nc2ccccc2c(=O)[nH]1 ZINC000264087419 496808410 /nfs/dbraw/zinc/80/84/10/496808410.db2.gz SBBLBOSZARKSOS-QGPMSJSTSA-N 1 1 364.449 3.166 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000273510620 496827592 /nfs/dbraw/zinc/82/75/92/496827592.db2.gz OJPQDJQQFJFNCV-HNNXBMFYSA-N 1 1 353.470 3.118 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]2(CO)CC(C)C)c1C ZINC000191643367 496843885 /nfs/dbraw/zinc/84/38/85/496843885.db2.gz FHLCOIIXYWCDID-JOCHJYFZSA-N 1 1 371.525 3.423 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000247505539 496875505 /nfs/dbraw/zinc/87/55/05/496875505.db2.gz VGWZCCRGSLFBHC-PXNSSMCTSA-N 1 1 353.491 3.362 20 30 FGEDMO Cc1noc(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)n1 ZINC000191777755 496885768 /nfs/dbraw/zinc/88/57/68/496885768.db2.gz CRKDMWZEISGPRZ-UHFFFAOYSA-N 1 1 361.243 3.392 20 30 FGEDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H](C)O1 ZINC000247598387 496894258 /nfs/dbraw/zinc/89/42/58/496894258.db2.gz OSAMCYKLNXPFEU-KGLIPLIRSA-N 1 1 361.511 3.326 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000247702197 496907936 /nfs/dbraw/zinc/90/79/36/496907936.db2.gz YCYRNMYVFWIGOC-RBUKOAKNSA-N 1 1 368.502 3.412 20 30 FGEDMO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(C#N)cc1 ZINC000269393661 496936898 /nfs/dbraw/zinc/93/68/98/496936898.db2.gz AYSIITTUUNKHCD-ZAAXVRCTSA-N 1 1 352.482 3.278 20 30 FGEDMO CCc1ccccc1NC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000198384424 496967815 /nfs/dbraw/zinc/96/78/15/496967815.db2.gz IIISEOCSMJNTJJ-UHFFFAOYSA-N 1 1 364.449 3.020 20 30 FGEDMO CCc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000198384424 496967817 /nfs/dbraw/zinc/96/78/17/496967817.db2.gz IIISEOCSMJNTJJ-UHFFFAOYSA-N 1 1 364.449 3.020 20 30 FGEDMO C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000192169841 497022111 /nfs/dbraw/zinc/02/21/11/497022111.db2.gz KUJSTQIEVOLLCV-CQSZACIVSA-N 1 1 351.903 3.414 20 30 FGEDMO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000192169841 497022117 /nfs/dbraw/zinc/02/21/17/497022117.db2.gz KUJSTQIEVOLLCV-CQSZACIVSA-N 1 1 351.903 3.414 20 30 FGEDMO COC(=O)[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000248612121 497057152 /nfs/dbraw/zinc/05/71/52/497057152.db2.gz XWUCCXKFVFRZEY-QKYXUNIQSA-N 1 1 355.482 3.015 20 30 FGEDMO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000248628331 497063886 /nfs/dbraw/zinc/06/38/86/497063886.db2.gz QSCOGUVBHXDMKB-WBVHZDCISA-N 1 1 359.470 3.294 20 30 FGEDMO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)C(=O)NC2(C#N)CCCCC2)o1 ZINC000248628331 497063890 /nfs/dbraw/zinc/06/38/90/497063890.db2.gz QSCOGUVBHXDMKB-WBVHZDCISA-N 1 1 359.470 3.294 20 30 FGEDMO C=CCC[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000189323239 497082148 /nfs/dbraw/zinc/08/21/48/497082148.db2.gz KXVKEGAKWBVMEL-YADHBBJMSA-N 1 1 369.553 3.365 20 30 FGEDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000274517911 497115872 /nfs/dbraw/zinc/11/58/72/497115872.db2.gz RREWWNVCQFBPOH-GOSISDBHSA-N 1 1 367.449 3.333 20 30 FGEDMO C=CCC[C@@H](C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000189481935 497131797 /nfs/dbraw/zinc/13/17/97/497131797.db2.gz AXHOGBSIYDMEIT-RTWAWAEBSA-N 1 1 357.542 3.125 20 30 FGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000192514401 497137066 /nfs/dbraw/zinc/13/70/66/497137066.db2.gz CDOKYCIDRRAWJZ-KDURUIRLSA-N 1 1 361.445 3.293 20 30 FGEDMO C=CCC[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1 ZINC000249079810 497162089 /nfs/dbraw/zinc/16/20/89/497162089.db2.gz CLBDQXFNUALEGE-PKOBYXMFSA-N 1 1 359.514 3.181 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000578219189 505889864 /nfs/dbraw/zinc/88/98/64/505889864.db2.gz UPCVXKGVXKUZRN-IRXDYDNUSA-N 1 1 361.534 3.405 20 30 FGEDMO CC(C)N(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C(C)C ZINC000278675779 497186375 /nfs/dbraw/zinc/18/63/75/497186375.db2.gz ORACYZGNEZMEDM-UHFFFAOYSA-N 1 1 354.502 3.067 20 30 FGEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000278739434 497204870 /nfs/dbraw/zinc/20/48/70/497204870.db2.gz WKFLZADCIGRGNW-CHWSQXEVSA-N 1 1 354.317 3.320 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189816773 497254583 /nfs/dbraw/zinc/25/45/83/497254583.db2.gz SAEMWOXRWWOZOQ-HNNXBMFYSA-N 1 1 368.481 3.324 20 30 FGEDMO CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@H]1C ZINC000251526416 497275631 /nfs/dbraw/zinc/27/56/31/497275631.db2.gz CYPQRXMXQIBZSJ-WSTZPKSXSA-N 1 1 357.498 3.295 20 30 FGEDMO C=CCC[C@@H](C(=O)NCCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000275341864 497296377 /nfs/dbraw/zinc/29/63/77/497296377.db2.gz RAXFCTWSUQORQZ-OAQYLSRUSA-N 1 1 357.542 3.270 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000266320355 497303454 /nfs/dbraw/zinc/30/34/54/497303454.db2.gz SDGNTLGDDPSFRY-IBGZPJMESA-N 1 1 357.498 3.298 20 30 FGEDMO COc1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)cc1OCCCC#N ZINC000252802696 497321432 /nfs/dbraw/zinc/32/14/32/497321432.db2.gz PLBZQFXTPOGEOV-APWZRJJASA-N 1 1 362.495 3.084 20 30 FGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000266644469 497389302 /nfs/dbraw/zinc/38/93/02/497389302.db2.gz CKLSWJCEPGQDSQ-IBGZPJMESA-N 1 1 361.486 3.037 20 30 FGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266739653 497409782 /nfs/dbraw/zinc/40/97/82/497409782.db2.gz MVTQKKVKEFJUOU-CXHZTBPHSA-N 1 1 364.449 3.165 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193588204 497420861 /nfs/dbraw/zinc/42/08/61/497420861.db2.gz GFRXEAVMYMPNOE-CVEARBPZSA-N 1 1 369.444 3.064 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193588204 497420864 /nfs/dbraw/zinc/42/08/64/497420864.db2.gz GFRXEAVMYMPNOE-CVEARBPZSA-N 1 1 369.444 3.064 20 30 FGEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCSC[C@H]2C#N)c1 ZINC000271739075 497434958 /nfs/dbraw/zinc/43/49/58/497434958.db2.gz PEIXAFNOOBWXLI-HXUWFJFHSA-N 1 1 365.502 3.400 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2ccncc2)c(OC)c1 ZINC000245581023 497465563 /nfs/dbraw/zinc/46/55/63/497465563.db2.gz IUSRHUQNVFJZNT-UXHICEINSA-N 1 1 368.477 3.396 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245633223 497481818 /nfs/dbraw/zinc/48/18/18/497481818.db2.gz UOIFAUNVBKKVFF-RTBURBONSA-N 1 1 368.868 3.456 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245633223 497481823 /nfs/dbraw/zinc/48/18/23/497481823.db2.gz UOIFAUNVBKKVFF-RTBURBONSA-N 1 1 368.868 3.456 20 30 FGEDMO N#Cc1c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cn2ccccc12 ZINC000267335475 497527676 /nfs/dbraw/zinc/52/76/76/497527676.db2.gz AYDGEFFDGMAHRE-IBGZPJMESA-N 1 1 353.466 3.361 20 30 FGEDMO C=CCN(C(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C1CC1 ZINC000276253172 497530822 /nfs/dbraw/zinc/53/08/22/497530822.db2.gz ZIYLPKGAXHBCSS-UHFFFAOYSA-N 1 1 366.465 3.170 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 ZINC000245830443 497545752 /nfs/dbraw/zinc/54/57/52/497545752.db2.gz GHQHNXMXCWGXQM-AZUAARDMSA-N 1 1 369.509 3.244 20 30 FGEDMO CO[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000246098294 497620697 /nfs/dbraw/zinc/62/06/97/497620697.db2.gz JANUEPDQDPWVKV-UONOGXRCSA-N 1 1 361.511 3.184 20 30 FGEDMO CCC1(CC)CC[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268056894 497669425 /nfs/dbraw/zinc/66/94/25/497669425.db2.gz YRGCEXMEMVLNFX-HNNXBMFYSA-N 1 1 352.438 3.024 20 30 FGEDMO CCC1(CC)CC[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000268056894 497669430 /nfs/dbraw/zinc/66/94/30/497669430.db2.gz YRGCEXMEMVLNFX-HNNXBMFYSA-N 1 1 352.438 3.024 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000268059115 497670035 /nfs/dbraw/zinc/67/00/35/497670035.db2.gz VGVXYQGOQGDGJG-AUUYWEPGSA-N 1 1 369.415 3.477 20 30 FGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272666135 497695987 /nfs/dbraw/zinc/69/59/87/497695987.db2.gz IZJCTPSQBIUIEP-SJLPKXTDSA-N 1 1 364.449 3.373 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c(-c2ccccc2)n1 ZINC000276953833 497697479 /nfs/dbraw/zinc/69/74/79/497697479.db2.gz AQJCFFDHNFXZDA-UHFFFAOYSA-N 1 1 359.433 3.123 20 30 FGEDMO COCCN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000191233184 497750775 /nfs/dbraw/zinc/75/07/75/497750775.db2.gz ZFFMZTKBWYKYKQ-UHFFFAOYSA-N 1 1 352.482 3.446 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000246787576 497810740 /nfs/dbraw/zinc/81/07/40/497810740.db2.gz BKCKQRRHVNYAQJ-IXDOHACOSA-N 1 1 372.538 3.045 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000246816868 497813225 /nfs/dbraw/zinc/81/32/25/497813225.db2.gz SFTSUGRHEYYIBC-UYAOXDASSA-N 1 1 354.425 3.002 20 30 FGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)C1 ZINC000329580101 497835350 /nfs/dbraw/zinc/83/53/50/497835350.db2.gz UQCHTGLJNHXGKW-OBKDMQGPSA-N 1 1 365.562 3.140 20 30 FGEDMO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000329614954 497846179 /nfs/dbraw/zinc/84/61/79/497846179.db2.gz KUQAILPSGOAZFF-MMNRESRNSA-N 1 1 358.486 3.383 20 30 FGEDMO C[N@H+]1CC[C@H](NCc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccccc1 ZINC000581220420 505936341 /nfs/dbraw/zinc/93/63/41/505936341.db2.gz MMYDYXBDWOXBBQ-AZUAARDMSA-N 1 1 359.433 3.143 20 30 FGEDMO CN1CC[C@H]([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1c1ccccc1 ZINC000581220420 505936346 /nfs/dbraw/zinc/93/63/46/505936346.db2.gz MMYDYXBDWOXBBQ-AZUAARDMSA-N 1 1 359.433 3.143 20 30 FGEDMO C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000329635899 497852620 /nfs/dbraw/zinc/85/26/20/497852620.db2.gz UTXMPWVFKQFPRN-RDTXWAMCSA-N 1 1 355.486 3.203 20 30 FGEDMO Cc1cc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)n[nH]1 ZINC000299607309 497867283 /nfs/dbraw/zinc/86/72/83/497867283.db2.gz IVFLLWNKXCULRA-UHFFFAOYSA-N 1 1 371.872 3.451 20 30 FGEDMO C[C@@H]1C[C@@H](Nc2cc(C(=O)NC3CC3)c3ccccc3n2)C[N@H+]1C1CC1 ZINC000329687935 497870637 /nfs/dbraw/zinc/87/06/37/497870637.db2.gz FXVSSDFTWKPGAX-UKRRQHHQSA-N 1 1 350.466 3.161 20 30 FGEDMO C[C@@H](NC(=O)NCC[C@@H]1CCO[C@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329764310 497893550 /nfs/dbraw/zinc/89/35/50/497893550.db2.gz VOPAKKPHDPLZHO-TVFCKZIOSA-N 1 1 351.535 3.348 20 30 FGEDMO O=C(C[N@@H+]1CCOCC2(CCC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000329789883 497901120 /nfs/dbraw/zinc/90/11/20/497901120.db2.gz SSKYXHVTURZIEP-UHFFFAOYSA-N 1 1 372.509 3.194 20 30 FGEDMO O=C(C[N@H+]1CCOCC2(CCC2)C1)NCC1(c2ccccc2)CCOCC1 ZINC000329789883 497901126 /nfs/dbraw/zinc/90/11/26/497901126.db2.gz SSKYXHVTURZIEP-UHFFFAOYSA-N 1 1 372.509 3.194 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn(C)nc2[C@H]2CCOC2)C1 ZINC000329879522 497937529 /nfs/dbraw/zinc/93/75/29/497937529.db2.gz MJDPNEOSPZDBFG-CVEARBPZSA-N 1 1 362.518 3.129 20 30 FGEDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292261677 497942368 /nfs/dbraw/zinc/94/23/68/497942368.db2.gz RLYPDTIIHJSTSC-FUHWJXTLSA-N 1 1 364.449 3.050 20 30 FGEDMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000292261677 497942377 /nfs/dbraw/zinc/94/23/77/497942377.db2.gz RLYPDTIIHJSTSC-FUHWJXTLSA-N 1 1 364.449 3.050 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000329892497 497942486 /nfs/dbraw/zinc/94/24/86/497942486.db2.gz AAHXXDDOXPHHSJ-SCTDSRPQSA-N 1 1 365.905 3.236 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(O)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000329892497 497942494 /nfs/dbraw/zinc/94/24/94/497942494.db2.gz AAHXXDDOXPHHSJ-SCTDSRPQSA-N 1 1 365.905 3.236 20 30 FGEDMO Cn1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000292259254 497942663 /nfs/dbraw/zinc/94/26/63/497942663.db2.gz YMGIMEXHSQOUJB-HXUWFJFHSA-N 1 1 350.466 3.207 20 30 FGEDMO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)C1 ZINC000329896960 497944149 /nfs/dbraw/zinc/94/41/49/497944149.db2.gz CSPMRKCOPCAXGV-LSDHHAIUSA-N 1 1 355.548 3.153 20 30 FGEDMO CNC(=O)C1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000329914675 497950881 /nfs/dbraw/zinc/95/08/81/497950881.db2.gz PFTKYWWTTZTWAM-VIQWUECVSA-N 1 1 372.513 3.157 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000329929579 497956853 /nfs/dbraw/zinc/95/68/53/497956853.db2.gz NQHGTVCVPVMRLL-ZKIDJSGLSA-N 1 1 357.498 3.283 20 30 FGEDMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]3CC34CCCC4)cc2)CC1 ZINC000329963572 497972521 /nfs/dbraw/zinc/97/25/21/497972521.db2.gz PYZQFOSLJLGTTO-GOSISDBHSA-N 1 1 355.482 3.111 20 30 FGEDMO Cc1oc(C#N)cc1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000280979176 497973279 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FGEDMO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nnc2n1CCCCC2 ZINC000363174619 498686348 /nfs/dbraw/zinc/68/63/48/498686348.db2.gz CHLAPXQWDQPXHK-MRXNPFEDSA-N 1 1 352.486 3.205 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3cc(C#N)c4ccccc4n3)c2)CCO1 ZINC000581856830 506075038 /nfs/dbraw/zinc/07/50/38/506075038.db2.gz RLGTZGZVBSLQLO-QGZVFWFLSA-N 1 1 372.472 3.361 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3cc(C#N)c4ccccc4n3)c2)CCO1 ZINC000581856830 506075041 /nfs/dbraw/zinc/07/50/41/506075041.db2.gz RLGTZGZVBSLQLO-QGZVFWFLSA-N 1 1 372.472 3.361 20 30 FGEDMO C=CC[NH+]1CCC(NCc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000298264819 498713965 /nfs/dbraw/zinc/71/39/65/498713965.db2.gz GCBMLHRGGYZJEZ-UHFFFAOYSA-N 1 1 369.303 3.293 20 30 FGEDMO CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)cc2C)[NH+](C)C)cc1 ZINC000303845553 498721893 /nfs/dbraw/zinc/72/18/93/498721893.db2.gz NQFOFPFFPGFXLX-IBGZPJMESA-N 1 1 371.506 3.010 20 30 FGEDMO N#Cc1cccc(OCCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000312940283 498763484 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C=CCSc1ccccc1NC(=O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000579173112 506108911 /nfs/dbraw/zinc/10/89/11/506108911.db2.gz ADQJLKAWRMMORH-FQEVSTJZSA-N 1 1 372.490 3.106 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328833318 498956237 /nfs/dbraw/zinc/95/62/37/498956237.db2.gz RSYZTSBXFLFWCQ-ZFVVBOAOSA-N 1 1 352.862 3.178 20 30 FGEDMO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328846561 498958924 /nfs/dbraw/zinc/95/89/24/498958924.db2.gz VNZHCSYDNKRYOT-KFKAGJAMSA-N 1 1 360.498 3.434 20 30 FGEDMO O=C(N[C@H]1CC[C@H](O)CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000328904892 498980506 /nfs/dbraw/zinc/98/05/06/498980506.db2.gz AKNBPBUNSQXPFS-MXVIHJGJSA-N 1 1 371.525 3.192 20 30 FGEDMO O=C(C[N@H+]1CCC[C@@H]1C1CCC1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000328919987 498986464 /nfs/dbraw/zinc/98/64/64/498986464.db2.gz LRZMABHWZAORIA-HXUWFJFHSA-N 1 1 369.509 3.247 20 30 FGEDMO C=CCn1c(Cc2ccccc2Cl)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000570247309 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370.416 3.405 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](n4cc5ccccc5n4)C3)o2)cc1 ZINC000371656075 499351359 /nfs/dbraw/zinc/35/13/59/499351359.db2.gz PVSOYARPIDDLEF-SFHVURJKSA-N 1 1 370.416 3.405 20 30 FGEDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc(C#N)oc3C)CC[N@@H+]2C2CC2)c1 ZINC000369060852 499361594 /nfs/dbraw/zinc/36/15/94/499361594.db2.gz BVFTXEXANYSHMG-WOJBJXKFSA-N 1 1 365.433 3.176 20 30 FGEDMO COc1cccc([C@@H]2[C@H](NC(=O)c3cc(C#N)oc3C)CC[N@H+]2C2CC2)c1 ZINC000369060852 499361595 /nfs/dbraw/zinc/36/15/95/499361595.db2.gz BVFTXEXANYSHMG-WOJBJXKFSA-N 1 1 365.433 3.176 20 30 FGEDMO CCc1nccc([C@H]2CCC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC000371784972 499365188 /nfs/dbraw/zinc/36/51/88/499365188.db2.gz GZCRBDIKIUOGCO-KRWDZBQOSA-N 1 1 374.448 3.340 20 30 FGEDMO CCc1nccc([C@H]2CCC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC000371784972 499365190 /nfs/dbraw/zinc/36/51/90/499365190.db2.gz GZCRBDIKIUOGCO-KRWDZBQOSA-N 1 1 374.448 3.340 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)nc2)[C@H]1c1cccc(Cl)c1 ZINC000369358243 499395310 /nfs/dbraw/zinc/39/53/10/499395310.db2.gz KQCMUVXRZFDLTA-KBXCAEBGSA-N 1 1 354.841 3.029 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372150695 499403655 /nfs/dbraw/zinc/40/36/55/499403655.db2.gz PRKDKPRKAWZAQC-BRWVUGGUSA-N 1 1 373.522 3.378 20 30 FGEDMO COc1ccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)cc1C#N ZINC000372169349 499404988 /nfs/dbraw/zinc/40/49/88/499404988.db2.gz HLOLVKHGUWHXNV-UHFFFAOYSA-N 1 1 350.418 3.367 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)cc3C)[C@H](C)C2)s1 ZINC000372185374 499406535 /nfs/dbraw/zinc/40/65/35/499406535.db2.gz JRMOCRSDTRWTSD-AUUYWEPGSA-N 1 1 368.506 3.272 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369564726 499418636 /nfs/dbraw/zinc/41/86/36/499418636.db2.gz NMAQKCNNNKVTAL-QOKNQOGYSA-N 1 1 369.490 3.196 20 30 FGEDMO N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000373456048 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364.380 3.401 20 30 FGEDMO C=CCCCCCCNC(=O)N1CCC([NH+]2CCN(CCC)CC2)CC1 ZINC000377042517 499656193 /nfs/dbraw/zinc/65/61/93/499656193.db2.gz JXXHIYJVOGAKOC-UHFFFAOYSA-N 1 1 364.578 3.325 20 30 FGEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000377777953 499732279 /nfs/dbraw/zinc/73/22/79/499732279.db2.gz JSEWLJICWVVABA-UHFFFAOYSA-N 1 1 371.525 3.086 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000411486440 499746639 /nfs/dbraw/zinc/74/66/39/499746639.db2.gz KUNYHCZLVBNZFS-LPHOPBHVSA-N 1 1 354.450 3.339 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000411486440 499746641 /nfs/dbraw/zinc/74/66/41/499746641.db2.gz KUNYHCZLVBNZFS-LPHOPBHVSA-N 1 1 354.450 3.339 20 30 FGEDMO CC(C)(C#N)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000378146649 499760883 /nfs/dbraw/zinc/76/08/83/499760883.db2.gz DPNDESMRRYJCOI-RBUKOAKNSA-N 1 1 370.497 3.253 20 30 FGEDMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC000412347548 499847096 /nfs/dbraw/zinc/84/70/96/499847096.db2.gz WWRYJERRSATJBP-FDFHNCONSA-N 1 1 359.473 3.047 20 30 FGEDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC000412347548 499847097 /nfs/dbraw/zinc/84/70/97/499847097.db2.gz WWRYJERRSATJBP-FDFHNCONSA-N 1 1 359.473 3.047 20 30 FGEDMO CCc1nc(C[NH+]2CCC(CNc3ncc(C#N)cc3F)CC2)cs1 ZINC000413139309 499918713 /nfs/dbraw/zinc/91/87/13/499918713.db2.gz HQIMXXDUIHFESM-UHFFFAOYSA-N 1 1 359.474 3.435 20 30 FGEDMO Cc1nsc(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000417122098 499978268 /nfs/dbraw/zinc/97/82/68/499978268.db2.gz JVSNTPMSUNUXQN-ZDUSSCGKSA-N 1 1 355.467 3.061 20 30 FGEDMO Cc1nsc(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000417122098 499978271 /nfs/dbraw/zinc/97/82/71/499978271.db2.gz JVSNTPMSUNUXQN-ZDUSSCGKSA-N 1 1 355.467 3.061 20 30 FGEDMO CC(C)[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416343610 500021815 /nfs/dbraw/zinc/02/18/15/500021815.db2.gz SOUMNLAJEYBOCV-GQSCTRQFSA-N 1 1 369.509 3.186 20 30 FGEDMO CC(C)[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416343610 500021819 /nfs/dbraw/zinc/02/18/19/500021819.db2.gz SOUMNLAJEYBOCV-GQSCTRQFSA-N 1 1 369.509 3.186 20 30 FGEDMO C=CC[C@H]1[N@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)CCCC1(C)C ZINC000579431740 506171522 /nfs/dbraw/zinc/17/15/22/506171522.db2.gz OQESCUGESSASLO-CQSZACIVSA-N 1 1 371.510 3.209 20 30 FGEDMO C=CC[C@H]1[N@@H+](Cc2nnc3n2c2ccsc2c(=O)n3C)CCCC1(C)C ZINC000579431740 506171525 /nfs/dbraw/zinc/17/15/25/506171525.db2.gz OQESCUGESSASLO-CQSZACIVSA-N 1 1 371.510 3.209 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc3c(cc2C#N)COCC3)C1 ZINC000570478806 506175666 /nfs/dbraw/zinc/17/56/66/506175666.db2.gz BZXZMUVSCPTQBY-DLBZAZTESA-N 1 1 354.498 3.117 20 30 FGEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000413833280 500070510 /nfs/dbraw/zinc/07/05/10/500070510.db2.gz KJKMWJJDYVTWHE-LEWJYISDSA-N 1 1 371.525 3.070 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000416783188 500119666 /nfs/dbraw/zinc/11/96/66/500119666.db2.gz ZJDHSDTVZCKMJF-MRXNPFEDSA-N 1 1 364.449 3.305 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000416783188 500119667 /nfs/dbraw/zinc/11/96/67/500119667.db2.gz ZJDHSDTVZCKMJF-MRXNPFEDSA-N 1 1 364.449 3.305 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)Cc1nnc(C(=O)Nc2ccc(C)cc2)s1 ZINC000429702325 500126062 /nfs/dbraw/zinc/12/60/62/500126062.db2.gz NLVMLIFMEXIHLR-UHFFFAOYSA-N 1 1 373.526 3.039 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000429715390 500129813 /nfs/dbraw/zinc/12/98/13/500129813.db2.gz IIDUMXZGOKIZBA-MRXNPFEDSA-N 1 1 364.449 3.132 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429727540 500133530 /nfs/dbraw/zinc/13/35/30/500133530.db2.gz BZRGRCJOLYOBHL-CQSZACIVSA-N 1 1 359.430 3.146 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425529541 500133911 /nfs/dbraw/zinc/13/39/11/500133911.db2.gz BYYYWAHEDXVJKE-CQSZACIVSA-N 1 1 352.394 3.406 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425529541 500133914 /nfs/dbraw/zinc/13/39/14/500133914.db2.gz BYYYWAHEDXVJKE-CQSZACIVSA-N 1 1 352.394 3.406 20 30 FGEDMO COc1cccc(COC[C@@H](O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425534888 500136049 /nfs/dbraw/zinc/13/60/49/500136049.db2.gz MLRSVSRPRDDQEK-JXFKEZNVSA-N 1 1 354.450 3.137 20 30 FGEDMO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1F ZINC000425539995 500138479 /nfs/dbraw/zinc/13/84/79/500138479.db2.gz NOLCUXLACAIGBJ-HNNXBMFYSA-N 1 1 369.440 3.357 20 30 FGEDMO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1F ZINC000425539995 500138484 /nfs/dbraw/zinc/13/84/84/500138484.db2.gz NOLCUXLACAIGBJ-HNNXBMFYSA-N 1 1 369.440 3.357 20 30 FGEDMO Cc1ccccc1Cc1nc2ccccc2n1C[C@H](O)C[N@H+](C)CCC#N ZINC000414124234 500159105 /nfs/dbraw/zinc/15/91/05/500159105.db2.gz KIYSCZDGWZALON-LJQANCHMSA-N 1 1 362.477 3.142 20 30 FGEDMO Cc1ccccc1Cc1nc2ccccc2n1C[C@H](O)C[N@@H+](C)CCC#N ZINC000414124234 500159108 /nfs/dbraw/zinc/15/91/08/500159108.db2.gz KIYSCZDGWZALON-LJQANCHMSA-N 1 1 362.477 3.142 20 30 FGEDMO N#CCCC[C@@H](NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1ccccc1 ZINC000418206764 500249450 /nfs/dbraw/zinc/24/94/50/500249450.db2.gz ATGHSKGRVPPTGM-UXHICEINSA-N 1 1 363.465 3.173 20 30 FGEDMO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426777892 500319143 /nfs/dbraw/zinc/31/91/43/500319143.db2.gz ROJQRXVBMQXOOF-CALCHBBNSA-N 1 1 364.411 3.295 20 30 FGEDMO C[C@@H]1C[C@H](CCNC(=O)NCC2(C#N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000419478209 500369947 /nfs/dbraw/zinc/36/99/47/500369947.db2.gz QZSPHJJVLPBSCA-MJGOQNOKSA-N 1 1 354.498 3.280 20 30 FGEDMO C=CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000427261595 500375162 /nfs/dbraw/zinc/37/51/62/500375162.db2.gz ZFDGWEHUVDRSHI-FYYLOGMGSA-N 1 1 364.489 3.100 20 30 FGEDMO Cc1nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc(C)c1CC(C)C ZINC000431640375 500402048 /nfs/dbraw/zinc/40/20/48/500402048.db2.gz PXKRNYPPLZNZTB-UHFFFAOYSA-N 1 1 363.509 3.486 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340598 500445021 /nfs/dbraw/zinc/44/50/21/500445021.db2.gz MUVFPLYHFGXFJP-IAGOWNOFSA-N 1 1 359.539 3.225 20 30 FGEDMO C=CCn1cc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)nn1 ZINC000424174942 500463408 /nfs/dbraw/zinc/46/34/08/500463408.db2.gz SNUWMPYWSOHJOW-UHFFFAOYSA-N 1 1 363.469 3.128 20 30 FGEDMO C[C@H]1C[N@H+](C2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)CCO1 ZINC000428098843 500468625 /nfs/dbraw/zinc/46/86/25/500468625.db2.gz XVKNDTVGVFLMNE-INIZCTEOSA-N 1 1 368.525 3.257 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000420814064 500507869 /nfs/dbraw/zinc/50/78/69/500507869.db2.gz WKTCAFVYLZNINZ-DOTOQJQBSA-N 1 1 368.506 3.472 20 30 FGEDMO Cc1cc(CNC(=O)Nc2ccc(C#N)c(F)c2)cc(N2CCCC2)[nH+]1 ZINC000582390245 506200424 /nfs/dbraw/zinc/20/04/24/506200424.db2.gz YYCUZWYZZFVLBR-UHFFFAOYSA-N 1 1 353.401 3.323 20 30 FGEDMO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000432476852 500520369 /nfs/dbraw/zinc/52/03/69/500520369.db2.gz JHGTZOLQGHNZAU-QGZVFWFLSA-N 1 1 371.462 3.053 20 30 FGEDMO N#Cc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000420887859 500522537 /nfs/dbraw/zinc/52/25/37/500522537.db2.gz LXGYHXVOSBWIDS-UHFFFAOYSA-N 1 1 372.469 3.176 20 30 FGEDMO N#Cc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000420887859 500522539 /nfs/dbraw/zinc/52/25/39/500522539.db2.gz LXGYHXVOSBWIDS-UHFFFAOYSA-N 1 1 372.469 3.176 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(Br)c3)C2)nc1 ZINC000428770200 500555018 /nfs/dbraw/zinc/55/50/18/500555018.db2.gz FDEICAPTUZUCEM-INIZCTEOSA-N 1 1 358.239 3.369 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(Br)c3)C2)nc1 ZINC000428770200 500555020 /nfs/dbraw/zinc/55/50/20/500555020.db2.gz FDEICAPTUZUCEM-INIZCTEOSA-N 1 1 358.239 3.369 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](CCO)CC1)c1cccc(Cl)c1 ZINC000421045686 500563946 /nfs/dbraw/zinc/56/39/46/500563946.db2.gz VKUJGSQJCIROEG-MRXNPFEDSA-N 1 1 363.889 3.071 20 30 FGEDMO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)C(N)=O ZINC000428843149 500564780 /nfs/dbraw/zinc/56/47/80/500564780.db2.gz UZTVFSGMIUNXLA-YVEFUNNKSA-N 1 1 372.266 3.068 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@H+]([C@H](C)c2cccc(C#N)c2)CC(O)C1 ZINC000442672036 500609929 /nfs/dbraw/zinc/60/99/29/500609929.db2.gz HWZVOQWOLWGGLW-QZTJIDSGSA-N 1 1 374.488 3.231 20 30 FGEDMO CC[C@H]([NH2+]Cc1ccc(N2CCN(CC)CC2)nc1)c1ccc(C#N)cc1 ZINC000447529366 500618218 /nfs/dbraw/zinc/61/82/18/500618218.db2.gz JZKLRDPMNUMFSN-NRFANRHFSA-N 1 1 363.509 3.336 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433075262 500620261 /nfs/dbraw/zinc/62/02/61/500620261.db2.gz YFBZCWSRBAZDIM-GOSISDBHSA-N 1 1 370.518 3.439 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433075262 500620265 /nfs/dbraw/zinc/62/02/65/500620265.db2.gz YFBZCWSRBAZDIM-GOSISDBHSA-N 1 1 370.518 3.439 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c(OC(F)F)c1 ZINC000437399337 500640479 /nfs/dbraw/zinc/64/04/79/500640479.db2.gz ATLXXFBWZYYMCO-UHFFFAOYSA-N 1 1 364.421 3.328 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nccs3)CC2)c(OC(F)F)c1 ZINC000437399337 500640482 /nfs/dbraw/zinc/64/04/82/500640482.db2.gz ATLXXFBWZYYMCO-UHFFFAOYSA-N 1 1 364.421 3.328 20 30 FGEDMO CC(C)c1ccc2ncc(C#N)c(N3CCC[N@H+]([C@H](C)CO)CC3)c2c1 ZINC000447685269 500645071 /nfs/dbraw/zinc/64/50/71/500645071.db2.gz JMWJEGNWUIXFSX-MRXNPFEDSA-N 1 1 352.482 3.123 20 30 FGEDMO C=CC[C@@H]1N(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCCC1(C)C ZINC000447810395 500667296 /nfs/dbraw/zinc/66/72/96/500667296.db2.gz INPAJVYKXLUJBA-MSOLQXFVSA-N 1 1 351.535 3.264 20 30 FGEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000447837143 500673805 /nfs/dbraw/zinc/67/38/05/500673805.db2.gz ZPRFBQIMRYPERJ-NVXWUHKLSA-N 1 1 363.889 3.212 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000437653152 500676478 /nfs/dbraw/zinc/67/64/78/500676478.db2.gz BFNOHWNFQCYJHM-QFBILLFUSA-N 1 1 372.444 3.100 20 30 FGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000443327740 500710803 /nfs/dbraw/zinc/71/08/03/500710803.db2.gz HPMIVTLHKFKUAZ-JXXFODFXSA-N 1 1 353.466 3.219 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437878124 500710946 /nfs/dbraw/zinc/71/09/46/500710946.db2.gz ORYUPDBEQISWJC-LPHOPBHVSA-N 1 1 355.482 3.239 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000437926685 500717685 /nfs/dbraw/zinc/71/76/85/500717685.db2.gz AQFPAXLMNRRVFG-WBAXXEDZSA-N 1 1 365.905 3.223 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000437992178 500726299 /nfs/dbraw/zinc/72/62/99/500726299.db2.gz JJNANAKUXQFPNM-JBACZVJFSA-N 1 1 371.525 3.274 20 30 FGEDMO C=CCOc1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1Cl ZINC000438260986 500760193 /nfs/dbraw/zinc/76/01/93/500760193.db2.gz SJSVBRCWMARLRP-OAHLLOKOSA-N 1 1 352.906 3.182 20 30 FGEDMO Cc1cc(C[NH2+]CCCN2CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000443984798 500787535 /nfs/dbraw/zinc/78/75/35/500787535.db2.gz TUVFLNQYWXKFHX-UHFFFAOYSA-N 1 1 362.521 3.164 20 30 FGEDMO C[C@H]1C[C@@]1(C#N)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000448620983 500787691 /nfs/dbraw/zinc/78/76/91/500787691.db2.gz HFUYROGVWWZQHU-KSSFIOAISA-N 1 1 365.399 3.289 20 30 FGEDMO C[C@H]1C[C@@]1(C#N)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000448620983 500787693 /nfs/dbraw/zinc/78/76/93/500787693.db2.gz HFUYROGVWWZQHU-KSSFIOAISA-N 1 1 365.399 3.289 20 30 FGEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(C#N)n1C ZINC000448708480 500810529 /nfs/dbraw/zinc/81/05/29/500810529.db2.gz LMYCQMIOUBAUDV-INIZCTEOSA-N 1 1 350.466 3.201 20 30 FGEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000444226496 500819956 /nfs/dbraw/zinc/81/99/56/500819956.db2.gz NFSDSTIUOHFQCH-DFQSSKMNSA-N 1 1 355.482 3.412 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434354008 500831248 /nfs/dbraw/zinc/83/12/48/500831248.db2.gz CFCJQMZUKFFIQW-LJQANCHMSA-N 1 1 372.469 3.309 20 30 FGEDMO Cc1ccc([C@@]2(C)CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000434749976 500889260 /nfs/dbraw/zinc/88/92/60/500889260.db2.gz ZUVZDEMQIKAVAR-IRLDBZIGSA-N 1 1 350.462 3.270 20 30 FGEDMO C=CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)c1ccccc1 ZINC000434992158 500920741 /nfs/dbraw/zinc/92/07/41/500920741.db2.gz SVEVNDIISJZVBB-PMACEKPBSA-N 1 1 359.514 3.350 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)c3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000439946136 500958304 /nfs/dbraw/zinc/95/83/04/500958304.db2.gz ULGPGYGUTYNWBN-IAGOWNOFSA-N 1 1 363.461 3.444 20 30 FGEDMO N#CCCCn1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000435656979 501007156 /nfs/dbraw/zinc/00/71/56/501007156.db2.gz SRFQZKPQADDOIZ-INIZCTEOSA-N 1 1 350.466 3.159 20 30 FGEDMO COc1cc(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)ccc1C#N ZINC000449469955 501010899 /nfs/dbraw/zinc/01/08/99/501010899.db2.gz JCAGVMWQTORPAG-UHFFFAOYSA-N 1 1 351.454 3.419 20 30 FGEDMO CCO[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000449497472 501018606 /nfs/dbraw/zinc/01/86/06/501018606.db2.gz KLZLGEYWYQZREN-VQIMIIECSA-N 1 1 353.470 3.106 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)ccc1OC ZINC000449673763 501058253 /nfs/dbraw/zinc/05/82/53/501058253.db2.gz QFFWGXCVRJWWCO-PBHICJAKSA-N 1 1 359.388 3.395 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000449675157 501059556 /nfs/dbraw/zinc/05/95/56/501059556.db2.gz YKZASZSBMIBBEK-WCQYABFASA-N 1 1 352.278 3.322 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000449675157 501059558 /nfs/dbraw/zinc/05/95/58/501059558.db2.gz YKZASZSBMIBBEK-WCQYABFASA-N 1 1 352.278 3.322 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)[C@H](C)O1 ZINC000446067952 501068940 /nfs/dbraw/zinc/06/89/40/501068940.db2.gz 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C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442050554 501193679 /nfs/dbraw/zinc/19/36/79/501193679.db2.gz NBWDDHDREWZIQM-LBPRGKRZSA-N 1 1 370.375 3.453 20 30 FGEDMO C[C@H](CCC#N)C[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000602637036 506239955 /nfs/dbraw/zinc/23/99/55/506239955.db2.gz AHHHAAQZANGWMJ-MRXNPFEDSA-N 1 1 351.450 3.245 20 30 FGEDMO CC(C)[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000442171117 501203565 /nfs/dbraw/zinc/20/35/65/501203565.db2.gz MREHPFPVWDPKIR-CQSZACIVSA-N 1 1 370.375 3.261 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000450207510 501210043 /nfs/dbraw/zinc/21/00/43/501210043.db2.gz FLFNUPCKOBNVPC-QAPCUYQASA-N 1 1 350.466 3.225 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450301581 501229083 /nfs/dbraw/zinc/22/90/83/501229083.db2.gz JEGRXLZNKPREFH-ACJLOTCBSA-N 1 1 374.847 3.410 20 30 FGEDMO COC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1Cl ZINC000451052239 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ZINC000455770586 501382819 /nfs/dbraw/zinc/38/28/19/501382819.db2.gz XYISTHNDCQTAOW-CXAGYDPISA-N 1 1 369.856 3.391 20 30 FGEDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000458165553 501382863 /nfs/dbraw/zinc/38/28/63/501382863.db2.gz LCZFMYXOXJVPKM-KRWDZBQOSA-N 1 1 367.449 3.192 20 30 FGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@H]2C1 ZINC000455773317 501383322 /nfs/dbraw/zinc/38/33/22/501383322.db2.gz PLWCXYMKSTXGAZ-YOEHRIQHSA-N 1 1 356.470 3.293 20 30 FGEDMO N#C[C@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC12CCCC2 ZINC000451859848 501387308 /nfs/dbraw/zinc/38/73/08/501387308.db2.gz LIRJCDZUSDJZSD-QTEQDKRBSA-N 1 1 363.505 3.441 20 30 FGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455801435 501388769 /nfs/dbraw/zinc/38/87/69/501388769.db2.gz ZFHWLLQAJPEFEY-AWEZNQCLSA-N 1 1 369.856 3.345 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455801435 501388770 /nfs/dbraw/zinc/38/87/70/501388770.db2.gz 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GGHZKSZWWYGWSJ-RTBURBONSA-N 1 1 357.498 3.484 20 30 FGEDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000457058899 501642793 /nfs/dbraw/zinc/64/27/93/501642793.db2.gz QEMGANMXVOTIOG-UHFFFAOYSA-N 1 1 365.481 3.068 20 30 FGEDMO N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000459467568 501658973 /nfs/dbraw/zinc/65/89/73/501658973.db2.gz QEYQSEQGMWYJOI-RHSMWYFYSA-N 1 1 365.399 3.478 20 30 FGEDMO CCOC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(OCC)cc1 ZINC000459686424 501699252 /nfs/dbraw/zinc/69/92/52/501699252.db2.gz BNBBIFGASAIXKX-LJQANCHMSA-N 1 1 373.497 3.223 20 30 FGEDMO CCOC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(OCC)cc1 ZINC000459686424 501699254 /nfs/dbraw/zinc/69/92/54/501699254.db2.gz BNBBIFGASAIXKX-LJQANCHMSA-N 1 1 373.497 3.223 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)C1 ZINC000460050216 501725589 /nfs/dbraw/zinc/72/55/89/501725589.db2.gz IJGJAKMYCJLWRZ-BBRMVZONSA-N 1 1 354.841 3.172 20 30 FGEDMO C=CCOc1ccc(C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C(C)(C)C)cc1 ZINC000474175156 501731194 /nfs/dbraw/zinc/73/11/94/501731194.db2.gz KCMJPKQYMZXBCH-UHFFFAOYSA-N 1 1 373.497 3.182 20 30 FGEDMO COC[C@H]1CCCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000467299744 501764248 /nfs/dbraw/zinc/76/42/48/501764248.db2.gz WKZQOWODXDQLLF-KGLIPLIRSA-N 1 1 361.511 3.184 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)ccc1OC ZINC000467377440 501782008 /nfs/dbraw/zinc/78/20/08/501782008.db2.gz PJCBAMMYIUINRR-QKLQHJQFSA-N 1 1 359.466 3.424 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)ccc1OC ZINC000467377440 501782014 /nfs/dbraw/zinc/78/20/14/501782014.db2.gz PJCBAMMYIUINRR-QKLQHJQFSA-N 1 1 359.466 3.424 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C1=O ZINC000467520685 501815629 /nfs/dbraw/zinc/81/56/29/501815629.db2.gz JILCBVVGMKDPKN-IBGZPJMESA-N 1 1 350.466 3.068 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)c3ccccc3)nc2)C1=O ZINC000467520685 501815633 /nfs/dbraw/zinc/81/56/33/501815633.db2.gz JILCBVVGMKDPKN-IBGZPJMESA-N 1 1 350.466 3.068 20 30 FGEDMO C=C(C)[C@@H]([NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1)c1ccc(F)c(F)c1 ZINC000481593187 501825623 /nfs/dbraw/zinc/82/56/23/501825623.db2.gz CBWQFPQPMFNWCC-IIBYNOLFSA-N 1 1 372.415 3.292 20 30 FGEDMO C=CCSc1ccccc1C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000485463250 501827416 /nfs/dbraw/zinc/82/74/16/501827416.db2.gz HZYITZHTKTVHPW-UHFFFAOYSA-N 1 1 361.555 3.112 20 30 FGEDMO C=CCNC(=O)c1ccc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000470873691 501838344 /nfs/dbraw/zinc/83/83/44/501838344.db2.gz PFVYLAHAADYDLF-FQEVSTJZSA-N 1 1 364.493 3.098 20 30 FGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000481673298 501845381 /nfs/dbraw/zinc/84/53/81/501845381.db2.gz CSXPPOGPFHCOOD-AVRDEDQJSA-N 1 1 353.510 3.416 20 30 FGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000481673298 501845383 /nfs/dbraw/zinc/84/53/83/501845383.db2.gz CSXPPOGPFHCOOD-AVRDEDQJSA-N 1 1 353.510 3.416 20 30 FGEDMO C=C(C)C[N@@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1ccccc1 ZINC000470915361 501854587 /nfs/dbraw/zinc/85/45/87/501854587.db2.gz ZGKYXHZDZIVRQQ-UHFFFAOYSA-N 1 1 350.462 3.454 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000470916585 501854982 /nfs/dbraw/zinc/85/49/82/501854982.db2.gz JYAWYRQEVKBFPR-GOSISDBHSA-N 1 1 355.434 3.233 20 30 FGEDMO N#Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000481710306 501858567 /nfs/dbraw/zinc/85/85/67/501858567.db2.gz GWKICEDSRIBURU-GOSISDBHSA-N 1 1 352.413 3.483 20 30 FGEDMO C=C(C)C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C(=O)OC ZINC000602733823 506279271 /nfs/dbraw/zinc/27/92/71/506279271.db2.gz LFJKELNIBDUSOP-QGZVFWFLSA-N 1 1 364.873 3.042 20 30 FGEDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000602732232 506279342 /nfs/dbraw/zinc/27/93/42/506279342.db2.gz QWUXNAKZELKYGX-UHFFFAOYSA-N 1 1 351.425 3.400 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@](C)(O)CC2)c1C#N ZINC000471065780 501907570 /nfs/dbraw/zinc/90/75/70/501907570.db2.gz LWSNYNQSDCIHIR-NRFANRHFSA-N 1 1 372.513 3.267 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@](C)(O)CC2)c1C#N ZINC000471065780 501907575 /nfs/dbraw/zinc/90/75/75/501907575.db2.gz LWSNYNQSDCIHIR-NRFANRHFSA-N 1 1 372.513 3.267 20 30 FGEDMO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481924571 501920445 /nfs/dbraw/zinc/92/04/45/501920445.db2.gz PBJALGLXKRKJIU-GCJKJVERSA-N 1 1 354.542 3.189 20 30 FGEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000485784163 501935049 /nfs/dbraw/zinc/93/50/49/501935049.db2.gz MOXBOGFNRBOFEP-KKSFZXQISA-N 1 1 363.461 3.468 20 30 FGEDMO C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@H+]1CCC[C@H](C)C1 ZINC000468251996 502005765 /nfs/dbraw/zinc/00/57/65/502005765.db2.gz LNBYHIRQHDRCNO-LSDHHAIUSA-N 1 1 352.438 3.063 20 30 FGEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000485980752 502009309 /nfs/dbraw/zinc/00/93/09/502009309.db2.gz RXQBQWPEFAUKCV-UZLBHIALSA-N 1 1 363.461 3.468 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000471511212 502050012 /nfs/dbraw/zinc/05/00/12/502050012.db2.gz GSSOKAXBXHQPOC-FQEVSTJZSA-N 1 1 359.514 3.131 20 30 FGEDMO C=CCOc1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)cc1 ZINC000475092688 502054954 /nfs/dbraw/zinc/05/49/54/502054954.db2.gz URLNNBMNEYPLBM-ICSRJNTNSA-N 1 1 372.488 3.029 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1OCC ZINC000471796191 502138617 /nfs/dbraw/zinc/13/86/17/502138617.db2.gz COFPYBYTNZZTLR-OCCSQVGLSA-N 1 1 370.287 3.368 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1OCC ZINC000471796191 502138621 /nfs/dbraw/zinc/13/86/21/502138621.db2.gz COFPYBYTNZZTLR-OCCSQVGLSA-N 1 1 370.287 3.368 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000486420127 502148868 /nfs/dbraw/zinc/14/88/68/502148868.db2.gz ALKWMJAPUFNDFK-OAHLLOKOSA-N 1 1 368.403 3.212 20 30 FGEDMO N#Cc1ccc(SCC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000482702541 502156479 /nfs/dbraw/zinc/15/64/79/502156479.db2.gz CQQJWUIOXATSPI-UHFFFAOYSA-N 1 1 365.502 3.215 20 30 FGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000465224653 502220566 /nfs/dbraw/zinc/22/05/66/502220566.db2.gz ZJIWLBFFNAIUGW-YLJYHZDGSA-N 1 1 357.498 3.056 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000475589590 502221295 /nfs/dbraw/zinc/22/12/95/502221295.db2.gz SYEKRUVVPPSFHI-CALCHBBNSA-N 1 1 369.575 3.136 20 30 FGEDMO Cc1cc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)ccc1C#N ZINC000486697094 502234953 /nfs/dbraw/zinc/23/49/53/502234953.db2.gz JPLQJBAKQMMYQX-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO Cc1cc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)ccc1C#N ZINC000486697094 502234956 /nfs/dbraw/zinc/23/49/56/502234956.db2.gz JPLQJBAKQMMYQX-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO Cn1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(-c2ccncc2)n1 ZINC000582573330 506301707 /nfs/dbraw/zinc/30/17/07/506301707.db2.gz KQAFHNIGROERQF-UHFFFAOYSA-N 1 1 361.449 3.002 20 30 FGEDMO Cc1nc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(Cl)cc1C#N ZINC000461967839 502257575 /nfs/dbraw/zinc/25/75/75/502257575.db2.gz RLECIFGGTKCPPY-HDICACEKSA-N 1 1 352.869 3.483 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461983206 502262826 /nfs/dbraw/zinc/26/28/26/502262826.db2.gz IIWFTRAAOOBRBU-UHFFFAOYSA-N 1 1 370.409 3.007 20 30 FGEDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000472209251 502269994 /nfs/dbraw/zinc/26/99/94/502269994.db2.gz UFLOODXMPILWCC-UHFFFAOYSA-N 1 1 352.438 3.207 20 30 FGEDMO CC[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483172005 502301373 /nfs/dbraw/zinc/30/13/73/502301373.db2.gz KANJAMRNNUMBOZ-AEFFLSMTSA-N 1 1 369.383 3.207 20 30 FGEDMO CC[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483172005 502301377 /nfs/dbraw/zinc/30/13/77/502301377.db2.gz KANJAMRNNUMBOZ-AEFFLSMTSA-N 1 1 369.383 3.207 20 30 FGEDMO Cc1nc(-c2ccccc2)oc1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000602808321 506307947 /nfs/dbraw/zinc/30/79/47/506307947.db2.gz BMOIPZZCCVOKIQ-UHFFFAOYSA-N 1 1 359.433 3.239 20 30 FGEDMO Cc1cc(NC(=O)CCCC#N)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000462249737 502367078 /nfs/dbraw/zinc/36/70/78/502367078.db2.gz WBBIOAIURMVXQT-SFHVURJKSA-N 1 1 351.454 3.271 20 30 FGEDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469458478 502425538 /nfs/dbraw/zinc/42/55/38/502425538.db2.gz FZZXTOMHZXLLDT-QFBILLFUSA-N 1 1 352.482 3.357 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)c2cn(CCCC#N)c3ccccc23)CC[N@H+]1C ZINC000469471949 502429255 /nfs/dbraw/zinc/42/92/55/502429255.db2.gz FSNWULVQFXKOQF-IAGOWNOFSA-N 1 1 352.482 3.500 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCCn1cc[nH+]c1C ZINC000466006338 502451257 /nfs/dbraw/zinc/45/12/57/502451257.db2.gz NWXYCSUZUZOIJP-UHFFFAOYSA-N 1 1 371.441 3.278 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000469582479 502471385 /nfs/dbraw/zinc/47/13/85/502471385.db2.gz JIKRFLRTGRRJBT-YUMYIRISSA-N 1 1 368.521 3.481 20 30 FGEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469608287 502479482 /nfs/dbraw/zinc/47/94/82/502479482.db2.gz BUAOGVAUYVLFSJ-CYBMUJFWSA-N 1 1 364.287 3.222 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H]1C ZINC000469737455 502524686 /nfs/dbraw/zinc/52/46/86/502524686.db2.gz ZXPJPZLZYUUPMW-SJORKVTESA-N 1 1 352.482 3.500 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000487766897 502524829 /nfs/dbraw/zinc/52/48/29/502524829.db2.gz CXAXIEYBODVWPI-CVEARBPZSA-N 1 1 368.481 3.219 20 30 FGEDMO C=CCNc1ncc(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)s1 ZINC000462774140 502565448 /nfs/dbraw/zinc/56/54/48/502565448.db2.gz NOWKZLCBFZPVDD-UHFFFAOYSA-N 1 1 353.451 3.218 20 30 FGEDMO C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(C#N)cc1F ZINC000462843348 502596453 /nfs/dbraw/zinc/59/64/53/502596453.db2.gz TYHYULNRUVUFPA-CQSZACIVSA-N 1 1 373.453 3.088 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1OC ZINC000462862080 502603725 /nfs/dbraw/zinc/60/37/25/502603725.db2.gz NDAALKBEIBNNPO-HNNXBMFYSA-N 1 1 370.287 3.368 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](O)C2(C)C)cc1OC ZINC000462862080 502603726 /nfs/dbraw/zinc/60/37/26/502603726.db2.gz NDAALKBEIBNNPO-HNNXBMFYSA-N 1 1 370.287 3.368 20 30 FGEDMO Cc1ccc2ncc(C#N)c(NCc3cccc(C[NH+]4CCOCC4)c3)c2c1 ZINC000488111178 502630825 /nfs/dbraw/zinc/63/08/25/502630825.db2.gz OAOJNGXFEFWSEQ-UHFFFAOYSA-N 1 1 372.472 3.281 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000466778879 502674772 /nfs/dbraw/zinc/67/47/72/502674772.db2.gz QZGSIQWTUOSWQH-OXJNMPFZSA-N 1 1 354.498 3.209 20 30 FGEDMO C=CCn1c(SC[C@H]2CC[N@H+](C)C2)nnc1[C@@H]1COc2ccccc2O1 ZINC000473798711 502709743 /nfs/dbraw/zinc/70/97/43/502709743.db2.gz OMMGEAABTDXCSN-YOEHRIQHSA-N 1 1 372.494 3.020 20 30 FGEDMO CCOC(=O)c1coc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000474151133 502815648 /nfs/dbraw/zinc/81/56/48/502815648.db2.gz DSCGETDKUABCCF-UHFFFAOYSA-N 1 1 353.422 3.040 20 30 FGEDMO CCOC(=O)c1coc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000474151133 502815650 /nfs/dbraw/zinc/81/56/50/502815650.db2.gz DSCGETDKUABCCF-UHFFFAOYSA-N 1 1 353.422 3.040 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3cccc(C#N)c3C)cc2)CC1 ZINC000513048898 502838433 /nfs/dbraw/zinc/83/84/33/502838433.db2.gz ITOPLZUCUKBPCZ-UHFFFAOYSA-N 1 1 362.477 3.257 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)cc1 ZINC000602890254 506339077 /nfs/dbraw/zinc/33/90/77/506339077.db2.gz ZKFMLBTXMIWNIX-GOSISDBHSA-N 1 1 371.444 3.320 20 30 FGEDMO C=CCOc1ccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000509351020 502880545 /nfs/dbraw/zinc/88/05/45/502880545.db2.gz OZORIKDESNRNPI-IBGZPJMESA-N 1 1 357.498 3.125 20 30 FGEDMO C=CCCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000489112339 502882049 /nfs/dbraw/zinc/88/20/49/502882049.db2.gz CKTLKCQQGRKHAV-QGZVFWFLSA-N 1 1 350.528 3.447 20 30 FGEDMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)CC(=O)N1CCCCCC1 ZINC000513233304 502886051 /nfs/dbraw/zinc/88/60/51/502886051.db2.gz WVUCNHBTCSXVDD-UHFFFAOYSA-N 1 1 357.498 3.440 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ncccn1)CCC2 ZINC000602897458 506340719 /nfs/dbraw/zinc/34/07/19/506340719.db2.gz JPEGXTWWYOKUAV-OAHLLOKOSA-N 1 1 367.478 3.064 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ncccn1)CCC2 ZINC000602897458 506340726 /nfs/dbraw/zinc/34/07/26/506340726.db2.gz JPEGXTWWYOKUAV-OAHLLOKOSA-N 1 1 367.478 3.064 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)c2ccc(C#N)cc2F)[C@@H]1c1cnn(C)c1 ZINC000509615108 502949458 /nfs/dbraw/zinc/94/94/58/502949458.db2.gz DBAGBHYNZOPBLX-OXJNMPFZSA-N 1 1 355.461 3.340 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC ZINC000489426313 502954739 /nfs/dbraw/zinc/95/47/39/502954739.db2.gz MVYJVJGGMMUUAF-LPHOPBHVSA-N 1 1 358.482 3.408 20 30 FGEDMO C[C@@H](NC(=O)c1cccc(F)c1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000489452314 502962380 /nfs/dbraw/zinc/96/23/80/502962380.db2.gz TWPWHXICKDTGRD-NVXWUHKLSA-N 1 1 351.425 3.338 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COC(=O)c1cccc(C[N@@H+](Cc2ccccc2)[C@H](C)CCO)c1C#N ZINC000537858605 504067495 /nfs/dbraw/zinc/06/74/95/504067495.db2.gz YTZPRSBMSWYVDB-MRXNPFEDSA-N 1 1 352.434 3.118 20 30 FGEDMO N#Cc1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)s1 ZINC000530923441 504132278 /nfs/dbraw/zinc/13/22/78/504132278.db2.gz BLNPVJFLPCSAJY-UHFFFAOYSA-N 1 1 352.419 3.169 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000538149905 504146323 /nfs/dbraw/zinc/14/63/23/504146323.db2.gz JAANNXBTEVFTRE-OAHLLOKOSA-N 1 1 371.378 3.320 20 30 FGEDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1cc(C#N)ccc1F)C1CCOCC1 ZINC000519148859 504150672 /nfs/dbraw/zinc/15/06/72/504150672.db2.gz UHBKVMASUJEAMM-UHFFFAOYSA-N 1 1 362.445 3.410 20 30 FGEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000534473628 504152187 /nfs/dbraw/zinc/15/21/87/504152187.db2.gz GOOCAWMGGNDCJZ-LJQANCHMSA-N 1 1 373.460 3.320 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000531007394 504159593 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FGEDMO C=CCCC[C@H](C)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000538281285 504187206 /nfs/dbraw/zinc/18/72/06/504187206.db2.gz RMUIJXMTZBAAQB-BJLQDIEVSA-N 1 1 359.514 3.320 20 30 FGEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ncccc3Cl)CC2)c1 ZINC000528407555 504210489 /nfs/dbraw/zinc/21/04/89/504210489.db2.gz FEHXRUZURPDQIR-UHFFFAOYSA-N 1 1 354.841 3.457 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000547837984 504242988 /nfs/dbraw/zinc/24/29/88/504242988.db2.gz GSEYLLJJZNLRIY-VGSWGCGISA-N 1 1 367.493 3.239 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000547837984 504242994 /nfs/dbraw/zinc/24/29/94/504242994.db2.gz GSEYLLJJZNLRIY-VGSWGCGISA-N 1 1 367.493 3.239 20 30 FGEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000528511191 504253868 /nfs/dbraw/zinc/25/38/68/504253868.db2.gz DRYFBGBXROPYBP-HKUYNNGSSA-N 1 1 372.852 3.105 20 30 FGEDMO COc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000534838605 504255032 /nfs/dbraw/zinc/25/50/32/504255032.db2.gz HBGJJBVAJKSEDY-UHFFFAOYSA-N 1 1 369.852 3.260 20 30 FGEDMO COc1ccc2c(c1)CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000534838605 504255038 /nfs/dbraw/zinc/25/50/38/504255038.db2.gz HBGJJBVAJKSEDY-UHFFFAOYSA-N 1 1 369.852 3.260 20 30 FGEDMO COc1cc(C#N)ccc1C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541954325 504314555 /nfs/dbraw/zinc/31/45/55/504314555.db2.gz JWMULHIDSUHBRV-MRXNPFEDSA-N 1 1 350.340 3.409 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000519768575 504332677 /nfs/dbraw/zinc/33/26/77/504332677.db2.gz HWAFFBZXULYSFY-UHFFFAOYSA-N 1 1 352.394 3.213 20 30 FGEDMO C=CC[N@H+](Cc1cnn(CCC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538731986 504349312 /nfs/dbraw/zinc/34/93/12/504349312.db2.gz DMOSEIBSXOIWIN-INIZCTEOSA-N 1 1 351.458 3.018 20 30 FGEDMO C=C(C)COc1cc(C[N@H+](C)CC(=O)NCc2cccs2)ccc1OC ZINC000538740326 504354228 /nfs/dbraw/zinc/35/42/28/504354228.db2.gz FPVNVRGXVCUSSE-UHFFFAOYSA-N 1 1 374.506 3.460 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+](C)CC(=O)NCc2cccs2)ccc1OC ZINC000538740326 504354232 /nfs/dbraw/zinc/35/42/32/504354232.db2.gz FPVNVRGXVCUSSE-UHFFFAOYSA-N 1 1 374.506 3.460 20 30 FGEDMO Cn1cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000528739546 504358886 /nfs/dbraw/zinc/35/88/86/504358886.db2.gz LBCCVFNGFKLVQX-UHFFFAOYSA-N 1 1 370.460 3.184 20 30 FGEDMO Cn1cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000528739546 504358888 /nfs/dbraw/zinc/35/88/88/504358888.db2.gz LBCCVFNGFKLVQX-UHFFFAOYSA-N 1 1 370.460 3.184 20 30 FGEDMO O=c1ccc([C@@H]2CCC[N@H+]2CC#Cc2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000528793582 504384137 /nfs/dbraw/zinc/38/41/37/504384137.db2.gz NZHQEWWKZQLCDX-INIZCTEOSA-N 1 1 363.339 3.269 20 30 FGEDMO O=c1ccc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000528793582 504384142 /nfs/dbraw/zinc/38/41/42/504384142.db2.gz NZHQEWWKZQLCDX-INIZCTEOSA-N 1 1 363.339 3.269 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC000545193886 504391467 /nfs/dbraw/zinc/39/14/67/504391467.db2.gz SZJSLVZVQYKUPE-DYESRHJHSA-N 1 1 359.473 3.227 20 30 FGEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531680789 504392056 /nfs/dbraw/zinc/39/20/56/504392056.db2.gz SHVLKLDMJBTKMP-WOJBJXKFSA-N 1 1 357.498 3.028 20 30 FGEDMO CC[C@@H](Nc1nccc(C)c1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000542210540 504407999 /nfs/dbraw/zinc/40/79/99/504407999.db2.gz BXRXQVNBAQUOHV-UXHICEINSA-N 1 1 350.466 3.353 20 30 FGEDMO CC[C@@H](Nc1nccc(C)c1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000542210540 504408007 /nfs/dbraw/zinc/40/80/07/504408007.db2.gz BXRXQVNBAQUOHV-UXHICEINSA-N 1 1 350.466 3.353 20 30 FGEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000542254957 504424981 /nfs/dbraw/zinc/42/49/81/504424981.db2.gz PSAQPYMXCZENFC-NBCNXNJRSA-N 1 1 366.461 3.390 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000545294502 504432834 /nfs/dbraw/zinc/43/28/34/504432834.db2.gz AKZNXBCQEBILIV-CRAIPNDOSA-N 1 1 354.454 3.047 20 30 FGEDMO Cc1c(Cl)cnc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1C#N ZINC000542277924 504436833 /nfs/dbraw/zinc/43/68/33/504436833.db2.gz FXCMOUXULCLRAT-QGZVFWFLSA-N 1 1 354.885 3.314 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cc1cccc(C#N)c1 ZINC000531860073 504448848 /nfs/dbraw/zinc/44/88/48/504448848.db2.gz USZAZXCBPIYZNZ-CYGODWOOSA-N 1 1 361.489 3.374 20 30 FGEDMO N#Cc1ccc(OC2CCC(Nc3cc[nH+]cc3Br)CC2)nc1 ZINC000548490661 504464914 /nfs/dbraw/zinc/46/49/14/504464914.db2.gz NBHAPQCEROODDD-UHFFFAOYSA-N 1 1 373.254 3.335 20 30 FGEDMO CCC[C@H]1CN(C(=O)Cc2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1 ZINC000528970801 504474288 /nfs/dbraw/zinc/47/42/88/504474288.db2.gz NXCVJIDTNZNOPJ-NRFANRHFSA-N 1 1 362.477 3.009 20 30 FGEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000539241550 504509011 /nfs/dbraw/zinc/50/90/11/504509011.db2.gz XAMFPUNTVUAVLU-NHCUHLMSSA-N 1 1 370.541 3.152 20 30 FGEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc(COC)c(C#N)c2)C1 ZINC000529209969 504585385 /nfs/dbraw/zinc/58/53/85/504585385.db2.gz BTHAPJYTVMSLQX-GOSISDBHSA-N 1 1 367.453 3.333 20 30 FGEDMO COCc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1C#N ZINC000529212422 504586946 /nfs/dbraw/zinc/58/69/46/504586946.db2.gz LORWADQQGFTFBI-PMACEKPBSA-N 1 1 364.449 3.272 20 30 FGEDMO COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000539587666 504618198 /nfs/dbraw/zinc/61/81/98/504618198.db2.gz CKNHXJSELCMPQD-QGZVFWFLSA-N 1 1 363.889 3.112 20 30 FGEDMO CCOc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000545865821 504619494 /nfs/dbraw/zinc/61/94/94/504619494.db2.gz NLQUMTSEIQVLDJ-UHFFFAOYSA-N 1 1 366.421 3.187 20 30 FGEDMO N#CCC1CC[NH+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000542878685 504644954 /nfs/dbraw/zinc/64/49/54/504644954.db2.gz HBSWLWRIQVJLSN-UHFFFAOYSA-N 1 1 357.351 3.086 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)[NH+](C)C ZINC000539749511 504674609 /nfs/dbraw/zinc/67/46/09/504674609.db2.gz AFLFYUOMWVULSM-KRWDZBQOSA-N 1 1 357.841 3.253 20 30 FGEDMO C[C@@H](C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000543023328 504694580 /nfs/dbraw/zinc/69/45/80/504694580.db2.gz UITXBXAONQMQMI-MJBXVCDLSA-N 1 1 371.872 3.019 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(-c2ccccc2)n1 ZINC000539890648 504731358 /nfs/dbraw/zinc/73/13/58/504731358.db2.gz BFVMOHZMKHTWEW-AZUAARDMSA-N 1 1 350.466 3.465 20 30 FGEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000543138796 504739198 /nfs/dbraw/zinc/73/91/98/504739198.db2.gz INGYMYZAYVVCDO-KRWDZBQOSA-N 1 1 361.367 3.105 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532700999 504740475 /nfs/dbraw/zinc/74/04/75/504740475.db2.gz TYIUWQWHMGDYKT-NTDBWNAOSA-N 1 1 354.498 3.222 20 30 FGEDMO N#Cc1ccc2ncc(C[NH+]3CCC(Oc4cccc(F)c4)CC3)n2c1 ZINC000529636821 504749459 /nfs/dbraw/zinc/74/94/59/504749459.db2.gz IHJTUMRHRJISHF-UHFFFAOYSA-N 1 1 350.397 3.388 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)cc1 ZINC000532902408 504772254 /nfs/dbraw/zinc/77/22/54/504772254.db2.gz XQWMXNIXPOCEIB-UHFFFAOYSA-N 1 1 366.421 3.187 20 30 FGEDMO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000549250562 504773636 /nfs/dbraw/zinc/77/36/36/504773636.db2.gz YZWXJZRZHJEFBK-LJQANCHMSA-N 1 1 364.497 3.169 20 30 FGEDMO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000559092422 504780462 /nfs/dbraw/zinc/78/04/62/504780462.db2.gz BZRSNFDEMNFOPH-RBSFLKMASA-N 1 1 357.483 3.169 20 30 FGEDMO CCCc1c(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cnn1-c1cccc(C#N)c1 ZINC000565150690 504808711 /nfs/dbraw/zinc/80/87/11/504808711.db2.gz IHWMPYMBSIQMFM-FQEVSTJZSA-N 1 1 363.465 3.262 20 30 FGEDMO CCCc1c(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cnn1-c1cccc(C#N)c1 ZINC000565150690 504808715 /nfs/dbraw/zinc/80/87/15/504808715.db2.gz IHWMPYMBSIQMFM-FQEVSTJZSA-N 1 1 363.465 3.262 20 30 FGEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000549613784 504860538 /nfs/dbraw/zinc/86/05/38/504860538.db2.gz XTKYQERGJFEIMG-OAHLLOKOSA-N 1 1 357.483 3.392 20 30 FGEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000549613784 504860542 /nfs/dbraw/zinc/86/05/42/504860542.db2.gz XTKYQERGJFEIMG-OAHLLOKOSA-N 1 1 357.483 3.392 20 30 FGEDMO C=CCn1c(Cc2ccsc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000556445219 504876234 /nfs/dbraw/zinc/87/62/34/504876234.db2.gz TWZARNVVCYKLHX-UHFFFAOYSA-N 1 1 359.543 3.427 20 30 FGEDMO N#Cc1cccc(CNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000553449834 504918080 /nfs/dbraw/zinc/91/80/80/504918080.db2.gz AGWBPTXUJSQPIK-HSZRJFAPSA-N 1 1 374.488 3.366 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000560149471 505004576 /nfs/dbraw/zinc/00/45/76/505004576.db2.gz ZVMHHCAZWBXWQW-HSZRJFAPSA-N 1 1 374.488 3.390 20 30 FGEDMO N#Cc1cccc(C2(NC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000560165626 505008223 /nfs/dbraw/zinc/00/82/23/505008223.db2.gz GMUGIQRZMDVSMO-QFIPXVFZSA-N 1 1 361.489 3.428 20 30 FGEDMO N#Cc1cccc(C2([NH2+]C[C@H]3CN(Cc4ccccc4)CCCO3)CC2)c1 ZINC000560165626 505008225 /nfs/dbraw/zinc/00/82/25/505008225.db2.gz GMUGIQRZMDVSMO-QFIPXVFZSA-N 1 1 361.489 3.428 20 30 FGEDMO C=CCSCCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553843507 505023623 /nfs/dbraw/zinc/02/36/23/505023623.db2.gz PLIFYMFVHJOZPK-FQEVSTJZSA-N 1 1 359.539 3.213 20 30 FGEDMO CC(C)(C#N)CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000553914091 505042186 /nfs/dbraw/zinc/04/21/86/505042186.db2.gz WAQOOWXPABQSBI-OXQOHEQNSA-N 1 1 351.454 3.425 20 30 FGEDMO C=C[C@@](C)(O)CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000565981668 505044122 /nfs/dbraw/zinc/04/41/22/505044122.db2.gz JOMXXUFGWCEVMS-HSZRJFAPSA-N 1 1 362.473 3.228 20 30 FGEDMO N#Cc1cccc(NC(=O)CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000560492178 505102954 /nfs/dbraw/zinc/10/29/54/505102954.db2.gz RAMCIDIOBPVIOV-HSZRJFAPSA-N 1 1 374.488 3.095 20 30 FGEDMO C=CC[N@H+](Cc1sccc1OC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000560524079 505113338 /nfs/dbraw/zinc/11/33/38/505113338.db2.gz NWDKGIYXMVSORP-CQSZACIVSA-N 1 1 355.467 3.482 20 30 FGEDMO CN1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H]2CCC[C@H]21 ZINC000560523857 505113950 /nfs/dbraw/zinc/11/39/50/505113950.db2.gz FTZHELOGWPAMEK-LCLWPZTBSA-N 1 1 356.489 3.129 20 30 FGEDMO N#Cc1cccc(CC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000563465900 505147724 /nfs/dbraw/zinc/14/77/24/505147724.db2.gz ZQCPOOKHSZOVAS-QHCPKHFHSA-N 1 1 359.473 3.225 20 30 FGEDMO C=CCn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000557525639 505156281 /nfs/dbraw/zinc/15/62/81/505156281.db2.gz PYMHHVJVHNLWTH-UHFFFAOYSA-N 1 1 355.486 3.487 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000557659850 505195911 /nfs/dbraw/zinc/19/59/11/505195911.db2.gz FYASSIOTSPRNHL-MRXNPFEDSA-N 1 1 373.472 3.332 20 30 FGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(N2CCCC2=O)c1 ZINC000566564409 505206987 /nfs/dbraw/zinc/20/69/87/505206987.db2.gz POBNOJCXTDNQRZ-CQSZACIVSA-N 1 1 364.405 3.444 20 30 FGEDMO C[NH+](C)Cc1ccc(NCc2nc(C#N)cs2)cc1Br ZINC000566708572 505249685 /nfs/dbraw/zinc/24/96/85/505249685.db2.gz OXXHFIMVXIFMLU-UHFFFAOYSA-N 1 1 351.273 3.451 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(-c2ccncc2)n1 ZINC000566716497 505252047 /nfs/dbraw/zinc/25/20/47/505252047.db2.gz IKQAMGOVRXYNME-RTBURBONSA-N 1 1 365.481 3.107 20 30 FGEDMO N#Cc1ccncc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000557905359 505259982 /nfs/dbraw/zinc/25/99/82/505259982.db2.gz FIEHJBDIIJJXQX-FPOVZHCZSA-N 1 1 360.461 3.080 20 30 FGEDMO C[C@H](NC(=O)c1ccc(F)c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000551612094 505266829 /nfs/dbraw/zinc/26/68/29/505266829.db2.gz MCOOVVLSNUYXED-YJBOKZPZSA-N 1 1 351.425 3.338 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C#N)c1C ZINC000554849409 505281266 /nfs/dbraw/zinc/28/12/66/505281266.db2.gz ZTXZIMONLLGBEG-UHFFFAOYSA-N 1 1 372.450 3.258 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C#N)c1C ZINC000554849409 505281269 /nfs/dbraw/zinc/28/12/69/505281269.db2.gz ZTXZIMONLLGBEG-UHFFFAOYSA-N 1 1 372.450 3.258 20 30 FGEDMO COc1cccc([C@@H]2[C@H](Nc3nccc(C#N)c3Cl)CC[N@H+]2C2CC2)c1 ZINC000561291573 505305986 /nfs/dbraw/zinc/30/59/86/505305986.db2.gz QJEMVKULBCSTPG-IEBWSBKVSA-N 1 1 368.868 3.427 20 30 FGEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000567093363 505361947 /nfs/dbraw/zinc/36/19/47/505361947.db2.gz WPFJUXIXFGSHIX-QGZVFWFLSA-N 1 1 372.513 3.231 20 30 FGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)C12CCCCC2 ZINC000555153828 505365912 /nfs/dbraw/zinc/36/59/12/505365912.db2.gz XUZUHYSISUGZAN-ZWKOTPCHSA-N 1 1 361.530 3.389 20 30 FGEDMO C=CCn1c(COCC)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000564383422 505401513 /nfs/dbraw/zinc/40/15/13/505401513.db2.gz SBOVQKSBQCNJRI-QZTJIDSGSA-N 1 1 369.513 3.100 20 30 FGEDMO CC[N@@H+](CCNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)CCC(F)(F)F ZINC000552202598 505427347 /nfs/dbraw/zinc/42/73/47/505427347.db2.gz DQKNCKGKCGGMCJ-UHFFFAOYSA-N 1 1 373.394 3.365 20 30 FGEDMO C=CCOc1ccc(Cc2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000567324915 505428207 /nfs/dbraw/zinc/42/82/07/505428207.db2.gz MIHOYDPBSYFARW-FXAWDEMLSA-N 1 1 355.438 3.151 20 30 FGEDMO C=CCOc1ccc(Cc2nc([C@@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000567324915 505428212 /nfs/dbraw/zinc/42/82/12/505428212.db2.gz MIHOYDPBSYFARW-FXAWDEMLSA-N 1 1 355.438 3.151 20 30 FGEDMO C=CCN(C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1nc2c(s1)CCCC2 ZINC000555509730 505443556 /nfs/dbraw/zinc/44/35/56/505443556.db2.gz UTNYOXZXCYOAMY-CQSZACIVSA-N 1 1 356.495 3.308 20 30 FGEDMO CC1([N@@H+](CC(=O)NC2(C#N)CCC2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000561864581 505454019 /nfs/dbraw/zinc/45/40/19/505454019.db2.gz HEOFFQLXTSONMY-UHFFFAOYSA-N 1 1 369.465 3.112 20 30 FGEDMO C=C(C)Cn1c(C2CCCC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000564624150 505472839 /nfs/dbraw/zinc/47/28/39/505472839.db2.gz NYALPAAEWCNNOR-KRWDZBQOSA-N 1 1 373.545 3.201 20 30 FGEDMO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(Br)cn1 ZINC000567530136 505489644 /nfs/dbraw/zinc/48/96/44/505489644.db2.gz BUMBHONSJJGCBC-LLVKDONJSA-N 1 1 356.227 3.214 20 30 FGEDMO CC(C)[C@@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000555712561 505497592 /nfs/dbraw/zinc/49/75/92/505497592.db2.gz SKYAEMVRZGFVFS-KUHUBIRLSA-N 1 1 363.889 3.269 20 30 FGEDMO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000564707350 505497648 /nfs/dbraw/zinc/49/76/48/505497648.db2.gz KWDGYSDIQKYQKP-MAUKXSAKSA-N 1 1 350.470 3.071 20 30 FGEDMO C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000564723934 505503080 /nfs/dbraw/zinc/50/30/80/505503080.db2.gz FYPVGRXZWHIMMT-GSEOLPGOSA-N 1 1 354.498 3.279 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2CC2CCC2)cc1Cl ZINC000555759513 505509149 /nfs/dbraw/zinc/50/91/49/505509149.db2.gz MJYFWPZAFPPHEB-KRWDZBQOSA-N 1 1 361.873 3.431 20 30 FGEDMO Cn1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000555761853 505509754 /nfs/dbraw/zinc/50/97/54/505509754.db2.gz NUZYMOSROUPCFA-FQEVSTJZSA-N 1 1 350.466 3.350 20 30 FGEDMO C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000558964377 505540718 /nfs/dbraw/zinc/54/07/18/505540718.db2.gz HALQWEWBVLEERK-UHFFFAOYSA-N 1 1 369.513 3.308 20 30 FGEDMO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[NH+](C2CC2)CC1 ZINC000558992675 505546857 /nfs/dbraw/zinc/54/68/57/505546857.db2.gz ZLPBKPJWTLEDJN-UHFFFAOYSA-N 1 1 371.916 3.383 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919887 505558082 /nfs/dbraw/zinc/55/80/82/505558082.db2.gz BHKAHKWZIDPWLV-BBRMVZONSA-N 1 1 354.841 3.423 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919887 505558084 /nfs/dbraw/zinc/55/80/84/505558084.db2.gz BHKAHKWZIDPWLV-BBRMVZONSA-N 1 1 354.841 3.423 20 30 FGEDMO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1C#N ZINC000599263817 506389209 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COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000588978174 506402538 /nfs/dbraw/zinc/40/25/38/506402538.db2.gz NUOYHVZHAGPVGD-FUHWJXTLSA-N 1 1 355.482 3.452 20 30 FGEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000599303958 506405523 /nfs/dbraw/zinc/40/55/23/506405523.db2.gz NOMLOGRELOGOKG-UYAOXDASSA-N 1 1 354.475 3.088 20 30 FGEDMO COCC[C@@](C)(C#N)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000589039076 506418886 /nfs/dbraw/zinc/41/88/86/506418886.db2.gz VPSCALPASZSSEH-QFIPXVFZSA-N 1 1 365.477 3.367 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@](C)(C#N)C1 ZINC000596485405 506428044 /nfs/dbraw/zinc/42/80/44/506428044.db2.gz HMXDHAHOPRAZJD-QRKMNUTDSA-N 1 1 354.498 3.088 20 30 FGEDMO CC(C)(CNC(=O)N1CCC[C@](C)(C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000612098354 506434146 /nfs/dbraw/zinc/43/41/46/506434146.db2.gz PCWZJTOEXJJANV-OAQYLSRUSA-N 1 1 354.498 3.159 20 30 FGEDMO C[C@@H]1C[C@H](CCNC(=O)N2CC[C@@](C)(C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000596506834 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/nfs/dbraw/zinc/70/86/36/507708636.db2.gz WYCLQRNNAIOYBW-RBSFLKMASA-N 1 1 373.522 3.041 20 30 FGEDMO N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000595896146 507732577 /nfs/dbraw/zinc/73/25/77/507732577.db2.gz HAVXCSMWPCRNSU-JQHSSLGASA-N 1 1 367.415 3.438 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CCOc3cccc(C#N)c3)C2)s1 ZINC000595916121 507742714 /nfs/dbraw/zinc/74/27/14/507742714.db2.gz UYCBCBNGZJXQQP-OAHLLOKOSA-N 1 1 371.462 3.060 20 30 FGEDMO CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000615092364 507750234 /nfs/dbraw/zinc/75/02/34/507750234.db2.gz YCMSIYLBWMQZAR-KRWDZBQOSA-N 1 1 362.477 3.395 20 30 FGEDMO N#CC1(CNC(=O)[C@H]([NH3+])c2ccccc2Br)CCCCC1 ZINC000595943737 507750704 /nfs/dbraw/zinc/75/07/04/507750704.db2.gz NTTZVDGGMLTGLG-CQSZACIVSA-N 1 1 350.260 3.039 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(C(=O)C=Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000822478572 606340026 /nfs/dbraw/zinc/34/00/26/606340026.db2.gz ULPAJNKUDSCGFI-YHYXMXQVSA-N 1 1 356.389 3.257 20 30 FGEDMO COc1cc(C#N)ccc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826176848 608464182 /nfs/dbraw/zinc/46/41/82/608464182.db2.gz HDSOLYVDNYFNGA-UHFFFAOYSA-N 1 1 372.432 3.036 20 30 FGEDMO CC(N=Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823958800 609515955 /nfs/dbraw/zinc/51/59/55/609515955.db2.gz XGCJNZKJQXDWRM-GOSISDBHSA-N 1 1 361.453 3.177 20 30 FGEDMO C#CCOc1ccc(Br)cc1CNC[C@@H]1CCC[N@@H+]1CC ZINC000041635174 695764950 /nfs/dbraw/zinc/76/49/50/695764950.db2.gz WSJMXACIHJRHCN-INIZCTEOSA-N 1 1 351.288 3.035 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCN1CC ZINC000041635174 695764953 /nfs/dbraw/zinc/76/49/53/695764953.db2.gz WSJMXACIHJRHCN-INIZCTEOSA-N 1 1 351.288 3.035 20 30 FGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000114188061 700576108 /nfs/dbraw/zinc/57/61/08/700576108.db2.gz MMDNAHBYGIINSL-JKSUJKDBSA-N 1 1 361.511 3.062 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175958697 705565685 /nfs/dbraw/zinc/56/56/85/705565685.db2.gz LDBLAMWUFMBKAV-TZMCWYRMSA-N 1 1 372.332 3.339 20 30 FGEDMO CS(=O)(=O)c1ccc(OCCCO[NH+]=C(N)C2CCCCCC2)cc1 ZINC000179003831 705685015 /nfs/dbraw/zinc/68/50/15/705685015.db2.gz GVVJIFKAAGCBAD-UHFFFAOYSA-N 1 1 368.499 3.118 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193588799 712896781 /nfs/dbraw/zinc/89/67/81/712896781.db2.gz SNGMWQFHBGVJCI-CVEARBPZSA-N 1 1 358.511 3.254 20 30 FGEDMO CN1CC[C@H](CNC(=[NH2+])NCC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261926007 713715752 /nfs/dbraw/zinc/71/57/52/713715752.db2.gz AZTUXOWQZZOLOR-PBHICJAKSA-N 1 1 352.885 3.176 20 30 FGEDMO C=CCOc1c(Br)cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414909076 714005677 /nfs/dbraw/zinc/00/56/77/714005677.db2.gz BVZJGXWYWLPTKW-ZIAGYGMSSA-N 1 1 369.303 3.382 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)C2COC2)cc1OC ZINC000449425400 714043090 /nfs/dbraw/zinc/04/30/90/714043090.db2.gz MMEAJOZIPVEXBF-UHFFFAOYSA-N 1 1 356.260 3.243 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+](CC)C2COC2)cc1OC ZINC000449425400 714043093 /nfs/dbraw/zinc/04/30/93/714043093.db2.gz MMEAJOZIPVEXBF-UHFFFAOYSA-N 1 1 356.260 3.243 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000525229417 714334158 /nfs/dbraw/zinc/33/41/58/714334158.db2.gz NNBDUMIXFAEPMQ-LBPRGKRZSA-N 1 1 354.376 3.429 20 30 FGEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1)C1CC1 ZINC000579546489 714493881 /nfs/dbraw/zinc/49/38/81/714493881.db2.gz LZYSHJBOXJCESR-FUHWJXTLSA-N 1 1 363.914 3.315 20 30 FGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1)C1CC1 ZINC000579546489 714493883 /nfs/dbraw/zinc/49/38/83/714493883.db2.gz LZYSHJBOXJCESR-FUHWJXTLSA-N 1 1 363.914 3.315 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1)C1CC1 ZINC000579546491 714493927 /nfs/dbraw/zinc/49/39/27/714493927.db2.gz LZYSHJBOXJCESR-WMZOPIPTSA-N 1 1 363.914 3.315 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1)C1CC1 ZINC000579546491 714493928 /nfs/dbraw/zinc/49/39/28/714493928.db2.gz LZYSHJBOXJCESR-WMZOPIPTSA-N 1 1 363.914 3.315 20 30 FGEDMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@](F)(C#N)C3)c2c1C ZINC000615532149 714533072 /nfs/dbraw/zinc/53/30/72/714533072.db2.gz VSCVLLVLXPINQS-GOSISDBHSA-N 1 1 359.474 3.346 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000779166202 724397272 /nfs/dbraw/zinc/39/72/72/724397272.db2.gz ULHVCBJLEBLUOC-INIZCTEOSA-N 1 1 363.885 3.370 20 30 FGEDMO C=C(C)CS(=O)(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625535578 715747264 /nfs/dbraw/zinc/74/72/64/715747264.db2.gz SHJYPURRCOCLMC-CQSZACIVSA-N 1 1 351.299 3.092 20 30 FGEDMO COc1ccccc1NC(=S)NN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000779758239 724425277 /nfs/dbraw/zinc/42/52/77/724425277.db2.gz KYZFOLYEDYIVBP-UHFFFAOYSA-N 1 1 374.432 3.386 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)cc1OC ZINC000628117477 716111010 /nfs/dbraw/zinc/11/10/10/716111010.db2.gz KFMCQJSIVSPVLO-HNNXBMFYSA-N 1 1 366.889 3.262 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1OC ZINC000628319134 716138592 /nfs/dbraw/zinc/13/85/92/716138592.db2.gz NGKCCGCGBKZZOM-OAHLLOKOSA-N 1 1 362.861 3.342 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1OC ZINC000628319134 716138594 /nfs/dbraw/zinc/13/85/94/716138594.db2.gz NGKCCGCGBKZZOM-OAHLLOKOSA-N 1 1 362.861 3.342 20 30 FGEDMO C=CC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)c(C)c2)n1 ZINC000639044333 717508467 /nfs/dbraw/zinc/50/84/67/717508467.db2.gz KUIJYJWIIDWBHK-MRXNPFEDSA-N 1 1 359.495 3.471 20 30 FGEDMO C=CCCn1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nn1 ZINC000653665017 719072815 /nfs/dbraw/zinc/07/28/15/719072815.db2.gz KJYVRBZUNIJICH-QGZVFWFLSA-N 1 1 359.543 3.178 20 30 FGEDMO CSc1nc(-c2ccccc2)nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1C#N ZINC001164637200 719215708 /nfs/dbraw/zinc/21/57/08/719215708.db2.gz LQQWFJBVHMNBNR-KGLIPLIRSA-N 1 1 353.495 3.266 20 30 FGEDMO C=CCCn1cc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)nn1 ZINC000657438403 719650229 /nfs/dbraw/zinc/65/02/29/719650229.db2.gz PYKJNKVHZXOMPG-UHFFFAOYSA-N 1 1 360.259 3.388 20 30 FGEDMO Cc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1C#N ZINC001164696199 719895481 /nfs/dbraw/zinc/89/54/81/719895481.db2.gz BPSAMAFFOIPDPD-UHFFFAOYSA-N 1 1 368.506 3.195 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)nc2ccccc12 ZINC000782523429 724678716 /nfs/dbraw/zinc/67/87/16/724678716.db2.gz VVOPEJMJEUSRGG-UHFFFAOYSA-N 1 1 354.845 3.130 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(Cl)c(C#N)n1)[C@H]2C ZINC001164863267 720929246 /nfs/dbraw/zinc/92/92/46/720929246.db2.gz XXCLMSRPVYGZGB-ZDUSSCGKSA-N 1 1 358.877 3.225 20 30 FGEDMO C#CC[N@H+](C[C@H](C)COC)[C@H]1CCOc2ccc(Br)cc21 ZINC000783565978 724765900 /nfs/dbraw/zinc/76/59/00/724765900.db2.gz AANWIVDOFHIBHV-BBRMVZONSA-N 1 1 352.272 3.490 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000729811894 722462801 /nfs/dbraw/zinc/46/28/01/722462801.db2.gz FYIQAUFPGWDHET-GOSISDBHSA-N 1 1 361.869 3.029 20 30 FGEDMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000731645040 722476914 /nfs/dbraw/zinc/47/69/14/722476914.db2.gz FGCPOSKITWTFGE-HNNXBMFYSA-N 1 1 350.344 3.372 20 30 FGEDMO C=C(Br)CNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732061756 722481168 /nfs/dbraw/zinc/48/11/68/722481168.db2.gz AISPMNRGEMPYPR-OAHLLOKOSA-N 1 1 365.315 3.354 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000742060678 722551754 /nfs/dbraw/zinc/55/17/54/722551754.db2.gz UDLZKXPHIKKNLT-IAGOWNOFSA-N 1 1 351.277 3.264 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000756550111 722966682 /nfs/dbraw/zinc/96/66/82/722966682.db2.gz CHHYOXWCIZCNTM-INIZCTEOSA-N 1 1 357.841 3.089 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000756550111 722966683 /nfs/dbraw/zinc/96/66/83/722966683.db2.gz CHHYOXWCIZCNTM-INIZCTEOSA-N 1 1 357.841 3.089 20 30 FGEDMO C#C[C@@H](CCC)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000791744964 723276927 /nfs/dbraw/zinc/27/69/27/723276927.db2.gz FBZIMSBSJBBYRK-WMZOPIPTSA-N 1 1 352.400 3.359 20 30 FGEDMO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792939522 723384452 /nfs/dbraw/zinc/38/44/52/723384452.db2.gz GXTNBZYOQKKLNX-JTQLQIEISA-N 1 1 366.305 3.294 20 30 FGEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792939522 723384456 /nfs/dbraw/zinc/38/44/56/723384456.db2.gz GXTNBZYOQKKLNX-JTQLQIEISA-N 1 1 366.305 3.294 20 30 FGEDMO N#Cc1c(=O)n(C[NH2+]C2(c3nccs3)CCCC2)cc2c1CCCC2 ZINC000793512397 723445001 /nfs/dbraw/zinc/44/50/01/723445001.db2.gz RHYVOVKVWYFZDS-UHFFFAOYSA-N 1 1 354.479 3.072 20 30 FGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000796612635 723646582 /nfs/dbraw/zinc/64/65/82/723646582.db2.gz IJDKORQCCOJWAN-MSOLQXFVSA-N 1 1 351.535 3.358 20 30 FGEDMO CCc1cnc(N2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)s1 ZINC000769404140 723684758 /nfs/dbraw/zinc/68/47/58/723684758.db2.gz OCQJQFGBQXOSPS-OAHLLOKOSA-N 1 1 356.495 3.319 20 30 FGEDMO C#CC[N@@H+](Cc1cc(Br)cc(Br)c1N)C1CC1 ZINC000769555860 723689686 /nfs/dbraw/zinc/68/96/86/723689686.db2.gz FMNHDUAQZAWZFB-UHFFFAOYSA-N 1 1 358.077 3.391 20 30 FGEDMO C#CC[N@H+](Cc1cc(Br)cc(Br)c1N)C1CC1 ZINC000769555860 723689687 /nfs/dbraw/zinc/68/96/87/723689687.db2.gz FMNHDUAQZAWZFB-UHFFFAOYSA-N 1 1 358.077 3.391 20 30 FGEDMO CCOCCC[N@H+]1CCC(N=Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000769823039 723697080 /nfs/dbraw/zinc/69/70/80/723697080.db2.gz RPENEOBDCBLNGI-ZDUSSCGKSA-N 1 1 352.410 3.270 20 30 FGEDMO C#C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000775799978 724063519 /nfs/dbraw/zinc/06/35/19/724063519.db2.gz PWPPLBHXQYSGEI-CHWSQXEVSA-N 1 1 361.656 3.356 20 30 FGEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(C#N)cc1Br ZINC000778121126 724299877 /nfs/dbraw/zinc/29/98/77/724299877.db2.gz IWBSRPXBYRULCD-OAHLLOKOSA-N 1 1 351.244 3.238 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(C#N)cc1Br ZINC000778121126 724299879 /nfs/dbraw/zinc/29/98/79/724299879.db2.gz IWBSRPXBYRULCD-OAHLLOKOSA-N 1 1 351.244 3.238 20 30 FGEDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(C#N)cc1Br ZINC000778121125 724299925 /nfs/dbraw/zinc/29/99/25/724299925.db2.gz IWBSRPXBYRULCD-HNNXBMFYSA-N 1 1 351.244 3.238 20 30 FGEDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(C#N)cc1Br ZINC000778121125 724299927 /nfs/dbraw/zinc/29/99/27/724299927.db2.gz IWBSRPXBYRULCD-HNNXBMFYSA-N 1 1 351.244 3.238 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000801931615 724347101 /nfs/dbraw/zinc/34/71/01/724347101.db2.gz JRACQBCCQZJCLQ-ZFWWWQNUSA-N 1 1 360.845 3.498 20 30 FGEDMO C=CCSc1ccccc1NC(=O)COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785746605 724935156 /nfs/dbraw/zinc/93/51/56/724935156.db2.gz YCOIBNWTCDOBRW-HUUCEWRRSA-N 1 1 362.495 3.319 20 30 FGEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000789330164 725122727 /nfs/dbraw/zinc/12/27/27/725122727.db2.gz YUIKNZHLAZPVPX-QGZVFWFLSA-N 1 1 352.265 3.379 20 30 FGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000789330164 725122728 /nfs/dbraw/zinc/12/27/28/725122728.db2.gz YUIKNZHLAZPVPX-QGZVFWFLSA-N 1 1 352.265 3.379 20 30 FGEDMO C=C(Br)C[NH2+]Cc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000808386919 725198582 /nfs/dbraw/zinc/19/85/82/725198582.db2.gz LRYAPFHQROSUAS-UHFFFAOYSA-N 1 1 366.202 3.346 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000809663085 725257408 /nfs/dbraw/zinc/25/74/08/725257408.db2.gz KKKGOUXUCLISSU-AWEZNQCLSA-N 1 1 356.857 3.104 20 30 FGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)cc1 ZINC000809696473 725259822 /nfs/dbraw/zinc/25/98/22/725259822.db2.gz KMOWSIRVIRRBPX-QGZVFWFLSA-N 1 1 355.356 3.016 20 30 FGEDMO C#C[C@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000811869826 725383578 /nfs/dbraw/zinc/38/35/78/725383578.db2.gz ZHGLBSMWTLYTSU-IBGZPJMESA-N 1 1 353.853 3.329 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000811991266 725386848 /nfs/dbraw/zinc/38/68/48/725386848.db2.gz HIUYJFQGVZAAJU-HOTGVXAUSA-N 1 1 363.820 3.349 20 30 FGEDMO CC(N=Nc1ccnc(Br)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814904575 727010035 /nfs/dbraw/zinc/01/00/35/727010035.db2.gz PMHWRCPXVMHIRJ-UHFFFAOYSA-N 1 1 359.271 3.368 20 30 FGEDMO C#CC[N@@H+](C)CCCNc1ccc(-c2ccc(Br)s2)nn1 ZINC000814928890 727011848 /nfs/dbraw/zinc/01/18/48/727011848.db2.gz AUKOSBAHOIWZSW-UHFFFAOYSA-N 1 1 365.300 3.335 20 30 FGEDMO COCc1nc(Cl)cc(N=NC2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000814980004 727016530 /nfs/dbraw/zinc/01/65/30/727016530.db2.gz ZGEUAHYDLLQINX-ZDUSSCGKSA-N 1 1 359.861 3.196 20 30 FGEDMO C#CC[N@@H+](CCOCC=C)[C@H]1CCOc2ccc(Br)cc21 ZINC000815049326 727026211 /nfs/dbraw/zinc/02/62/11/727026211.db2.gz ZBACKUAOMQUTFS-INIZCTEOSA-N 1 1 350.256 3.411 20 30 FGEDMO C#CC[N@H+](CCOCC=C)[C@H]1CCOc2ccc(Br)cc21 ZINC000815049326 727026216 /nfs/dbraw/zinc/02/62/16/727026216.db2.gz ZBACKUAOMQUTFS-INIZCTEOSA-N 1 1 350.256 3.411 20 30 FGEDMO C=CCn1c(-c2cccs2)nn(CN(C)C[C@H]2CCC[N@H+]2C)c1=S ZINC000817375255 727245102 /nfs/dbraw/zinc/24/51/02/727245102.db2.gz YQZQUEMQGGMEIM-CQSZACIVSA-N 1 1 363.556 3.312 20 30 FGEDMO C#CC[N@@H+](C)CCCNCc1cc(Cl)ccc1OCc1cccnc1 ZINC000821212468 729069045 /nfs/dbraw/zinc/06/90/45/729069045.db2.gz FNZUMWOTZOCGIK-UHFFFAOYSA-N 1 1 357.885 3.359 20 30 FGEDMO C#CCN(C)CCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000821212468 729069048 /nfs/dbraw/zinc/06/90/48/729069048.db2.gz FNZUMWOTZOCGIK-UHFFFAOYSA-N 1 1 357.885 3.359 20 30 FGEDMO Cc1csc(NC(=O)NCc2cccnc2-n2cc[nH+]c2C)c1C#N ZINC000821435090 729087580 /nfs/dbraw/zinc/08/75/80/729087580.db2.gz NEAJJKRBFYEROS-UHFFFAOYSA-N 1 1 352.423 3.139 20 30 FGEDMO C#CCO[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000823212993 729263378 /nfs/dbraw/zinc/26/33/78/729263378.db2.gz AJLKRFFOJJIKAI-CYBMUJFWSA-N 1 1 369.292 3.112 20 30 FGEDMO C=CC[N@H+](Cc1cc(Br)ccc1O[C@H](C)C(=O)NC)C(C)C ZINC000823408464 729277442 /nfs/dbraw/zinc/27/74/42/729277442.db2.gz HUJCGUYUQSFXGB-CYBMUJFWSA-N 1 1 369.303 3.359 20 30 FGEDMO C#CCC[NH+]1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 ZINC000827550154 729431617 /nfs/dbraw/zinc/43/16/17/729431617.db2.gz AWVJLOHTEDOOIS-UHFFFAOYSA-N 1 1 362.193 3.008 20 30 FGEDMO C#CCC[N@H+](CCOC)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000827823177 729435579 /nfs/dbraw/zinc/43/55/79/729435579.db2.gz JUPJJZARJAVALY-SFHVURJKSA-N 1 1 351.874 3.370 20 30 FGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C1 ZINC000829789158 729512139 /nfs/dbraw/zinc/51/21/39/729512139.db2.gz OWEHLMZKVDDKMU-CYBMUJFWSA-N 1 1 356.363 3.196 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)s2)o1 ZINC000831822956 729670150 /nfs/dbraw/zinc/67/01/50/729670150.db2.gz MAHKXCBLDFJRHQ-ZJUUUORDSA-N 1 1 370.272 3.384 20 30 FGEDMO COc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)ccc1C#N ZINC000832022480 729683014 /nfs/dbraw/zinc/68/30/14/729683014.db2.gz BSZAJLMIHMSRSA-UHFFFAOYSA-N 1 1 356.451 3.042 20 30 FGEDMO COc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)ccc1C#N ZINC000832022480 729683017 /nfs/dbraw/zinc/68/30/17/729683017.db2.gz BSZAJLMIHMSRSA-UHFFFAOYSA-N 1 1 356.451 3.042 20 30 FGEDMO C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368886 730708559 /nfs/dbraw/zinc/70/85/59/730708559.db2.gz TWRVKTNVUOMCBI-SWLSCSKDSA-N 1 1 354.435 3.396 20 30 FGEDMO C[C@@H](c1nc(-c2cccs2)no1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368886 730708560 /nfs/dbraw/zinc/70/85/60/730708560.db2.gz TWRVKTNVUOMCBI-SWLSCSKDSA-N 1 1 354.435 3.396 20 30 FGEDMO CCO[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000844411191 730714852 /nfs/dbraw/zinc/71/48/52/730714852.db2.gz YYXGZBZBEMAUML-HZPDHXFCSA-N 1 1 353.507 3.178 20 30 FGEDMO COc1ccc(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1C#N ZINC000846933135 730996355 /nfs/dbraw/zinc/99/63/55/730996355.db2.gz VJFSKZGDRXEUMH-GOSISDBHSA-N 1 1 357.841 3.139 20 30 FGEDMO C[NH+](C)[C@@H](C(=O)NCc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000847430823 731054678 /nfs/dbraw/zinc/05/46/78/731054678.db2.gz NTDINQTYXOSMTH-GOSISDBHSA-N 1 1 357.841 3.161 20 30 FGEDMO C[C@H]1CO[C@H](COC(=O)c2sccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000851410611 731456704 /nfs/dbraw/zinc/45/67/04/731456704.db2.gz DQGIFKQVJZABLJ-YOEHRIQHSA-N 1 1 356.447 3.066 20 30 FGEDMO C[C@H]1CO[C@H](COC(=O)c2sccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000851410611 731456707 /nfs/dbraw/zinc/45/67/07/731456707.db2.gz DQGIFKQVJZABLJ-YOEHRIQHSA-N 1 1 356.447 3.066 20 30 FGEDMO C#CCNC(=O)CC[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000852564993 731601438 /nfs/dbraw/zinc/60/14/38/731601438.db2.gz VYIOGXUSCLMNQP-IBGZPJMESA-N 1 1 358.894 3.489 20 30 FGEDMO C#CCC[N@H+](CCOC)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000852751114 731629980 /nfs/dbraw/zinc/62/99/80/731629980.db2.gz PKMMYTQCCVQLJL-UHFFFAOYSA-N 1 1 374.282 3.378 20 30 FGEDMO N#Cc1ncc(Br)cc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000853455069 731705326 /nfs/dbraw/zinc/70/53/26/731705326.db2.gz PVGFLKKXEPBISH-WBMJQRKESA-N 1 1 361.287 3.169 20 30 FGEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1cc(Br)cnc1C#N ZINC000853621379 731733541 /nfs/dbraw/zinc/73/35/41/731733541.db2.gz BXYGYVKRTWQGRM-UHFFFAOYSA-N 1 1 363.259 3.267 20 30 FGEDMO C=CCCCCCCCCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000854065398 731790299 /nfs/dbraw/zinc/79/02/99/731790299.db2.gz VSYZXKVMLRARFB-LJQANCHMSA-N 1 1 351.535 3.144 20 30 FGEDMO C#CCCOC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000858912041 732258237 /nfs/dbraw/zinc/25/82/37/732258237.db2.gz HTSCLMGMKFEABL-UHFFFAOYSA-N 1 1 354.372 3.419 20 30 FGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000862446584 732837772 /nfs/dbraw/zinc/83/77/72/732837772.db2.gz BBDZLNWQSRHRKT-CQSZACIVSA-N 1 1 361.511 3.282 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000862504730 732842431 /nfs/dbraw/zinc/84/24/31/732842431.db2.gz MORSZZHYAOPHJB-UHFFFAOYSA-N 1 1 362.901 3.039 20 30 FGEDMO C[N@@H+]1CCC(N=Nc2cnccn2)C[C@H]1c1ccc(Br)cc1 ZINC000863079733 732914123 /nfs/dbraw/zinc/91/41/23/732914123.db2.gz YPBOAHWJQRMLAN-HNNXBMFYSA-N 1 1 360.259 3.474 20 30 FGEDMO C[N@H+]1CCC(N=Nc2cnccn2)C[C@H]1c1ccc(Br)cc1 ZINC000863079733 732914124 /nfs/dbraw/zinc/91/41/24/732914124.db2.gz YPBOAHWJQRMLAN-HNNXBMFYSA-N 1 1 360.259 3.474 20 30 FGEDMO COCCN(C)N=C1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863112821 732916040 /nfs/dbraw/zinc/91/60/40/732916040.db2.gz ZIQUDVSGETZYLC-MRXNPFEDSA-N 1 1 354.292 3.150 20 30 FGEDMO COCCN(C)N=C1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863112821 732916042 /nfs/dbraw/zinc/91/60/42/732916042.db2.gz ZIQUDVSGETZYLC-MRXNPFEDSA-N 1 1 354.292 3.150 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1CC#N ZINC000866201951 733324255 /nfs/dbraw/zinc/32/42/55/733324255.db2.gz XIUUNTZMKMKOAP-QGZVFWFLSA-N 1 1 353.491 3.408 20 30 FGEDMO COc1cc(SC)ccc1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867977352 733541043 /nfs/dbraw/zinc/54/10/43/733541043.db2.gz FLRAPGFYRNAEDM-GOSISDBHSA-N 1 1 353.447 3.114 20 30 FGEDMO C[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)[C@@H]1CCC[C@H]1C#N ZINC000872683208 735660718 /nfs/dbraw/zinc/66/07/18/735660718.db2.gz CFSMCPBKLKOQJZ-SWLSCSKDSA-N 1 1 360.255 3.346 20 30 FGEDMO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876891658 736158330 /nfs/dbraw/zinc/15/83/30/736158330.db2.gz APMNLGWHZRSHIN-RCBQFDQVSA-N 1 1 374.287 3.058 20 30 FGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c1 ZINC000877035915 736178744 /nfs/dbraw/zinc/17/87/44/736178744.db2.gz BLAUWGOPYVTEMS-HUUCEWRRSA-N 1 1 369.774 3.231 20 30 FGEDMO C[C@@H](CCC#N)C[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000877493704 736671654 /nfs/dbraw/zinc/67/16/54/736671654.db2.gz CIICJRDKPKEACX-NSHDSACASA-N 1 1 358.305 3.129 20 30 FGEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000877571472 736686668 /nfs/dbraw/zinc/68/66/68/736686668.db2.gz AERHNWZPIAXCCQ-STQMWFEESA-N 1 1 354.841 3.063 20 30 FGEDMO C[C@H](C[N@@H+](C)CCc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000877704862 736708639 /nfs/dbraw/zinc/70/86/39/736708639.db2.gz NXXGGITWUNXOPR-MRXNPFEDSA-N 1 1 356.491 3.240 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319253 737154560 /nfs/dbraw/zinc/15/45/60/737154560.db2.gz USMDAHZLEWTXLD-YJTLQXIOSA-N 1 1 360.527 3.252 20 30 FGEDMO N#Cc1csc(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000882393759 737450613 /nfs/dbraw/zinc/45/06/13/737450613.db2.gz GOVBCXMPVGQYJJ-KRWDZBQOSA-N 1 1 352.463 3.156 20 30 FGEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193972 739228227 /nfs/dbraw/zinc/22/82/27/739228227.db2.gz GLBCJKHUXYMTIY-MSOLQXFVSA-N 1 1 361.555 3.255 20 30 FGEDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193972 739228230 /nfs/dbraw/zinc/22/82/30/739228230.db2.gz GLBCJKHUXYMTIY-MSOLQXFVSA-N 1 1 361.555 3.255 20 30 FGEDMO C=CCC1(O)CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000886776792 739297277 /nfs/dbraw/zinc/29/72/77/739297277.db2.gz PIDOXGTYELQLEV-HNNXBMFYSA-N 1 1 358.251 3.025 20 30 FGEDMO CSc1ccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1C#N ZINC000890452501 739801025 /nfs/dbraw/zinc/80/10/25/739801025.db2.gz PXPZEXYNUDIKLT-KRWDZBQOSA-N 1 1 360.527 3.296 20 30 FGEDMO C#CCC1(O)CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000895675650 742438892 /nfs/dbraw/zinc/43/88/92/742438892.db2.gz SXMJMMRHBDEORJ-GOSISDBHSA-N 1 1 363.885 3.248 20 30 FGEDMO C=CCC1(O)CC[NH+](Cc2ccc(C(=O)OC)c(Br)c2)CC1 ZINC000895827212 742458872 /nfs/dbraw/zinc/45/88/72/742458872.db2.gz LJPWXNGCPXDZDJ-UHFFFAOYSA-N 1 1 368.271 3.139 20 30 FGEDMO COC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055130 742636949 /nfs/dbraw/zinc/63/69/49/742636949.db2.gz OPDVCUHUVODTPN-HLTSFMKQSA-N 1 1 355.269 3.372 20 30 FGEDMO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000901254070 743242764 /nfs/dbraw/zinc/24/27/64/743242764.db2.gz BBENRSQQFLIKEM-YJBOKZPZSA-N 1 1 367.896 3.096 20 30 FGEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)C2 ZINC000904181622 743936173 /nfs/dbraw/zinc/93/61/73/743936173.db2.gz WVRRZJHYRYXIDQ-LBPRGKRZSA-N 1 1 354.237 3.479 20 30 FGEDMO C=CCOc1c(Br)cc(CN2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904411274 743953179 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FGEDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000112990909 495265932 /nfs/dbraw/zinc/26/59/32/495265932.db2.gz NCFAVWPDXXQUDJ-CVEARBPZSA-N 1 1 361.511 3.378 20 30 FGEDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000112990909 495265937 /nfs/dbraw/zinc/26/59/37/495265937.db2.gz NCFAVWPDXXQUDJ-CVEARBPZSA-N 1 1 361.511 3.378 20 30 FGEDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000113229624 495287498 /nfs/dbraw/zinc/28/74/98/495287498.db2.gz VPQFFAKTSSODHN-DOTOQJQBSA-N 1 1 365.433 3.039 20 30 FGEDMO C[C@@H]1CCC[N@H+](CCNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113322218 495296581 /nfs/dbraw/zinc/29/65/81/495296581.db2.gz WOMWVUGNHFHKAF-GOSISDBHSA-N 1 1 351.498 3.285 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113322218 495296582 /nfs/dbraw/zinc/29/65/82/495296582.db2.gz WOMWVUGNHFHKAF-GOSISDBHSA-N 1 1 351.498 3.285 20 30 FGEDMO CC[N@@H+]1CCCC[C@@H]1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000113341009 495298138 /nfs/dbraw/zinc/29/81/38/495298138.db2.gz IPQJSSLWHOQFOR-HXUWFJFHSA-N 1 1 351.498 3.428 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000113341009 495298141 /nfs/dbraw/zinc/29/81/41/495298141.db2.gz IPQJSSLWHOQFOR-HXUWFJFHSA-N 1 1 351.498 3.428 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCOCC23CCC3)sc2c1CCCC2 ZINC000135500937 495302551 /nfs/dbraw/zinc/30/25/51/495302551.db2.gz CVNKUUJHPVWMFC-UHFFFAOYSA-N 1 1 359.495 3.082 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCOCC23CCC3)sc2c1CCCC2 ZINC000135500937 495302557 /nfs/dbraw/zinc/30/25/57/495302557.db2.gz CVNKUUJHPVWMFC-UHFFFAOYSA-N 1 1 359.495 3.082 20 30 FGEDMO C=CCC[C@@H](O)C[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000124807024 495346812 /nfs/dbraw/zinc/34/68/12/495346812.db2.gz TWTGXMWHEMCWEK-QGZVFWFLSA-N 1 1 351.878 3.207 20 30 FGEDMO C=CCNc1ncc(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)s1 ZINC000136213093 495364252 /nfs/dbraw/zinc/36/42/52/495364252.db2.gz FHMFGLYNLGQCPK-UHFFFAOYSA-N 1 1 371.441 3.304 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120437656 495377927 /nfs/dbraw/zinc/37/79/27/495377927.db2.gz IXFVJHXAFAUKCT-DKSSEZFCSA-N 1 1 363.889 3.236 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120437656 495377932 /nfs/dbraw/zinc/37/79/32/495377932.db2.gz IXFVJHXAFAUKCT-DKSSEZFCSA-N 1 1 363.889 3.236 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000114501588 495386743 /nfs/dbraw/zinc/38/67/43/495386743.db2.gz CKFFOSWPGBMELZ-KBPBESRZSA-N 1 1 352.450 3.307 20 30 FGEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000120476808 495387794 /nfs/dbraw/zinc/38/77/94/495387794.db2.gz BWEPGUFCDNZEPA-YJBOKZPZSA-N 1 1 367.449 3.142 20 30 FGEDMO CCC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1CC1 ZINC000114724119 495415837 /nfs/dbraw/zinc/41/58/37/495415837.db2.gz YKTKYQAONCXSFR-UHFFFAOYSA-N 1 1 352.400 3.295 20 30 FGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000130710720 495433264 /nfs/dbraw/zinc/43/32/64/495433264.db2.gz IKRMQNXPNIVJBT-QZTJIDSGSA-N 1 1 363.889 3.212 20 30 FGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C3)nc2c1 ZINC000130838260 495453475 /nfs/dbraw/zinc/45/34/75/495453475.db2.gz AFBQHYFHGOYLJK-IERDGZPVSA-N 1 1 367.497 3.105 20 30 FGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C3)nc2c1 ZINC000130838260 495453481 /nfs/dbraw/zinc/45/34/81/495453481.db2.gz AFBQHYFHGOYLJK-IERDGZPVSA-N 1 1 367.497 3.105 20 30 FGEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C3)[nH]c2c1 ZINC000130838260 495453486 /nfs/dbraw/zinc/45/34/86/495453486.db2.gz AFBQHYFHGOYLJK-IERDGZPVSA-N 1 1 367.497 3.105 20 30 FGEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C3)[nH]c2c1 ZINC000130838260 495453487 /nfs/dbraw/zinc/45/34/87/495453487.db2.gz AFBQHYFHGOYLJK-IERDGZPVSA-N 1 1 367.497 3.105 20 30 FGEDMO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000115273046 495483436 /nfs/dbraw/zinc/48/34/36/495483436.db2.gz MTUUUZGKOVMPOR-IEBWSBKVSA-N 1 1 360.498 3.118 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)nc2)C1 ZINC000115335595 495491856 /nfs/dbraw/zinc/49/18/56/495491856.db2.gz LYUAZAMVPCMIHL-CALCHBBNSA-N 1 1 362.477 3.361 20 30 FGEDMO C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[N@@H+](C)C1CC1 ZINC000115360916 495494822 /nfs/dbraw/zinc/49/48/22/495494822.db2.gz JHXUUDXDAVIACI-MRXNPFEDSA-N 1 1 363.461 3.350 20 30 FGEDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000131205712 495507022 /nfs/dbraw/zinc/50/70/22/495507022.db2.gz ILYFCHIVVNXISK-LMKMVOKYSA-N 1 1 356.491 3.336 20 30 FGEDMO N#Cc1ccc([C@@H]([NH2+]CCOc2ccccc2-c2ccccc2)C(N)=O)cc1 ZINC000115598448 495520732 /nfs/dbraw/zinc/52/07/32/495520732.db2.gz OQVOJDGJKNFTRK-JOCHJYFZSA-N 1 1 371.440 3.420 20 30 FGEDMO CCCN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000107470085 495528005 /nfs/dbraw/zinc/52/80/05/495528005.db2.gz GJBXGBCRZXXQAC-HXUWFJFHSA-N 1 1 362.477 3.470 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000568850214 505792705 /nfs/dbraw/zinc/79/27/05/505792705.db2.gz JMIOZSSZHAWQKB-YPVJZLTNSA-N 1 1 359.473 3.441 20 30 FGEDMO C[C@@H](C#N)CNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000182562445 495617657 /nfs/dbraw/zinc/61/76/57/495617657.db2.gz KNSAHVLUBSLZFP-YJBOKZPZSA-N 1 1 368.506 3.306 20 30 FGEDMO C[C@@H](C#N)CNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000182562445 495617661 /nfs/dbraw/zinc/61/76/61/495617661.db2.gz KNSAHVLUBSLZFP-YJBOKZPZSA-N 1 1 368.506 3.306 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000150758913 495624280 /nfs/dbraw/zinc/62/42/80/495624280.db2.gz LKOAJVCMEOVVNP-SFHVURJKSA-N 1 1 374.485 3.270 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000182603260 495632440 /nfs/dbraw/zinc/63/24/40/495632440.db2.gz IDBBSSQJYRTZTE-HNNXBMFYSA-N 1 1 351.410 3.053 20 30 FGEDMO C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)[N@@H+]1CCc2sccc2C1 ZINC000176404888 495639319 /nfs/dbraw/zinc/63/93/19/495639319.db2.gz VCZXFMODYSWQJG-LLVKDONJSA-N 1 1 361.417 3.075 20 30 FGEDMO C[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)[N@H+]1CCc2sccc2C1 ZINC000176404888 495639324 /nfs/dbraw/zinc/63/93/24/495639324.db2.gz VCZXFMODYSWQJG-LLVKDONJSA-N 1 1 361.417 3.075 20 30 FGEDMO C[C@H]1C[NH+](Cc2cccc(Nc3nccc(C#N)c3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000150876040 495665137 /nfs/dbraw/zinc/66/51/37/495665137.db2.gz CHRSOLMSCYDMPM-KBPBESRZSA-N 1 1 367.409 3.214 20 30 FGEDMO C=CCCCCC[N@@H+](C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000150884295 495667351 /nfs/dbraw/zinc/66/73/51/495667351.db2.gz LWOOMBGQYQCYJM-UHFFFAOYSA-N 1 1 363.483 3.258 20 30 FGEDMO C=CCCCCC[N@H+](C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000150884295 495667354 /nfs/dbraw/zinc/66/73/54/495667354.db2.gz LWOOMBGQYQCYJM-UHFFFAOYSA-N 1 1 363.483 3.258 20 30 FGEDMO COc1cc(C#N)ccc1OCCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694864 495683842 /nfs/dbraw/zinc/68/38/42/495683842.db2.gz LMLQPQVGJBTMRD-SJLPKXTDSA-N 1 1 357.498 3.188 20 30 FGEDMO COc1cc(C#N)ccc1OCCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694864 495683849 /nfs/dbraw/zinc/68/38/49/495683849.db2.gz LMLQPQVGJBTMRD-SJLPKXTDSA-N 1 1 357.498 3.188 20 30 FGEDMO CCCO[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182772342 495697646 /nfs/dbraw/zinc/69/76/46/495697646.db2.gz YKYWTZBNVWZJQD-VQTJNVASSA-N 1 1 355.482 3.335 20 30 FGEDMO C[C@@H](C#N)CNC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000182785581 495702169 /nfs/dbraw/zinc/70/21/69/495702169.db2.gz YIVTWADTHOJONI-SFHVURJKSA-N 1 1 362.477 3.263 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@H](C#N)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000176632205 495727937 /nfs/dbraw/zinc/72/79/37/495727937.db2.gz RMFPSYNFOLEEDM-LZJOCLMNSA-N 1 1 369.509 3.498 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)c1 ZINC000171285438 495804727 /nfs/dbraw/zinc/80/47/27/495804727.db2.gz HZHJGOSDLZAZKP-UHFFFAOYSA-N 1 1 368.481 3.226 20 30 FGEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)c[nH]1 ZINC000159788955 495809345 /nfs/dbraw/zinc/80/93/45/495809345.db2.gz DNIQUQKVLFJRNG-SFHVURJKSA-N 1 1 374.448 3.091 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000155229771 495883750 /nfs/dbraw/zinc/88/37/50/495883750.db2.gz IWGHLJNONLWOSJ-PMACEKPBSA-N 1 1 369.509 3.251 20 30 FGEDMO CC(C)[N@@H+]1CCC[C@@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180171742 495890529 /nfs/dbraw/zinc/89/05/29/495890529.db2.gz DJWZRWAOBSWGPX-SFHVURJKSA-N 1 1 351.498 3.169 20 30 FGEDMO CC(C)[N@H+]1CCC[C@@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180171742 495890536 /nfs/dbraw/zinc/89/05/36/495890536.db2.gz DJWZRWAOBSWGPX-SFHVURJKSA-N 1 1 351.498 3.169 20 30 FGEDMO C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCCCCC#N)C1CCCCC1 ZINC000171474989 495891259 /nfs/dbraw/zinc/89/12/59/495891259.db2.gz NIAAKRPYAXCUCW-UHFFFAOYSA-N 1 1 370.497 3.200 20 30 FGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000155263725 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C[C@]1(CNC(=O)N2CCC[C@](C)(O)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000329983639 497979755 /nfs/dbraw/zinc/97/97/55/497979755.db2.gz PSQLWXJHKAVFDA-RTWAWAEBSA-N 1 1 359.514 3.192 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000330004126 497986607 /nfs/dbraw/zinc/98/66/07/497986607.db2.gz CJHXBDYARCAHCN-HNNXBMFYSA-N 1 1 357.458 3.019 20 30 FGEDMO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000301215822 498003947 /nfs/dbraw/zinc/00/39/47/498003947.db2.gz XTTWCSFBVWZYTD-KRWDZBQOSA-N 1 1 350.422 3.443 20 30 FGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000330080955 498013209 /nfs/dbraw/zinc/01/32/09/498013209.db2.gz GQBHLAOEHPEUCR-ZWKOTPCHSA-N 1 1 361.534 3.089 20 30 FGEDMO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000330135620 498033499 /nfs/dbraw/zinc/03/34/99/498033499.db2.gz HGPAJOVVCWBCMP-ROUUACIJSA-N 1 1 363.546 3.492 20 30 FGEDMO N#Cc1ccc(C(F)(F)F)nc1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000301280455 498034918 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WVSUXWIWKHSLKI-AWEZNQCLSA-N 1 1 359.271 3.119 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2ccccc2)n1 ZINC000292876433 498179856 /nfs/dbraw/zinc/17/98/56/498179856.db2.gz XABFNKREFSGCIB-IBGZPJMESA-N 1 1 359.433 3.007 20 30 FGEDMO COCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000330718319 498181714 /nfs/dbraw/zinc/18/17/14/498181714.db2.gz AIYXXHFZXJBMGY-SJORKVTESA-N 1 1 369.456 3.417 20 30 FGEDMO COCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000330718319 498181720 /nfs/dbraw/zinc/18/17/20/498181720.db2.gz AIYXXHFZXJBMGY-SJORKVTESA-N 1 1 369.456 3.417 20 30 FGEDMO Cc1nn(C)c(=O)c(-c2nc(C[NH+]3CCC(CCC#N)CC3)cs2)c1C ZINC000569689212 505993879 /nfs/dbraw/zinc/99/38/79/505993879.db2.gz CJMWRVUXAOBJPO-UHFFFAOYSA-N 1 1 371.510 3.036 20 30 FGEDMO Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000330783028 498192857 /nfs/dbraw/zinc/19/28/57/498192857.db2.gz HQGPODNMWKYTJV-SCTDSRPQSA-N 1 1 359.514 3.265 20 30 FGEDMO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000330788958 498194036 /nfs/dbraw/zinc/19/40/36/498194036.db2.gz RHKVFZFBXOFLAI-TUAOUCFPSA-N 1 1 372.296 3.238 20 30 FGEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C[C@H]1C ZINC000330868334 498208096 /nfs/dbraw/zinc/20/80/96/498208096.db2.gz WDMCQVQPCAMYJO-MNOVXSKESA-N 1 1 361.820 3.210 20 30 FGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C[C@H]1C ZINC000330868334 498208101 /nfs/dbraw/zinc/20/81/01/498208101.db2.gz WDMCQVQPCAMYJO-MNOVXSKESA-N 1 1 361.820 3.210 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN4c5ccccc5C[C@@H]4C3)o2)cc1 ZINC000289601360 498212091 /nfs/dbraw/zinc/21/20/91/498212091.db2.gz XVIBELVXGPABTG-LJQANCHMSA-N 1 1 371.444 3.245 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C(=O)OC)c(C)cc2C)C[C@H]1C ZINC000330980720 498229483 /nfs/dbraw/zinc/22/94/83/498229483.db2.gz NXZBVPMTSDWSSG-HZPDHXFCSA-N 1 1 361.486 3.440 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1 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MKQKEEDEZKBEPR-MNOVXSKESA-N 1 1 360.285 3.234 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000331194683 498272594 /nfs/dbraw/zinc/27/25/94/498272594.db2.gz YIMFUJROYBHDOG-BZQUYTCOSA-N 1 1 369.506 3.400 20 30 FGEDMO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000331257576 498286108 /nfs/dbraw/zinc/28/61/08/498286108.db2.gz DCQYHXWQMOXRRL-GFCCVEGCSA-N 1 1 355.841 3.039 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC000331277683 498292331 /nfs/dbraw/zinc/29/23/31/498292331.db2.gz GKSUVIBHGZPWNN-ZIAGYGMSSA-N 1 1 365.474 3.063 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000331294432 498294989 /nfs/dbraw/zinc/29/49/89/498294989.db2.gz RNCDTKOURZUWIX-ZAAXVRCTSA-N 1 1 357.498 3.031 20 30 FGEDMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000331315252 498299179 /nfs/dbraw/zinc/29/91/79/498299179.db2.gz XLLLXABUZAPNDA-JTQLQIEISA-N 1 1 364.248 3.067 20 30 FGEDMO 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20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@]3(CCOC3)C2)c2ccccc21 ZINC000569918473 506047116 /nfs/dbraw/zinc/04/71/16/506047116.db2.gz FMSPVVTYCGEQOY-NRFANRHFSA-N 1 1 351.450 3.240 20 30 FGEDMO CC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000331994733 498525548 /nfs/dbraw/zinc/52/55/48/498525548.db2.gz VIQCLKBMEOWNOQ-ZIAGYGMSSA-N 1 1 361.511 3.184 20 30 FGEDMO CC[C@@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000331994733 498525552 /nfs/dbraw/zinc/52/55/52/498525552.db2.gz VIQCLKBMEOWNOQ-ZIAGYGMSSA-N 1 1 361.511 3.184 20 30 FGEDMO CC[C@H](Nc1ccc(C)c(C#N)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302670870 498528059 /nfs/dbraw/zinc/52/80/59/498528059.db2.gz RJZDTISAHIDZKQ-AZUAARDMSA-N 1 1 350.466 3.353 20 30 FGEDMO CC[C@H](Nc1ccc(C)c(C#N)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302670870 498528066 /nfs/dbraw/zinc/52/80/66/498528066.db2.gz RJZDTISAHIDZKQ-AZUAARDMSA-N 1 1 350.466 3.353 20 30 FGEDMO COc1cccc(C2=CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1 ZINC000332045742 498543326 /nfs/dbraw/zinc/54/33/26/498543326.db2.gz KLLFSFKEUULWNY-UHFFFAOYSA-N 1 1 367.493 3.469 20 30 FGEDMO COc1cccc(C2=CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)c1 ZINC000332045742 498543330 /nfs/dbraw/zinc/54/33/30/498543330.db2.gz KLLFSFKEUULWNY-UHFFFAOYSA-N 1 1 367.493 3.469 20 30 FGEDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000332063110 498547351 /nfs/dbraw/zinc/54/73/51/498547351.db2.gz ZEYPQFDCXPZMME-PBHICJAKSA-N 1 1 360.889 3.099 20 30 FGEDMO N#Cc1cc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)ccc1OC(F)(F)F ZINC000365669277 498589426 /nfs/dbraw/zinc/58/94/26/498589426.db2.gz SXBYQXJGVVNLEG-LBPRGKRZSA-N 1 1 350.300 3.169 20 30 FGEDMO N#Cc1csc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000365741845 498620120 /nfs/dbraw/zinc/62/01/20/498620120.db2.gz IFORZEXGDCEPBA-ROUUACIJSA-N 1 1 351.475 3.214 20 30 FGEDMO Cc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)ncc1C#N ZINC000572839131 506064851 /nfs/dbraw/zinc/06/48/51/506064851.db2.gz RXLOWOZRZSQBSD-HNNXBMFYSA-N 1 1 364.449 3.235 20 30 FGEDMO Cc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)ncc1C#N ZINC000572839132 506065190 /nfs/dbraw/zinc/06/51/90/506065190.db2.gz RXLOWOZRZSQBSD-OAHLLOKOSA-N 1 1 364.449 3.235 20 30 FGEDMO N#Cc1ccc(CCC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000363070918 498634745 /nfs/dbraw/zinc/63/47/45/498634745.db2.gz AXXJRXFRPOLMFY-QFIPXVFZSA-N 1 1 361.489 3.172 20 30 FGEDMO COC(=O)[C@]1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000282750541 498639317 /nfs/dbraw/zinc/63/93/17/498639317.db2.gz NZVHAUSNZIFGQP-IIBYNOLFSA-N 1 1 366.465 3.095 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@](CO)(Cc4ccccc4)C3)n2c1 ZINC000365832677 498661659 /nfs/dbraw/zinc/66/16/59/498661659.db2.gz ZCTRHOAOTZHDAT-JOCHJYFZSA-N 1 1 360.461 3.023 20 30 FGEDMO C=CCN(Cc1ncc([C@H](C)O)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366001933 498726424 /nfs/dbraw/zinc/72/64/24/498726424.db2.gz AXZCQDLCSXZADQ-WMZOPIPTSA-N 1 1 357.523 3.459 20 30 FGEDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000283008671 498743950 /nfs/dbraw/zinc/74/39/50/498743950.db2.gz LGPARQVMUVVZHE-UHFFFAOYSA-N 1 1 370.522 3.236 20 30 FGEDMO C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1=CC[N@@H+](C)CC1 ZINC000283048590 498759163 /nfs/dbraw/zinc/75/91/63/498759163.db2.gz QTKHAVCDCAUDED-NSHDSACASA-N 1 1 368.359 3.229 20 30 FGEDMO N#C[C@@H]1N(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCC[C@]12CCCCO2 ZINC000366187546 498814232 /nfs/dbraw/zinc/81/42/32/498814232.db2.gz YMYYTUWTCHOSLI-HFSMHLIXSA-N 1 1 359.514 3.095 20 30 FGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000298721275 498859493 /nfs/dbraw/zinc/85/94/93/498859493.db2.gz OHCITJRHBXRISD-SFHVURJKSA-N 1 1 365.481 3.135 20 30 FGEDMO C[C@H](CNC(=O)N[C@@H]1CCCC12CCOCC2)[N@H+]1CCc2ccccc2C1 ZINC000328644235 498886581 /nfs/dbraw/zinc/88/65/81/498886581.db2.gz AMXPHQAWHCJGIV-YLJYHZDGSA-N 1 1 371.525 3.286 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000328677300 498898221 /nfs/dbraw/zinc/89/82/21/498898221.db2.gz LWXIFIFHOUHREG-DABHTEOTSA-N 1 1 369.509 3.283 20 30 FGEDMO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000579169649 506109115 /nfs/dbraw/zinc/10/91/15/506109115.db2.gz WIEKKSFWPGWKOM-IEBWSBKVSA-N 1 1 350.890 3.138 20 30 FGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CC(=O)Nc2nc3c(s2)CCC3)C1 ZINC000328693774 498905386 /nfs/dbraw/zinc/90/53/86/498905386.db2.gz COXCSEZXUFPGMQ-VRKREXBASA-N 1 1 363.527 3.481 20 30 FGEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000283519756 498911306 /nfs/dbraw/zinc/91/13/06/498911306.db2.gz FYJYZXFZGFVZLA-GOSISDBHSA-N 1 1 368.529 3.008 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccnc(OCc4ccccc4)c3)[C@@H]2C1 ZINC000328733210 498919468 /nfs/dbraw/zinc/91/94/68/498919468.db2.gz XWVOJCKSCVOPBF-IEBWSBKVSA-N 1 1 366.465 3.232 20 30 FGEDMO CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N[C@H]1CCC(=O)NC13CCC3)C2 ZINC000328749892 498925535 /nfs/dbraw/zinc/92/55/35/498925535.db2.gz QJDXNUHPVIOLEE-KBPBESRZSA-N 1 1 373.501 3.041 20 30 FGEDMO CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+][C@H]1CCC(=O)NC13CCC3)C2 ZINC000328749892 498925539 /nfs/dbraw/zinc/92/55/39/498925539.db2.gz QJDXNUHPVIOLEE-KBPBESRZSA-N 1 1 373.501 3.041 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000333195756 498932302 /nfs/dbraw/zinc/93/23/02/498932302.db2.gz WDOJCXKSJMTKQW-VAMGGRTRSA-N 1 1 355.482 3.292 20 30 FGEDMO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328822342 498949264 /nfs/dbraw/zinc/94/92/64/498949264.db2.gz PBVFRUCDDGKCPJ-KVPRVUCYSA-N 1 1 370.852 3.317 20 30 FGEDMO C[N@@H+](CCNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C1CCCCC1 ZINC000328922394 498985484 /nfs/dbraw/zinc/98/54/84/498985484.db2.gz UJNZUAROBKVCTG-QGZVFWFLSA-N 1 1 364.534 3.135 20 30 FGEDMO C[C@H]1[C@H](NC(=O)Nc2cccc(OCC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000288336139 498998255 /nfs/dbraw/zinc/99/82/55/498998255.db2.gz ZWVABXOBGKWFLM-OXJNMPFZSA-N 1 1 364.449 3.373 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000579232985 506125302 /nfs/dbraw/zinc/12/53/02/506125302.db2.gz OALXMBDWRLMKAQ-ZFWWWQNUSA-N 1 1 366.490 3.320 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000579232985 506125304 /nfs/dbraw/zinc/12/53/04/506125304.db2.gz OALXMBDWRLMKAQ-ZFWWWQNUSA-N 1 1 366.490 3.320 20 30 FGEDMO Cc1cccc(S(=O)(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c1C#N ZINC000366651974 499019162 /nfs/dbraw/zinc/01/91/62/499019162.db2.gz IZPIAQFXOLHNRE-MRXNPFEDSA-N 1 1 372.494 3.212 20 30 FGEDMO C[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCCCC1=O ZINC000329038263 499022437 /nfs/dbraw/zinc/02/24/37/499022437.db2.gz NLROUUZBFTUWKI-ZHALLVOQSA-N 1 1 357.498 3.112 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000333524112 499023563 /nfs/dbraw/zinc/02/35/63/499023563.db2.gz ZYVCGZIWJASVLL-OTWHNJEPSA-N 1 1 358.482 3.351 20 30 FGEDMO CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 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499310172 /nfs/dbraw/zinc/31/01/72/499310172.db2.gz VJKUAKQGXDQBFH-MAUKXSAKSA-N 1 1 373.522 3.326 20 30 FGEDMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000368673109 499320895 /nfs/dbraw/zinc/32/08/95/499320895.db2.gz QEKGEWDSVDCNJA-VQTJNVASSA-N 1 1 355.482 3.193 20 30 FGEDMO Cn1cc(Cl)cc1C(=O)N1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000371415904 499323477 /nfs/dbraw/zinc/32/34/77/499323477.db2.gz HRQXUMMUVLEIRP-UHFFFAOYSA-N 1 1 350.894 3.156 20 30 FGEDMO CC[NH+]1CCN(C(=O)N[C@H](C)c2nc(-c3ccc(C#N)cc3)cs2)CC1 ZINC000371999360 499388381 /nfs/dbraw/zinc/38/83/81/499388381.db2.gz RYASCGKZRVGMAI-CQSZACIVSA-N 1 1 369.494 3.090 20 30 FGEDMO C#CC[C@@H](C)NC(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372080542 499396858 /nfs/dbraw/zinc/39/68/58/499396858.db2.gz PZJCFJLWLKEXOI-VQIMIIECSA-N 1 1 365.481 3.172 20 30 FGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000372090886 499398222 /nfs/dbraw/zinc/39/82/22/499398222.db2.gz SHPNUSXAHTUFKX-RBUKOAKNSA-N 1 1 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N#Cc1ccc(N2CCC[C@H](N[C@H]3C[C@@H]([NH3+])c4ccccc43)C2)c(F)c1 ZINC000579342534 506151864 /nfs/dbraw/zinc/15/18/64/506151864.db2.gz VRVBZXFYGWONFJ-BEVDRBHNSA-N 1 1 350.441 3.401 20 30 FGEDMO CC(C)(CCC#N)CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000376747102 499633281 /nfs/dbraw/zinc/63/32/81/499633281.db2.gz FLBOTEQXWIIVMS-LJQANCHMSA-N 1 1 356.514 3.180 20 30 FGEDMO COc1cc([C@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)cc(OC)c1OC ZINC000377202873 499670528 /nfs/dbraw/zinc/67/05/28/499670528.db2.gz YQTCITRBRFRSFP-QGZVFWFLSA-N 1 1 355.438 3.260 20 30 FGEDMO COc1cc([C@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)cc(OC)c1OC ZINC000377202873 499670530 /nfs/dbraw/zinc/67/05/30/499670530.db2.gz YQTCITRBRFRSFP-QGZVFWFLSA-N 1 1 355.438 3.260 20 30 FGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000377358634 499682832 /nfs/dbraw/zinc/68/28/32/499682832.db2.gz PFBFLHGXFMQFKM-HXUWFJFHSA-N 1 1 360.461 3.215 20 30 FGEDMO COCCOCc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000377549792 499703622 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366.421 3.168 20 30 FGEDMO C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000555260063 505393911 /nfs/dbraw/zinc/39/39/11/505393911.db2.gz YMUYXAGJSCXTNP-QRWLVFNGSA-N 1 1 366.421 3.168 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C(F)(F)F)c1 ZINC000558572985 505427428 /nfs/dbraw/zinc/42/74/28/505427428.db2.gz NKARYQXQNVFAJS-HNNXBMFYSA-N 1 1 351.372 3.021 20 30 FGEDMO Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000561793802 505438965 /nfs/dbraw/zinc/43/89/65/505438965.db2.gz KLLPWDGHLJPOND-KRWDZBQOSA-N 1 1 351.450 3.342 20 30 FGEDMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000561793802 505438969 /nfs/dbraw/zinc/43/89/69/505438969.db2.gz KLLPWDGHLJPOND-KRWDZBQOSA-N 1 1 351.450 3.342 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C2CC2)[C@H](C)C1 ZINC000567360679 505440968 /nfs/dbraw/zinc/44/09/68/505440968.db2.gz CFGNYEPNOJPCIU-BEFAXECRSA-N 1 1 364.497 3.318 20 30 FGEDMO COc1ccc([C@H]([NH2+]CCn2cnc(C#N)n2)c2ccccc2Cl)cc1 ZINC000552332635 505463309 /nfs/dbraw/zinc/46/33/09/505463309.db2.gz YXDCSOXTXKFFEV-IBGZPJMESA-N 1 1 367.840 3.191 20 30 FGEDMO N#Cc1ccc(CNC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000555612682 505474941 /nfs/dbraw/zinc/47/49/41/505474941.db2.gz ZPLGUEURWXBLAE-IBGZPJMESA-N 1 1 365.477 3.170 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)nc1 ZINC000555674303 505490564 /nfs/dbraw/zinc/49/05/64/505490564.db2.gz XZABZEYBUSWSSW-QGZVFWFLSA-N 1 1 350.470 3.499 20 30 FGEDMO N#Cc1ccc(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)nc1 ZINC000555674303 505490570 /nfs/dbraw/zinc/49/05/70/505490570.db2.gz XZABZEYBUSWSSW-QGZVFWFLSA-N 1 1 350.470 3.499 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@@H](O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000555774826 505512859 /nfs/dbraw/zinc/51/28/59/505512859.db2.gz HCIYWXDCXAETNE-HXUWFJFHSA-N 1 1 366.461 3.493 20 30 FGEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000555843406 505525114 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ZINC000822802357 606452437 /nfs/dbraw/zinc/45/24/37/606452437.db2.gz ZNHFHEGQKRTIRZ-WOJBJXKFSA-N 1 1 374.448 3.017 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822802357 606452438 /nfs/dbraw/zinc/45/24/38/606452438.db2.gz ZNHFHEGQKRTIRZ-WOJBJXKFSA-N 1 1 374.448 3.017 20 30 FGEDMO CC[N@H+](Cc1cc(F)ccc1C#N)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222028 607057780 /nfs/dbraw/zinc/05/77/80/607057780.db2.gz NSCVEAJBFZZWLM-ZDUSSCGKSA-N 1 1 350.401 3.461 20 30 FGEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222028 607057781 /nfs/dbraw/zinc/05/77/81/607057781.db2.gz NSCVEAJBFZZWLM-ZDUSSCGKSA-N 1 1 350.401 3.461 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(OCC)ccc1O ZINC000823915125 608632491 /nfs/dbraw/zinc/63/24/91/608632491.db2.gz SHZLYMPJTJTMCZ-UHFFFAOYSA-N 1 1 365.437 3.159 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1ccc(Br)cc1F ZINC000078639434 700284035 /nfs/dbraw/zinc/28/40/35/700284035.db2.gz LLCPCNIPRSEGRQ-NSHDSACASA-N 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FGEDMO N#Cc1cccc(CNC(=O)C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000574288001 505739097 /nfs/dbraw/zinc/73/90/97/505739097.db2.gz WVGQILROIGGWAL-OAQYLSRUSA-N 1 1 359.473 3.444 20 30 FGEDMO CN(C(=O)NCc1cccc(C#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080664316 494760286 /nfs/dbraw/zinc/76/02/86/494760286.db2.gz UGEIXFVJXXWUFK-NRFANRHFSA-N 1 1 362.477 3.364 20 30 FGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000075436888 494763146 /nfs/dbraw/zinc/76/31/46/494763146.db2.gz ZGMQFWJDDMIPKR-INIZCTEOSA-N 1 1 366.440 3.113 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1cc(C#N)ccc1F ZINC000075436888 494763152 /nfs/dbraw/zinc/76/31/52/494763152.db2.gz ZGMQFWJDDMIPKR-INIZCTEOSA-N 1 1 366.440 3.113 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000121491141 494780048 /nfs/dbraw/zinc/78/00/48/494780048.db2.gz PZUYWZPCZUYULN-UHFFFAOYSA-N 1 1 370.844 3.237 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121543754 494798652 /nfs/dbraw/zinc/79/86/52/494798652.db2.gz YNIHHPIWSFTAIQ-CQSZACIVSA-N 1 1 371.378 3.320 20 30 FGEDMO CC(=O)c1ccccc1OCC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000571479560 505742522 /nfs/dbraw/zinc/74/25/22/505742522.db2.gz PJCZWWZGUCGQQK-UHFFFAOYSA-N 1 1 352.434 3.288 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2cccnc2)c(OC)c1 ZINC000093234022 494848504 /nfs/dbraw/zinc/84/85/04/494848504.db2.gz OSKVKNYRPQQVSA-APWZRJJASA-N 1 1 356.466 3.251 20 30 FGEDMO CCOCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000093313677 494866494 /nfs/dbraw/zinc/86/64/94/494866494.db2.gz WVSGDBZKKPXPLE-UHFFFAOYSA-N 1 1 372.444 3.012 20 30 FGEDMO CCOCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000093313677 494866496 /nfs/dbraw/zinc/86/64/96/494866496.db2.gz WVSGDBZKKPXPLE-UHFFFAOYSA-N 1 1 372.444 3.012 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCCc2cccnc21 ZINC000126955717 494869105 /nfs/dbraw/zinc/86/91/05/494869105.db2.gz BVNMRGUUMJPXAR-NQIIRXRSSA-N 1 1 354.498 3.225 20 30 FGEDMO COc1ccccc1-c1ccc(C[N@@H+](CC(=O)NCC#N)C(C)C)cc1 ZINC000126971912 494870866 /nfs/dbraw/zinc/87/08/66/494870866.db2.gz IBWDGPCKGXPDOX-UHFFFAOYSA-N 1 1 351.450 3.212 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093611342 494904032 /nfs/dbraw/zinc/90/40/32/494904032.db2.gz PIERLYZQNITXAE-GOSISDBHSA-N 1 1 359.477 3.302 20 30 FGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000127239050 494914577 /nfs/dbraw/zinc/91/45/77/494914577.db2.gz NNCCHNMGLBNTSK-HZPDHXFCSA-N 1 1 351.454 3.050 20 30 FGEDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)cn1 ZINC000093869973 494929537 /nfs/dbraw/zinc/92/95/37/494929537.db2.gz HLODZJIOMUJRRB-SFHVURJKSA-N 1 1 374.492 3.262 20 30 FGEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093889179 494931474 /nfs/dbraw/zinc/93/14/74/494931474.db2.gz IKVJACCXKQOPMB-SXBQZSJRSA-N 1 1 352.463 3.136 20 30 FGEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093889179 494931478 /nfs/dbraw/zinc/93/14/78/494931478.db2.gz IKVJACCXKQOPMB-SXBQZSJRSA-N 1 1 352.463 3.136 20 30 FGEDMO C[C@H](c1ccc(NC(=O)NCc2cccc(C#N)c2)cc1)[NH+]1CCOCC1 ZINC000118028840 494971973 /nfs/dbraw/zinc/97/19/73/494971973.db2.gz FYCMVXYPZSUFEI-MRXNPFEDSA-N 1 1 364.449 3.273 20 30 FGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)cc1 ZINC000127836736 495005135 /nfs/dbraw/zinc/00/51/35/495005135.db2.gz VOBRHDFCCNDRER-IAGOWNOFSA-N 1 1 351.922 3.104 20 30 FGEDMO CCC1(CO)CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000127961016 495022772 /nfs/dbraw/zinc/02/27/72/495022772.db2.gz FUZRQFIKRUABNE-UHFFFAOYSA-N 1 1 357.498 3.035 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128196422 495059414 /nfs/dbraw/zinc/05/94/14/495059414.db2.gz YAWZOLOHUYPXDZ-CXAGYDPISA-N 1 1 371.403 3.460 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128196422 495059419 /nfs/dbraw/zinc/05/94/19/495059419.db2.gz YAWZOLOHUYPXDZ-CXAGYDPISA-N 1 1 371.403 3.460 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111320983 495064437 /nfs/dbraw/zinc/06/44/37/495064437.db2.gz ALGFALZXADCZJA-JZWPEALZSA-N 1 1 359.495 3.007 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111320983 495064440 /nfs/dbraw/zinc/06/44/40/495064440.db2.gz ALGFALZXADCZJA-JZWPEALZSA-N 1 1 359.495 3.007 20 30 FGEDMO C=C[C@@H](C)NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000128443304 495097697 /nfs/dbraw/zinc/09/76/97/495097697.db2.gz POPMBILGVPLQER-OAHLLOKOSA-N 1 1 354.454 3.180 20 30 FGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000577593906 505761161 /nfs/dbraw/zinc/76/11/61/505761161.db2.gz AQJGHYAPOJJYMY-HBFSDRIKSA-N 1 1 352.482 3.204 20 30 FGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000134129162 495110243 /nfs/dbraw/zinc/11/02/43/495110243.db2.gz QIAKYPLESHIOMH-FQEVSTJZSA-N 1 1 356.514 3.458 20 30 FGEDMO COc1ccc(C[N@@H+](CC(C)(C)CCC#N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000119197429 495115908 /nfs/dbraw/zinc/11/59/08/495115908.db2.gz ICZHFCJJKYZIMM-QGZVFWFLSA-N 1 1 364.511 3.014 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000571568391 505762790 /nfs/dbraw/zinc/76/27/90/505762790.db2.gz PAQGFAWGBBJSOJ-FQEVSTJZSA-N 1 1 369.396 3.033 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](CO)C(C)(C)C ZINC000134421168 495146961 /nfs/dbraw/zinc/14/69/61/495146961.db2.gz CCVGCOFQGUIXGH-INIZCTEOSA-N 1 1 363.527 3.166 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@H](CO)C(C)(C)C)c1C#N ZINC000134441770 495150006 /nfs/dbraw/zinc/15/00/06/495150006.db2.gz ZWPPXZLTPTWNAU-GOSISDBHSA-N 1 1 374.529 3.369 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@@H+](C)C(C)(C)C1 ZINC000577623340 505766748 /nfs/dbraw/zinc/76/67/48/505766748.db2.gz MIDZHXZIFYDCRG-HNNXBMFYSA-N 1 1 360.527 3.045 20 30 FGEDMO C[N@H+](CCc1ccccn1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000123866981 495198765 /nfs/dbraw/zinc/19/87/65/495198765.db2.gz HFFZPASREHDECV-UHFFFAOYSA-N 1 1 356.857 3.156 20 30 FGEDMO C[N@@H+](CCc1ccccn1)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000123866981 495198770 /nfs/dbraw/zinc/19/87/70/495198770.db2.gz HFFZPASREHDECV-UHFFFAOYSA-N 1 1 356.857 3.156 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000119690296 495219893 /nfs/dbraw/zinc/21/98/93/495219893.db2.gz CINVYDUGTRVGIE-IRXDYDNUSA-N 1 1 350.528 3.398 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(CCC#N)CC2)cc1 ZINC000568744969 505768360 /nfs/dbraw/zinc/76/83/60/505768360.db2.gz LWIDDWNTJGTECN-UHFFFAOYSA-N 1 1 368.481 3.348 20 30 FGEDMO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000571597389 505769226 /nfs/dbraw/zinc/76/92/26/505769226.db2.gz GZZDOMRCUPQXCS-PXNSSMCTSA-N 1 1 357.498 3.186 20 30 FGEDMO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000571597388 505769237 /nfs/dbraw/zinc/76/92/37/505769237.db2.gz GZZDOMRCUPQXCS-FXAWDEMLSA-N 1 1 357.498 3.186 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129672555 495278972 /nfs/dbraw/zinc/27/89/72/495278972.db2.gz GJFOXJWEVBPMCC-AOIWGVFYSA-N 1 1 372.538 3.431 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1Cl ZINC000113267333 495291661 /nfs/dbraw/zinc/29/16/61/495291661.db2.gz ZJYLWVRUFDYTOW-WMZOPIPTSA-N 1 1 374.916 3.064 20 30 FGEDMO CN(Cc1cccs1)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963383 495319187 /nfs/dbraw/zinc/31/91/87/495319187.db2.gz VTBQXVSGNREWGS-UHFFFAOYSA-N 1 1 369.490 3.122 20 30 FGEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000135635813 495321514 /nfs/dbraw/zinc/32/15/14/495321514.db2.gz WONDJITUJQRPBR-KRWDZBQOSA-N 1 1 371.872 3.283 20 30 FGEDMO C=CCNc1ncc(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000130138486 495346691 /nfs/dbraw/zinc/34/66/91/495346691.db2.gz LEBLJEUMLDSGLQ-GOEBONIOSA-N 1 1 356.495 3.134 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000105359593 495358486 /nfs/dbraw/zinc/35/84/86/495358486.db2.gz WYFSNGIIDCTUKZ-SFHVURJKSA-N 1 1 369.509 3.399 20 30 FGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000105462899 495365775 /nfs/dbraw/zinc/36/57/75/495365775.db2.gz SFCRDLOSGFHLCT-INIZCTEOSA-N 1 1 352.457 3.300 20 30 FGEDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000120587399 495411381 /nfs/dbraw/zinc/41/13/81/495411381.db2.gz VJCBMUIKGWTBPO-LJQANCHMSA-N 1 1 354.450 3.217 20 30 FGEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccc(C#N)cc1C)c1ccccc1 ZINC000120615165 495418154 /nfs/dbraw/zinc/41/81/54/495418154.db2.gz QYEFBBLEOWSDOM-OAQYLSRUSA-N 1 1 365.477 3.306 20 30 FGEDMO C[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)[N@@H+](C)C1CC1 ZINC000115360898 495494999 /nfs/dbraw/zinc/49/49/99/495494999.db2.gz LPMJTMNAMMOTBO-MRXNPFEDSA-N 1 1 363.461 3.350 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2)C[C@@H](C)O1 ZINC000143633579 495536950 /nfs/dbraw/zinc/53/69/50/495536950.db2.gz OHIXLARJTGARQL-IAGOWNOFSA-N 1 1 363.461 3.444 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCO[C@H](C)C3)sc2C1 ZINC000170768623 495596859 /nfs/dbraw/zinc/59/68/59/495596859.db2.gz BQCUNZJJKUMLNV-UONOGXRCSA-N 1 1 361.511 3.184 20 30 FGEDMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)C1CC1 ZINC000580587437 505791848 /nfs/dbraw/zinc/79/18/48/505791848.db2.gz KWJLAAKRHNMTCJ-JLTOFOAXSA-N 1 1 368.506 3.284 20 30 FGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)C1CC1 ZINC000580587437 505791850 /nfs/dbraw/zinc/79/18/50/505791850.db2.gz KWJLAAKRHNMTCJ-JLTOFOAXSA-N 1 1 368.506 3.284 20 30 FGEDMO C[C@@H](CCNC(=O)c1ccccc1OCC#N)[N@@H+](C)Cc1ccccc1 ZINC000173596811 495604471 /nfs/dbraw/zinc/60/44/71/495604471.db2.gz SMZJDMVETSRIBU-KRWDZBQOSA-N 1 1 351.450 3.229 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000173603795 495609550 /nfs/dbraw/zinc/60/95/50/495609550.db2.gz VMFGESOWFGIWLT-ROUUACIJSA-N 1 1 365.477 3.352 20 30 FGEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1c[nH]c(C#N)c1 ZINC000182565506 495618342 /nfs/dbraw/zinc/61/83/42/495618342.db2.gz OCSLPSJAJLYJAW-IBGZPJMESA-N 1 1 374.448 3.091 20 30 FGEDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000170878167 495637715 /nfs/dbraw/zinc/63/77/15/495637715.db2.gz FZZCHPPHKGAIDT-CYBMUJFWSA-N 1 1 352.385 3.013 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(C#N)cc2F)c1 ZINC000170935406 495658121 /nfs/dbraw/zinc/65/81/21/495658121.db2.gz DKMRQYWAIYBMBB-UHFFFAOYSA-N 1 1 354.429 3.148 20 30 FGEDMO C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720669 495697119 /nfs/dbraw/zinc/69/71/19/495697119.db2.gz ZFHKCLTXIXHMLF-MOPGFXCFSA-N 1 1 368.525 3.176 20 30 FGEDMO C=CCOc1c(Br)cc(C[NH+]2CCC(C)(O)CC2)cc1OC ZINC000179724861 495705971 /nfs/dbraw/zinc/70/59/71/495705971.db2.gz QKXOKMYKHBKJQJ-UHFFFAOYSA-N 1 1 370.287 3.369 20 30 FGEDMO C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182845410 495725958 /nfs/dbraw/zinc/72/59/58/495725958.db2.gz XJWAPNYSCUSCAC-APWZRJJASA-N 1 1 354.498 3.353 20 30 FGEDMO C[C@@H](C#N)CNC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000182874232 495736504 /nfs/dbraw/zinc/73/65/04/495736504.db2.gz GGLFLOAORBCDIE-INIZCTEOSA-N 1 1 360.461 3.243 20 30 FGEDMO CC(C)Cn1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000183008069 495796427 /nfs/dbraw/zinc/79/64/27/495796427.db2.gz CWUOONYZUUOQFY-UHFFFAOYSA-N 1 1 351.498 3.119 20 30 FGEDMO CC(C)Cn1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000183008069 495796436 /nfs/dbraw/zinc/79/64/36/495796436.db2.gz CWUOONYZUUOQFY-UHFFFAOYSA-N 1 1 351.498 3.119 20 30 FGEDMO CC(C)Cn1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 ZINC000183008069 495796442 /nfs/dbraw/zinc/79/64/42/495796442.db2.gz CWUOONYZUUOQFY-UHFFFAOYSA-N 1 1 351.498 3.119 20 30 FGEDMO Cc1cc[nH+]c(N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)c1 ZINC000151294167 495797199 /nfs/dbraw/zinc/79/71/99/495797199.db2.gz HQBCIAUIXIUMKG-LJQANCHMSA-N 1 1 363.465 3.267 20 30 FGEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000171323877 495821810 /nfs/dbraw/zinc/82/18/10/495821810.db2.gz UWSBCHLVACNEKO-HNNXBMFYSA-N 1 1 351.454 3.074 20 30 FGEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000159887669 495833037 /nfs/dbraw/zinc/83/30/37/495833037.db2.gz YMBLBWVAZBCFET-SFHVURJKSA-N 1 1 366.465 3.342 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000159955773 495849301 /nfs/dbraw/zinc/84/93/01/495849301.db2.gz XZUSVWQYFYTKFT-DYESRHJHSA-N 1 1 362.477 3.363 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000571765508 505809981 /nfs/dbraw/zinc/80/99/81/505809981.db2.gz ALNJXXXQMZDWNS-KRWDZBQOSA-N 1 1 364.405 3.317 20 30 FGEDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(C#N)cs3)CC[N@@H+]2C2CC2)c1 ZINC000183262560 495906169 /nfs/dbraw/zinc/90/61/69/495906169.db2.gz FSOAFNWBROTGAQ-PKOBYXMFSA-N 1 1 367.474 3.336 20 30 FGEDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(C#N)cs3)CC[N@H+]2C2CC2)c1 ZINC000183262560 495906173 /nfs/dbraw/zinc/90/61/73/495906173.db2.gz FSOAFNWBROTGAQ-PKOBYXMFSA-N 1 1 367.474 3.336 20 30 FGEDMO C[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000151656834 495909443 /nfs/dbraw/zinc/90/94/43/495909443.db2.gz XXMTUDLDZJMUHY-UTKZUKDTSA-N 1 1 363.461 3.027 20 30 FGEDMO C[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc(C#N)cc1 ZINC000151656834 495909450 /nfs/dbraw/zinc/90/94/50/495909450.db2.gz XXMTUDLDZJMUHY-UTKZUKDTSA-N 1 1 363.461 3.027 20 30 FGEDMO C=CC[C@@H](C)[C@H](C)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000183282180 495914629 /nfs/dbraw/zinc/91/46/29/495914629.db2.gz APKQYZYEECGZLX-CVEARBPZSA-N 1 1 363.477 3.499 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000171536883 495918626 /nfs/dbraw/zinc/91/86/26/495918626.db2.gz KYAMJJQXXSCRFK-UHFFFAOYSA-N 1 1 356.491 3.282 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+](CCO)[C@H]2CCc3ccccc32)c(C#N)c1C ZINC000177165585 495955904 /nfs/dbraw/zinc/95/59/04/495955904.db2.gz ODWKURVBBJKYCZ-SFHVURJKSA-N 1 1 369.490 3.157 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)c(C#N)c1C ZINC000177165585 495955907 /nfs/dbraw/zinc/95/59/07/495955907.db2.gz ODWKURVBBJKYCZ-SFHVURJKSA-N 1 1 369.490 3.157 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl ZINC000171630628 495956407 /nfs/dbraw/zinc/95/64/07/495956407.db2.gz GTVMXQDISYUPHS-CQSZACIVSA-N 1 1 357.845 3.143 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1Cl ZINC000171630628 495956409 /nfs/dbraw/zinc/95/64/09/495956409.db2.gz GTVMXQDISYUPHS-CQSZACIVSA-N 1 1 357.845 3.143 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1Cl ZINC000171630628 495956410 /nfs/dbraw/zinc/95/64/10/495956410.db2.gz GTVMXQDISYUPHS-CQSZACIVSA-N 1 1 357.845 3.143 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000186515060 496027573 /nfs/dbraw/zinc/02/75/73/496027573.db2.gz IUGCWYOMFCOVFR-AWEZNQCLSA-N 1 1 355.463 3.049 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000186515060 496027579 /nfs/dbraw/zinc/02/75/79/496027579.db2.gz IUGCWYOMFCOVFR-AWEZNQCLSA-N 1 1 355.463 3.049 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CCCC[NH+]1CCOCC1 ZINC000171826787 496053992 /nfs/dbraw/zinc/05/39/92/496053992.db2.gz JXXKDGXIPWJFSJ-INIZCTEOSA-N 1 1 361.511 3.379 20 30 FGEDMO C=CCN(CC=C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000183765555 496109051 /nfs/dbraw/zinc/10/90/51/496109051.db2.gz WICGTWLXKGNKGO-PMACEKPBSA-N 1 1 355.482 3.357 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000155958402 496118513 /nfs/dbraw/zinc/11/85/13/496118513.db2.gz OIMGMCPGKISPHA-OAQYLSRUSA-N 1 1 363.461 3.160 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155978604 496123281 /nfs/dbraw/zinc/12/32/81/496123281.db2.gz JNEIYSAXAPPJEG-GOSISDBHSA-N 1 1 369.490 3.221 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](CCC)CCO)cc1OC ZINC000161216558 496129469 /nfs/dbraw/zinc/12/94/69/496129469.db2.gz NKSULDCGNUCRAC-UHFFFAOYSA-N 1 1 358.276 3.227 20 30 FGEDMO CC[NH+]1CCN(C(=O)Cc2ccc(NCC(C)(C)CCC#N)cc2)CC1 ZINC000152415767 496144987 /nfs/dbraw/zinc/14/49/87/496144987.db2.gz SGYDHHHTCNYAOW-UHFFFAOYSA-N 1 1 356.514 3.135 20 30 FGEDMO Cc1ccc(N2CCC(C(=O)N[C@]3(C#N)CCc4ccccc4C3)CC2)[nH+]c1 ZINC000183975418 496184819 /nfs/dbraw/zinc/18/48/19/496184819.db2.gz WKYABPTXWPFPQO-HSZRJFAPSA-N 1 1 374.488 3.174 20 30 FGEDMO CCC[C@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1CCOC ZINC000156265243 496201638 /nfs/dbraw/zinc/20/16/38/496201638.db2.gz INWCRNPMDYASIU-INIZCTEOSA-N 1 1 364.877 3.176 20 30 FGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000180948854 496213902 /nfs/dbraw/zinc/21/39/02/496213902.db2.gz HWALNVVFIWBXAA-GOSISDBHSA-N 1 1 367.474 3.040 20 30 FGEDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)/C=C/c2ccc(OCC#N)cc2)c1 ZINC000156623496 496294929 /nfs/dbraw/zinc/29/49/29/496294929.db2.gz NZQLXVHBRAUYSD-QPJJXVBHSA-N 1 1 359.389 3.130 20 30 FGEDMO N#Cc1c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cn2ccccc12 ZINC000178051537 496305461 /nfs/dbraw/zinc/30/54/61/496305461.db2.gz CSTGFBXXMSAADO-SFHVURJKSA-N 1 1 372.472 3.453 20 30 FGEDMO N#Cc1c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cn2ccccc12 ZINC000178051537 496305468 /nfs/dbraw/zinc/30/54/68/496305468.db2.gz CSTGFBXXMSAADO-SFHVURJKSA-N 1 1 372.472 3.453 20 30 FGEDMO C[C@@H](CCNC(=O)NCc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000175265115 496314432 /nfs/dbraw/zinc/31/44/32/496314432.db2.gz QIEWBLAOGLLWOI-KRWDZBQOSA-N 1 1 350.466 3.268 20 30 FGEDMO Cc1ccc(C[C@H]2CCC[N@@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000156752677 496326799 /nfs/dbraw/zinc/32/67/99/496326799.db2.gz FWFLEJXANILFBI-HXUWFJFHSA-N 1 1 368.502 3.348 20 30 FGEDMO Cc1ccc(C[C@H]2CCC[N@H+]2CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000156752677 496326802 /nfs/dbraw/zinc/32/68/02/496326802.db2.gz FWFLEJXANILFBI-HXUWFJFHSA-N 1 1 368.502 3.348 20 30 FGEDMO Cc1ccc(C[C@H](C)[N@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000156774069 496331510 /nfs/dbraw/zinc/33/15/10/496331510.db2.gz MDUBUIQJCDUMGW-KRWDZBQOSA-N 1 1 356.491 3.203 20 30 FGEDMO Cc1ccc(C[C@H](C)[N@@H+](C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000156774069 496331513 /nfs/dbraw/zinc/33/15/13/496331513.db2.gz MDUBUIQJCDUMGW-KRWDZBQOSA-N 1 1 356.491 3.203 20 30 FGEDMO CC[C@](C)([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C)cs1 ZINC000156917998 496363264 /nfs/dbraw/zinc/36/32/64/496363264.db2.gz DZMZMQUEOHLVSR-KRWDZBQOSA-N 1 1 363.508 3.012 20 30 FGEDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000178292331 496401585 /nfs/dbraw/zinc/40/15/85/496401585.db2.gz HCLMQZUIMKFJSQ-INIZCTEOSA-N 1 1 372.490 3.424 20 30 FGEDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000178292331 496401588 /nfs/dbraw/zinc/40/15/88/496401588.db2.gz HCLMQZUIMKFJSQ-INIZCTEOSA-N 1 1 372.490 3.424 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCOc1ccc(Cl)cc1Cl ZINC000153268536 496404105 /nfs/dbraw/zinc/40/41/05/496404105.db2.gz MURYOLINSOQXPK-UHFFFAOYSA-N 1 1 368.268 3.114 20 30 FGEDMO C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181663858 496493587 /nfs/dbraw/zinc/49/35/87/496493587.db2.gz AFCHOLIDTOAZRN-WMZOPIPTSA-N 1 1 369.509 3.485 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000163316197 496497518 /nfs/dbraw/zinc/49/75/18/496497518.db2.gz AVKIPEPLZIHIBS-IBGZPJMESA-N 1 1 359.539 3.276 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2C)[C@H](C)C1 ZINC000178573510 496503794 /nfs/dbraw/zinc/50/37/94/496503794.db2.gz FLKNSHQODCIRFC-QAPCUYQASA-N 1 1 358.486 3.125 20 30 FGEDMO CC[C@]1(CO)CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000187619381 496513436 /nfs/dbraw/zinc/51/34/36/496513436.db2.gz CYGLXXLFVYVTCE-IBGZPJMESA-N 1 1 363.889 3.071 20 30 FGEDMO CC[C@]1(CO)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000187619381 496513439 /nfs/dbraw/zinc/51/34/39/496513439.db2.gz CYGLXXLFVYVTCE-IBGZPJMESA-N 1 1 363.889 3.071 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000157606461 496514496 /nfs/dbraw/zinc/51/44/96/496514496.db2.gz GFAAIPUPLKPNAJ-KDURUIRLSA-N 1 1 359.945 3.182 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)C ZINC000178616735 496516176 /nfs/dbraw/zinc/51/61/76/496516176.db2.gz FEGHFGJAQLNIGK-INIZCTEOSA-N 1 1 372.513 3.086 20 30 FGEDMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC000157721756 496538378 /nfs/dbraw/zinc/53/83/78/496538378.db2.gz RUBGAHKZJLJGAT-GOSISDBHSA-N 1 1 351.425 3.231 20 30 FGEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3C#N)CC2)cc1 ZINC000187812848 496580610 /nfs/dbraw/zinc/58/06/10/496580610.db2.gz VDLBWQBMDBMIAL-UHFFFAOYSA-N 1 1 367.424 3.054 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3C#N)CC2)cc1 ZINC000187812848 496580615 /nfs/dbraw/zinc/58/06/15/496580615.db2.gz VDLBWQBMDBMIAL-UHFFFAOYSA-N 1 1 367.424 3.054 20 30 FGEDMO N#Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000569104504 505854605 /nfs/dbraw/zinc/85/46/05/505854605.db2.gz JYCPHIIWTHBFGJ-GOSISDBHSA-N 1 1 374.366 3.346 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)C12CCC2 ZINC000154024770 496658885 /nfs/dbraw/zinc/65/88/85/496658885.db2.gz FYXDTIYOCPUVIN-HZPDHXFCSA-N 1 1 361.511 3.455 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)C12CCC2 ZINC000154024770 496658889 /nfs/dbraw/zinc/65/88/89/496658889.db2.gz FYXDTIYOCPUVIN-HZPDHXFCSA-N 1 1 361.511 3.455 20 30 FGEDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000158327857 496677577 /nfs/dbraw/zinc/67/75/77/496677577.db2.gz VMCQKIBGJOZNGV-AWEZNQCLSA-N 1 1 362.882 3.032 20 30 FGEDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000158327857 496677580 /nfs/dbraw/zinc/67/75/80/496677580.db2.gz VMCQKIBGJOZNGV-AWEZNQCLSA-N 1 1 362.882 3.032 20 30 FGEDMO C[N@H+](Cc1ccccc1)[C@H](CNCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000185223059 496708810 /nfs/dbraw/zinc/70/88/10/496708810.db2.gz BMJXHHWLSHXVFT-OAQYLSRUSA-N 1 1 359.477 3.206 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNCc1cnc2ccc(C#N)cn12)C1CC1 ZINC000185223059 496708815 /nfs/dbraw/zinc/70/88/15/496708815.db2.gz BMJXHHWLSHXVFT-OAQYLSRUSA-N 1 1 359.477 3.206 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)c1ccccc1Cl ZINC000179233534 496718410 /nfs/dbraw/zinc/71/84/10/496718410.db2.gz IWTQDZHUNCIJKD-IBGZPJMESA-N 1 1 371.868 3.204 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](CO)CC(C)C)ccc1Cl ZINC000185314540 496728345 /nfs/dbraw/zinc/72/83/45/496728345.db2.gz OJZGWDNYAPRPFX-KRWDZBQOSA-N 1 1 365.905 3.234 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c2ccccc21 ZINC000246962278 496737011 /nfs/dbraw/zinc/73/70/11/496737011.db2.gz XNTUONDZXPUUPC-KKSFZXQISA-N 1 1 351.450 3.239 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c2ccccc21 ZINC000246962278 496737017 /nfs/dbraw/zinc/73/70/17/496737017.db2.gz XNTUONDZXPUUPC-KKSFZXQISA-N 1 1 351.450 3.239 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000246962559 496737324 /nfs/dbraw/zinc/73/73/24/496737324.db2.gz CINVYDUGTRVGIE-SJORKVTESA-N 1 1 350.528 3.398 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247007362 496750601 /nfs/dbraw/zinc/75/06/01/496750601.db2.gz IVTYNHVWSDWYNQ-SYYKKAFVSA-N 1 1 370.541 3.026 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 ZINC000268635319 496750672 /nfs/dbraw/zinc/75/06/72/496750672.db2.gz CLMCLDXVRLVZQY-HNNXBMFYSA-N 1 1 357.458 3.342 20 30 FGEDMO COc1ccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1OCCCC#N ZINC000247051854 496764319 /nfs/dbraw/zinc/76/43/19/496764319.db2.gz VAXOLEGSJJBMLI-GBESFXJTSA-N 1 1 374.481 3.146 20 30 FGEDMO COc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1OCCCC#N ZINC000247051854 496764323 /nfs/dbraw/zinc/76/43/23/496764323.db2.gz VAXOLEGSJJBMLI-GBESFXJTSA-N 1 1 374.481 3.146 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000247073996 496770756 /nfs/dbraw/zinc/77/07/56/496770756.db2.gz VFMHFJAOPWBHBR-YLJYHZDGSA-N 1 1 354.498 3.354 20 30 FGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)CCCC[NH+]1CCOCC1 ZINC000263950700 496771295 /nfs/dbraw/zinc/77/12/95/496771295.db2.gz XAYQRMVUOXMTKF-UHFFFAOYSA-N 1 1 356.919 3.419 20 30 FGEDMO N#Cc1ccc(C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C2CC2)cc1 ZINC000194963618 496774281 /nfs/dbraw/zinc/77/42/81/496774281.db2.gz ISOLWDHAVCXDPA-UHFFFAOYSA-N 1 1 364.836 3.384 20 30 FGEDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191479811 496776858 /nfs/dbraw/zinc/77/68/58/496776858.db2.gz ORMGUBJKCHVULG-OALUTQOASA-N 1 1 361.489 3.472 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000247192172 496801717 /nfs/dbraw/zinc/80/17/17/496801717.db2.gz QIOHMSDMKRZIBF-JKSUJKDBSA-N 1 1 361.511 3.235 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](CO)c2ccccc2)c1C ZINC000264064337 496802853 /nfs/dbraw/zinc/80/28/53/496802853.db2.gz XVVMYDBNKLZCAH-OAQYLSRUSA-N 1 1 365.477 3.216 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](CO)c2ccccc2)c1C ZINC000264064337 496802857 /nfs/dbraw/zinc/80/28/57/496802857.db2.gz XVVMYDBNKLZCAH-OAQYLSRUSA-N 1 1 365.477 3.216 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(OCCc3ccccc3)CC2)CCCCC1 ZINC000195214535 496852507 /nfs/dbraw/zinc/85/25/07/496852507.db2.gz HTYSOKRJGYJWMZ-UHFFFAOYSA-N 1 1 369.509 3.053 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247459896 496863420 /nfs/dbraw/zinc/86/34/20/496863420.db2.gz QSAMHTIPGALPHB-GVDBMIGSSA-N 1 1 372.538 3.188 20 30 FGEDMO C=CCC1(C(=O)NCc2ccc(C[NH+]3CCN(CC)CC3)cc2)CCC1 ZINC000188735923 496892339 /nfs/dbraw/zinc/89/23/39/496892339.db2.gz MKGYEZCOYNQNPJ-UHFFFAOYSA-N 1 1 355.526 3.187 20 30 FGEDMO Cc1ncsc1/C=C/C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000188761366 496900203 /nfs/dbraw/zinc/90/02/03/496900203.db2.gz KDPCEVNVOBKSDT-BQYQJAHWSA-N 1 1 366.490 3.071 20 30 FGEDMO C=CCC(CC=C)c1nc(-c2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)no1 ZINC000273820552 496919336 /nfs/dbraw/zinc/91/93/36/496919336.db2.gz IZPQZMZNGSSSLM-SFHVURJKSA-N 1 1 366.465 3.422 20 30 FGEDMO C=CCC(CC=C)c1nc(-c2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)no1 ZINC000273820552 496919342 /nfs/dbraw/zinc/91/93/42/496919342.db2.gz IZPQZMZNGSSSLM-SFHVURJKSA-N 1 1 366.465 3.422 20 30 FGEDMO N#CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000264520599 496919574 /nfs/dbraw/zinc/91/95/74/496919574.db2.gz ACUKOSKCHHVARR-UHFFFAOYSA-N 1 1 367.424 3.076 20 30 FGEDMO CCOc1cc(C[NH2+][C@H](CC)CC#N)ccc1OCC(=O)N1CCCCC1 ZINC000273886514 496944204 /nfs/dbraw/zinc/94/42/04/496944204.db2.gz SIZXLKUCCDNRRK-GOSISDBHSA-N 1 1 373.497 3.258 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000248140978 496961228 /nfs/dbraw/zinc/96/12/28/496961228.db2.gz YLXLCNDHKHQEOI-XLIONFOSSA-N 1 1 372.852 3.105 20 30 FGEDMO C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189051351 496992218 /nfs/dbraw/zinc/99/22/18/496992218.db2.gz SFTNOPRCOVZHJF-FUHWJXTLSA-N 1 1 351.494 3.359 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000248398068 496994492 /nfs/dbraw/zinc/99/44/92/496994492.db2.gz MNIAXOWHAZWTBT-QFBILLFUSA-N 1 1 358.449 3.386 20 30 FGEDMO N#Cc1c(F)cccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000189065042 496996342 /nfs/dbraw/zinc/99/63/42/496996342.db2.gz UPLPLXWVXNTHMW-AWEZNQCLSA-N 1 1 357.454 3.401 20 30 FGEDMO CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N ZINC000269819844 497006856 /nfs/dbraw/zinc/00/68/56/497006856.db2.gz IJVBRPOBVCTFSW-CZUORRHYSA-N 1 1 373.457 3.073 20 30 FGEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000264998671 497029353 /nfs/dbraw/zinc/02/93/53/497029353.db2.gz OPLUKNWBFMIBDV-UHFFFAOYSA-N 1 1 351.450 3.058 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)COc2ccc(C#N)cc2)C1 ZINC000265061426 497039403 /nfs/dbraw/zinc/03/94/03/497039403.db2.gz PMGHIOFFDIBKJH-PKOBYXMFSA-N 1 1 355.482 3.050 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000226477853 497082850 /nfs/dbraw/zinc/08/28/50/497082850.db2.gz GKJJGXLQSQPAHK-KSZLIROESA-N 1 1 357.498 3.200 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000227265279 497088047 /nfs/dbraw/zinc/08/80/47/497088047.db2.gz XWGIZYZUEWTWLJ-MBOZVWFJSA-N 1 1 357.498 3.198 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000227419811 497088824 /nfs/dbraw/zinc/08/88/24/497088824.db2.gz OFBSTQGKMGGYJH-UWVAXJGDSA-N 1 1 357.498 3.198 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000278418806 497107947 /nfs/dbraw/zinc/10/79/47/497107947.db2.gz SXEGYECALBMGGR-MRXNPFEDSA-N 1 1 365.433 3.099 20 30 FGEDMO C#CCC(CC#C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000278492489 497132639 /nfs/dbraw/zinc/13/26/39/497132639.db2.gz YZHPFBUJNBISOM-QFBILLFUSA-N 1 1 360.860 3.251 20 30 FGEDMO CC[C@](C)([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nccs1 ZINC000192680638 497182655 /nfs/dbraw/zinc/18/26/55/497182655.db2.gz SPDSKBOBTWVLLR-APWZRJJASA-N 1 1 354.479 3.425 20 30 FGEDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000581016066 505890899 /nfs/dbraw/zinc/89/08/99/505890899.db2.gz UPJQRDHDGSBQDG-OAQYLSRUSA-N 1 1 364.493 3.449 20 30 FGEDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000278782628 497218447 /nfs/dbraw/zinc/21/84/47/497218447.db2.gz XKYLENZDLNLRIP-MRXNPFEDSA-N 1 1 366.427 3.242 20 30 FGEDMO COc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1OCCCC#N ZINC000271012135 497245832 /nfs/dbraw/zinc/24/58/32/497245832.db2.gz PVIPJVJKCNXGJC-UHFFFAOYSA-N 1 1 354.450 3.372 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCCCCO)sc2C1 ZINC000278883560 497254586 /nfs/dbraw/zinc/25/45/86/497254586.db2.gz NJHMWCCVGREQID-AWEZNQCLSA-N 1 1 363.527 3.168 20 30 FGEDMO CCOc1ccnc(N2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000189930029 497296721 /nfs/dbraw/zinc/29/67/21/497296721.db2.gz UBJNPGGREBPZRD-INIZCTEOSA-N 1 1 351.454 3.020 20 30 FGEDMO C[N@@H+](CCC1CCOCC1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279329067 497408809 /nfs/dbraw/zinc/40/88/09/497408809.db2.gz COULLOKJYVWLQW-UHFFFAOYSA-N 1 1 353.470 3.107 20 30 FGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@@H](C)C2)c1C#N ZINC000261392362 497409385 /nfs/dbraw/zinc/40/93/85/497409385.db2.gz SVZPRRBZTHEIAC-CYBMUJFWSA-N 1 1 354.429 3.385 20 30 FGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1C#N ZINC000261392362 497409389 /nfs/dbraw/zinc/40/93/89/497409389.db2.gz SVZPRRBZTHEIAC-CYBMUJFWSA-N 1 1 354.429 3.385 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000245451351 497414085 /nfs/dbraw/zinc/41/40/85/497414085.db2.gz PJXFOZZNOWWSQH-YLJYHZDGSA-N 1 1 363.461 3.424 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1 ZINC000245556607 497456021 /nfs/dbraw/zinc/45/60/21/497456021.db2.gz UKFZDAHHBUVRCT-IRFCIJBXSA-N 1 1 371.525 3.422 20 30 FGEDMO N#Cc1ccc(SCC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000193766600 497474878 /nfs/dbraw/zinc/47/48/78/497474878.db2.gz VCWYXDJOSZIWPD-LJQANCHMSA-N 1 1 365.502 3.289 20 30 FGEDMO C=CCN(C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2)C1CC1 ZINC000276052484 497489603 /nfs/dbraw/zinc/48/96/03/497489603.db2.gz KEBQCNGLYVNGHD-OAHLLOKOSA-N 1 1 355.482 3.162 20 30 FGEDMO CC(C)(C#N)CCN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000272026423 497516710 /nfs/dbraw/zinc/51/67/10/497516710.db2.gz NYXAZVQCUBVZEY-UHFFFAOYSA-N 1 1 373.526 3.288 20 30 FGEDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)ccc1F ZINC000190620266 497548950 /nfs/dbraw/zinc/54/89/50/497548950.db2.gz BWDLURVUUFSGCO-BFUOFWGJSA-N 1 1 355.388 3.288 20 30 FGEDMO Cc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000245857381 497552109 /nfs/dbraw/zinc/55/21/09/497552109.db2.gz KHUKGTIBIRNZSK-WMZOPIPTSA-N 1 1 354.841 3.090 20 30 FGEDMO Cc1nc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000245857381 497552112 /nfs/dbraw/zinc/55/21/12/497552112.db2.gz KHUKGTIBIRNZSK-WMZOPIPTSA-N 1 1 354.841 3.090 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279893932 497579540 /nfs/dbraw/zinc/57/95/40/497579540.db2.gz DBUMNPUIMCYPTO-BEFAXECRSA-N 1 1 361.511 3.256 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000279893932 497579544 /nfs/dbraw/zinc/57/95/44/497579544.db2.gz DBUMNPUIMCYPTO-BEFAXECRSA-N 1 1 361.511 3.256 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280089720 497644991 /nfs/dbraw/zinc/64/49/91/497644991.db2.gz RUGCUBKWFJIBOT-LJQANCHMSA-N 1 1 374.444 3.014 20 30 FGEDMO CCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000246282667 497682039 /nfs/dbraw/zinc/68/20/39/497682039.db2.gz WZLFVROKVVIEHZ-RTBURBONSA-N 1 1 357.498 3.297 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000246291636 497685978 /nfs/dbraw/zinc/68/59/78/497685978.db2.gz IMIWGFLHFJQRBE-WOJBJXKFSA-N 1 1 369.509 3.342 20 30 FGEDMO C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272646825 497689600 /nfs/dbraw/zinc/68/96/00/497689600.db2.gz DHIGUDIMCHNDNY-SOLBZPMBSA-N 1 1 355.482 3.095 20 30 FGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cnc2c(c1)c(C)nn2C ZINC000194533100 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ZINC000277222002 497780375 /nfs/dbraw/zinc/78/03/75/497780375.db2.gz GCLRJEWFIBMNSI-UHFFFAOYSA-N 1 1 359.473 3.008 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246787530 497810857 /nfs/dbraw/zinc/81/08/57/497810857.db2.gz BKCKQRRHVNYAQJ-IKGGRYGDSA-N 1 1 372.538 3.045 20 30 FGEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N[C@H]1CCCNC1=O ZINC000329593883 497838985 /nfs/dbraw/zinc/83/89/85/497838985.db2.gz ZXWNEFZMNLORJZ-ROUUACIJSA-N 1 1 372.513 3.082 20 30 FGEDMO Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000329594847 497839025 /nfs/dbraw/zinc/83/90/25/497839025.db2.gz HXTOVCGHZBFTFY-LJQANCHMSA-N 1 1 359.518 3.149 20 30 FGEDMO C=CCCCCNC(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000364208747 497841278 /nfs/dbraw/zinc/84/12/78/497841278.db2.gz WGXSJGJYFQSEQQ-UHFFFAOYSA-N 1 1 350.532 3.319 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC3(C2)Oc2ccccc2O3)C1 ZINC000329622786 497848225 /nfs/dbraw/zinc/84/82/25/497848225.db2.gz FWZOUFGJFVIEEA-INIZCTEOSA-N 1 1 373.497 3.284 20 30 FGEDMO CC(=O)N1C[C@H](CCC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000329620884 497848876 /nfs/dbraw/zinc/84/88/76/497848876.db2.gz MWLWQKFGFSNNOW-SJORKVTESA-N 1 1 355.482 3.358 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)sc2c1CCCC2 ZINC000329650469 497857956 /nfs/dbraw/zinc/85/79/56/497857956.db2.gz KNJSXEBBVXUKSJ-APHBMKBZSA-N 1 1 359.495 3.179 20 30 FGEDMO Cc1cccc(NC(=O)NC(=O)CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1C ZINC000329678216 497866294 /nfs/dbraw/zinc/86/62/94/497866294.db2.gz WXKKCCYRYSKZLS-NVXWUHKLSA-N 1 1 358.486 3.364 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCOCC2(CCC2)C1 ZINC000329724330 497881539 /nfs/dbraw/zinc/88/15/39/497881539.db2.gz BNNKLROCULXUEH-OAHLLOKOSA-N 1 1 360.454 3.327 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCOCC2(CCC2)C1 ZINC000329724330 497881544 /nfs/dbraw/zinc/88/15/44/497881544.db2.gz BNNKLROCULXUEH-OAHLLOKOSA-N 1 1 360.454 3.327 20 30 FGEDMO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000295998541 497885256 /nfs/dbraw/zinc/88/52/56/497885256.db2.gz NMRXKPKPEHTIGM-KRWDZBQOSA-N 1 1 366.513 3.227 20 30 FGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329748359 497888486 /nfs/dbraw/zinc/88/84/86/497888486.db2.gz SWDYRYPQJZGZBN-UYKLPWQDSA-N 1 1 369.513 3.053 20 30 FGEDMO C#CCOc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280792979 497901112 /nfs/dbraw/zinc/90/11/12/497901112.db2.gz REIDBVKNLKXMGA-LAUBAEHRSA-N 1 1 371.502 3.271 20 30 FGEDMO CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)CC2)cn1 ZINC000329804560 497908439 /nfs/dbraw/zinc/90/84/39/497908439.db2.gz MDFMZAINLGZTIZ-VQTJNVASSA-N 1 1 373.545 3.294 20 30 FGEDMO CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)CC2)cn1 ZINC000329804560 497908442 /nfs/dbraw/zinc/90/84/42/497908442.db2.gz MDFMZAINLGZTIZ-VQTJNVASSA-N 1 1 373.545 3.294 20 30 FGEDMO C=C(C)Cn1c(-c2scnc2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000575311384 505958533 /nfs/dbraw/zinc/95/85/33/505958533.db2.gz CURPXBCMBGUUEF-HOCLYGCPSA-N 1 1 374.558 3.453 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329861822 497930900 /nfs/dbraw/zinc/93/09/00/497930900.db2.gz YCAGJVHNQDRIQK-NEWSRXKRSA-N 1 1 355.482 3.211 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000329861822 497930906 /nfs/dbraw/zinc/93/09/06/497930906.db2.gz YCAGJVHNQDRIQK-NEWSRXKRSA-N 1 1 355.482 3.211 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)cc1C ZINC000364409739 497942063 /nfs/dbraw/zinc/94/20/63/497942063.db2.gz DRQXPQFHBCCCIW-UHFFFAOYSA-N 1 1 365.481 3.153 20 30 FGEDMO O=C(CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)NC1CCCC1 ZINC000329917103 497952405 /nfs/dbraw/zinc/95/24/05/497952405.db2.gz FCMGCFCMEMXHBU-KDURUIRLSA-N 1 1 369.509 3.256 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000329934884 497960059 /nfs/dbraw/zinc/96/00/59/497960059.db2.gz CEVXNKRLYPMODN-YOEHRIQHSA-N 1 1 360.845 3.069 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000329934884 497960069 /nfs/dbraw/zinc/96/00/69/497960069.db2.gz CEVXNKRLYPMODN-YOEHRIQHSA-N 1 1 360.845 3.069 20 30 FGEDMO CCC[C@]1(CO)CC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 ZINC000288977253 497966442 /nfs/dbraw/zinc/96/64/42/497966442.db2.gz ZDEBGQWPHHWKDX-NRFANRHFSA-N 1 1 357.498 3.035 20 30 FGEDMO CCC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000329988199 497981129 /nfs/dbraw/zinc/98/11/29/497981129.db2.gz UBHDWGVEXPWRSB-RBUKOAKNSA-N 1 1 372.513 3.253 20 30 FGEDMO CC(C)[C@H](CNC(=O)Nc1ccc2nn(C(C)C)cc2c1)[NH+]1CCOCC1 ZINC000330038089 497999374 /nfs/dbraw/zinc/99/93/74/497999374.db2.gz ZPMXOUDGRTWROP-IBGZPJMESA-N 1 1 373.501 3.300 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000572411765 505962954 /nfs/dbraw/zinc/96/29/54/505962954.db2.gz CEDGOVARHMMAPQ-ZDUSSCGKSA-N 1 1 370.428 3.097 20 30 FGEDMO C[C@H](Cn1cccn1)[NH+]=C([O-])N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000330053412 498005063 /nfs/dbraw/zinc/00/50/63/498005063.db2.gz QJPSDLFUVPNUBO-MSOLQXFVSA-N 1 1 361.534 3.162 20 30 FGEDMO C[C@H](Cn1cccn1)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000330053412 498005069 /nfs/dbraw/zinc/00/50/69/498005069.db2.gz QJPSDLFUVPNUBO-MSOLQXFVSA-N 1 1 361.534 3.162 20 30 FGEDMO C[C@H](Cn1cccn1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000330053412 498005075 /nfs/dbraw/zinc/00/50/75/498005075.db2.gz QJPSDLFUVPNUBO-MSOLQXFVSA-N 1 1 361.534 3.162 20 30 FGEDMO C[C@H](Cn1cccn1)[NH+]=C([O-])N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000330053413 498005738 /nfs/dbraw/zinc/00/57/38/498005738.db2.gz QJPSDLFUVPNUBO-QZTJIDSGSA-N 1 1 361.534 3.162 20 30 FGEDMO C[C@H](Cn1cccn1)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000330053413 498005744 /nfs/dbraw/zinc/00/57/44/498005744.db2.gz QJPSDLFUVPNUBO-QZTJIDSGSA-N 1 1 361.534 3.162 20 30 FGEDMO C[C@H](Cn1cccn1)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000330053413 498005751 /nfs/dbraw/zinc/00/57/51/498005751.db2.gz QJPSDLFUVPNUBO-QZTJIDSGSA-N 1 1 361.534 3.162 20 30 FGEDMO C=CCNC(=O)c1ccc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1 ZINC000301230113 498011006 /nfs/dbraw/zinc/01/10/06/498011006.db2.gz IJBNEBGGZIQCAP-UHFFFAOYSA-N 1 1 364.493 3.098 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000330128843 498031881 /nfs/dbraw/zinc/03/18/81/498031881.db2.gz DQDLDISFFBRMSW-HNBVOPMISA-N 1 1 359.514 3.388 20 30 FGEDMO C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330141303 498037464 /nfs/dbraw/zinc/03/74/64/498037464.db2.gz XPAMHBPXOIFVEQ-MBOZVWFJSA-N 1 1 350.503 3.492 20 30 FGEDMO C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000330141303 498037469 /nfs/dbraw/zinc/03/74/69/498037469.db2.gz XPAMHBPXOIFVEQ-MBOZVWFJSA-N 1 1 350.503 3.492 20 30 FGEDMO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000330196606 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372.509 3.007 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000437477629 500648744 /nfs/dbraw/zinc/64/87/44/500648744.db2.gz AMLUALWVUKUKAV-OVQGTLEDSA-N 1 1 372.509 3.007 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000433296650 500664568 /nfs/dbraw/zinc/66/45/68/500664568.db2.gz SVMNQRPJTNQWCF-NVXWUHKLSA-N 1 1 363.299 3.100 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H](C#N)CCc1ccccc1 ZINC000433371009 500682816 /nfs/dbraw/zinc/68/28/16/500682816.db2.gz KDLPCKBQEVUGQJ-COPCDDAFSA-N 1 1 361.489 3.396 20 30 FGEDMO CCC[C@@]1(COC)CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447880594 500684433 /nfs/dbraw/zinc/68/44/33/500684433.db2.gz VPXSFVGRSVBUNS-FPOVZHCZSA-N 1 1 355.482 3.335 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccc(F)cc3C2)c(OC)c1 ZINC000433460184 500698730 /nfs/dbraw/zinc/69/87/30/500698730.db2.gz OVECSYNUUIJNER-FQEVSTJZSA-N 1 1 371.452 3.361 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccc(F)cc3C2)c(OC)c1 ZINC000433460184 500698735 /nfs/dbraw/zinc/69/87/35/500698735.db2.gz OVECSYNUUIJNER-FQEVSTJZSA-N 1 1 371.452 3.361 20 30 FGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ncccc1OCCCC#N ZINC000448068227 500714703 /nfs/dbraw/zinc/71/47/03/500714703.db2.gz USGCGNBDKOZWRF-INIZCTEOSA-N 1 1 359.474 3.006 20 30 FGEDMO CC(C)[N@H+]1CCc2nc(CN3CCC[C@@]4(CCCCO4)[C@H]3C#N)sc2C1 ZINC000448279608 500742461 /nfs/dbraw/zinc/74/24/61/500742461.db2.gz AKGUPBIXIFNYDJ-QUCCMNQESA-N 1 1 374.554 3.337 20 30 FGEDMO CSCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000438643361 500810168 /nfs/dbraw/zinc/81/01/68/500810168.db2.gz UHAHBFUJTCKXJN-UHFFFAOYSA-N 1 1 374.485 3.338 20 30 FGEDMO CSCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000438643361 500810172 /nfs/dbraw/zinc/81/01/72/500810172.db2.gz UHAHBFUJTCKXJN-UHFFFAOYSA-N 1 1 374.485 3.338 20 30 FGEDMO Cc1ccc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)c(N2CCCC2)[nH+]1 ZINC000611580266 506222196 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C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC(C)(C)CCC#N)cc2)C[C@@H](C)O1 ZINC000588178570 506222327 /nfs/dbraw/zinc/22/23/27/506222327.db2.gz ZMRVLPSOBCNYQP-IAGOWNOFSA-N 1 1 357.498 3.356 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)ccc3ccccc32)CC1 ZINC000440404035 501005709 /nfs/dbraw/zinc/00/57/09/501005709.db2.gz UGQICPZVHZWISQ-UHFFFAOYSA-N 1 1 364.898 3.422 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000449550356 501030712 /nfs/dbraw/zinc/03/07/12/501030712.db2.gz CTGAQZIWIMSFIT-SBHAEUEKSA-N 1 1 364.493 3.447 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1OCCCC#N ZINC000449556328 501032716 /nfs/dbraw/zinc/03/27/16/501032716.db2.gz SCFJUDOGCIWGKI-QRVBRYPASA-N 1 1 358.482 3.361 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c(-c2ccccc2)n1 ZINC000449688418 501062942 /nfs/dbraw/zinc/06/29/42/501062942.db2.gz UZKQJGPKDRCKNB-NRFANRHFSA-N 1 1 350.466 3.466 20 30 FGEDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000441100610 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351.498 3.048 20 30 FGEDMO Cc1nc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)ccc1C#N ZINC000518584605 504021040 /nfs/dbraw/zinc/02/10/40/504021040.db2.gz IBYWOHHJSUUXGA-IBGZPJMESA-N 1 1 360.417 3.116 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccc(C#N)nc2)C1 ZINC000527982513 504026427 /nfs/dbraw/zinc/02/64/27/504026427.db2.gz SLSXYLLAKLQKBA-QGZVFWFLSA-N 1 1 362.477 3.044 20 30 FGEDMO N#Cc1cccc(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000530674809 504049103 /nfs/dbraw/zinc/04/91/03/504049103.db2.gz RJPXZYWOZUZUOY-FRIKZZABSA-N 1 1 359.473 3.413 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000518889950 504086839 /nfs/dbraw/zinc/08/68/39/504086839.db2.gz MDKCSMSXHQUIEX-USWSCHJFSA-N 1 1 354.498 3.279 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000519002421 504115853 /nfs/dbraw/zinc/11/58/53/504115853.db2.gz SFMHAJQYPWOVBA-CRAIPNDOSA-N 1 1 374.529 3.462 20 30 FGEDMO C=C(C)[C@H](CC(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)OCC ZINC000534410797 504134493 /nfs/dbraw/zinc/13/44/93/504134493.db2.gz NQMWCTFYWSGIOJ-HKBOAZHASA-N 1 1 374.525 3.154 20 30 FGEDMO C=C(C)[C@H](CC(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)OCC ZINC000534410797 504134498 /nfs/dbraw/zinc/13/44/98/504134498.db2.gz NQMWCTFYWSGIOJ-HKBOAZHASA-N 1 1 374.525 3.154 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000544555749 504172944 /nfs/dbraw/zinc/17/29/44/504172944.db2.gz KHXIIVFQFOMQAD-KRWDZBQOSA-N 1 1 364.449 3.207 20 30 FGEDMO COc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)c1 ZINC000528335700 504174681 /nfs/dbraw/zinc/17/46/81/504174681.db2.gz DAABOWHQMIRFHB-ICSRJNTNSA-N 1 1 352.434 3.144 20 30 FGEDMO C=CCOc1cccnc1C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000538270279 504182989 /nfs/dbraw/zinc/18/29/89/504182989.db2.gz PJMJTSVZQFWOCT-AEFFLSMTSA-N 1 1 351.450 3.039 20 30 FGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528370164 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QGRPLEPHXTVGTL-PMACEKPBSA-N 1 1 366.461 3.349 20 30 FGEDMO C=CCN(CCc1ccco1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000541845640 504273677 /nfs/dbraw/zinc/27/36/77/504273677.db2.gz AMHLUUKEJDGGJB-LJQANCHMSA-N 1 1 353.466 3.144 20 30 FGEDMO N#CCC1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000541920482 504301951 /nfs/dbraw/zinc/30/19/51/504301951.db2.gz GQDMWMKOMKYMOR-UHFFFAOYSA-N 1 1 351.244 3.346 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000541919853 504302296 /nfs/dbraw/zinc/30/22/96/504302296.db2.gz BBFFOBUBHBCMRQ-ROUUACIJSA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000541919853 504302298 /nfs/dbraw/zinc/30/22/98/504302298.db2.gz BBFFOBUBHBCMRQ-ROUUACIJSA-N 1 1 360.889 3.420 20 30 FGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCSC[C@@H]3CCO)c2)c1 ZINC000538813045 504380541 /nfs/dbraw/zinc/38/05/41/504380541.db2.gz YMYXIYVAECTKIH-FQEVSTJZSA-N 1 1 368.502 3.437 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000535277638 504390108 /nfs/dbraw/zinc/39/01/08/504390108.db2.gz OADYSMHQWCSFOK-TZIWHRDSSA-N 1 1 363.461 3.265 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000535277638 504390113 /nfs/dbraw/zinc/39/01/13/504390113.db2.gz OADYSMHQWCSFOK-TZIWHRDSSA-N 1 1 363.461 3.265 20 30 FGEDMO COc1cc(C[N@@H+](C)CC2(O)CCC2)ccc1OCc1cccc(C#N)c1 ZINC000545387680 504469302 /nfs/dbraw/zinc/46/93/02/504469302.db2.gz RHRDNLHACKUWRN-UHFFFAOYSA-N 1 1 366.461 3.493 20 30 FGEDMO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1OCC(=O)N(C)C ZINC000539253510 504513964 /nfs/dbraw/zinc/51/39/64/504513964.db2.gz MSSCASNEDQDCDQ-SFHVURJKSA-N 1 1 369.440 3.405 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000535738389 504526137 /nfs/dbraw/zinc/52/61/37/504526137.db2.gz HOJUNLJEPPTIGP-KRWDZBQOSA-N 1 1 367.449 3.192 20 30 FGEDMO C[C@@H]([NH2+]CCCN1CCN(Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000539498262 504590576 /nfs/dbraw/zinc/59/05/76/504590576.db2.gz AXZIMHZLXPUCRL-HXUWFJFHSA-N 1 1 362.521 3.417 20 30 FGEDMO COC(=O)c1cccc(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1C#N ZINC000535964901 504594646 /nfs/dbraw/zinc/59/46/46/504594646.db2.gz UIARIGNDNQFAJY-SOLBZPMBSA-N 1 1 355.482 3.182 20 30 FGEDMO C=CC[NH+](CC=C)[C@@H](CNc1nc(C(F)(F)F)nc2[nH]cnc21)C(C)C ZINC000536012749 504607590 /nfs/dbraw/zinc/60/75/90/504607590.db2.gz OSAWYIFWQWJNFK-LBPRGKRZSA-N 1 1 368.407 3.434 20 30 FGEDMO C=CC[C@@H](CC)NC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000539669186 504646142 /nfs/dbraw/zinc/64/61/42/504646142.db2.gz ACVLRGUGTWVWBZ-UXHICEINSA-N 1 1 358.530 3.019 20 30 FGEDMO C=CC[C@@H](CC)NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000539669186 504646145 /nfs/dbraw/zinc/64/61/45/504646145.db2.gz ACVLRGUGTWVWBZ-UXHICEINSA-N 1 1 358.530 3.019 20 30 FGEDMO C=CC[C@@H](CC)NC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000539669186 504646148 /nfs/dbraw/zinc/64/61/48/504646148.db2.gz ACVLRGUGTWVWBZ-UXHICEINSA-N 1 1 358.530 3.019 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)c2cccc(F)c2)c1 ZINC000542885146 504647410 /nfs/dbraw/zinc/64/74/10/504647410.db2.gz QYBDNDLKCOKFNV-FQEVSTJZSA-N 1 1 369.440 3.012 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000540021986 504761033 /nfs/dbraw/zinc/76/10/33/504761033.db2.gz WOTWLXQQADLCIA-CHWSQXEVSA-N 1 1 356.388 3.435 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000540021986 504761035 /nfs/dbraw/zinc/76/10/35/504761035.db2.gz WOTWLXQQADLCIA-CHWSQXEVSA-N 1 1 356.388 3.435 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000532817853 504763417 /nfs/dbraw/zinc/76/34/17/504763417.db2.gz KBOBRJRWYQDXFU-OAHLLOKOSA-N 1 1 365.481 3.442 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000532817853 504763421 /nfs/dbraw/zinc/76/34/21/504763421.db2.gz KBOBRJRWYQDXFU-OAHLLOKOSA-N 1 1 365.481 3.442 20 30 FGEDMO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000549263211 504776220 /nfs/dbraw/zinc/77/62/20/504776220.db2.gz UPPNIFUEDFSWQI-UHFFFAOYSA-N 1 1 353.426 3.029 20 30 FGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000565114088 504797805 /nfs/dbraw/zinc/79/78/05/504797805.db2.gz RJVAPUODLCASFP-SFHVURJKSA-N 1 1 369.534 3.473 20 30 FGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000565114088 504797806 /nfs/dbraw/zinc/79/78/06/504797806.db2.gz RJVAPUODLCASFP-SFHVURJKSA-N 1 1 369.534 3.473 20 30 FGEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCC1(C#N)CC1 ZINC000562390537 504804001 /nfs/dbraw/zinc/80/40/01/504804001.db2.gz URNZGXOBHYFCMF-SFHVURJKSA-N 1 1 354.498 3.062 20 30 FGEDMO N#CC1(C[NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000559270709 504815606 /nfs/dbraw/zinc/81/56/06/504815606.db2.gz AJWDCRBBKWYSSD-PXNSSMCTSA-N 1 1 352.409 3.470 20 30 FGEDMO Cn1c2ccccc2cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1=O ZINC000565175892 504817665 /nfs/dbraw/zinc/81/76/65/504817665.db2.gz XFGPLNNIIQNTHI-UHFFFAOYSA-N 1 1 361.445 3.059 20 30 FGEDMO N#Cc1cc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc(N)c1[N+](=O)[O-] ZINC000553107091 504829359 /nfs/dbraw/zinc/82/93/59/504829359.db2.gz IVVOWLVETOQXQT-KRWDZBQOSA-N 1 1 351.410 3.125 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000553155865 504840257 /nfs/dbraw/zinc/84/02/57/504840257.db2.gz GKCDDQGCBZMFQY-MRXNPFEDSA-N 1 1 365.437 3.007 20 30 FGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000549608400 504858828 /nfs/dbraw/zinc/85/88/28/504858828.db2.gz ZQMKVEGAZRHFSZ-FRRDWIJNSA-N 1 1 368.403 3.068 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000556433872 504873154 /nfs/dbraw/zinc/87/31/54/504873154.db2.gz LAWVHRUZWJKDBU-HNNXBMFYSA-N 1 1 364.449 3.235 20 30 FGEDMO C=CC[N@H+](CCCO[C@@H]1CCCCO1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000565431653 504885628 /nfs/dbraw/zinc/88/56/28/504885628.db2.gz AFKNXOXTKFEWBE-YLJYHZDGSA-N 1 1 371.485 3.145 20 30 FGEDMO 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WLWYPUBJPBQVFS-SFHVURJKSA-N 1 1 352.413 3.436 20 30 FGEDMO CCN(C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)[C@@H]1CC[N@@H+](C)C1 ZINC000596678219 506528022 /nfs/dbraw/zinc/52/80/22/506528022.db2.gz MQEXLVSMUAPVEP-QGZVFWFLSA-N 1 1 365.437 3.303 20 30 FGEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc(Oc3ccc(C#N)cc3)nc1)C2 ZINC000589381234 506534046 /nfs/dbraw/zinc/53/40/46/506534046.db2.gz LHSIWCOAXKAZIT-MRXNPFEDSA-N 1 1 373.416 3.452 20 30 FGEDMO CCOCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCc2ccccc21 ZINC000599625334 506536638 /nfs/dbraw/zinc/53/66/38/506536638.db2.gz IYDLYPQBYFROSF-TZIWHRDSSA-N 1 1 357.498 3.067 20 30 FGEDMO CC1CC(C#N)(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000612357596 506542455 /nfs/dbraw/zinc/54/24/55/506542455.db2.gz ANGZGHSBNLOKEZ-NWZXDIIKSA-N 1 1 351.494 3.343 20 30 FGEDMO Cc1nc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)ccc1C#N ZINC000603565461 506557784 /nfs/dbraw/zinc/55/77/84/506557784.db2.gz GQZQLEJILCTXTB-LJQANCHMSA-N 1 1 368.868 3.482 20 30 FGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599683581 506578186 /nfs/dbraw/zinc/57/81/86/506578186.db2.gz RQBGAMYXPQSJCX-CYBMUJFWSA-N 1 1 355.251 3.247 20 30 FGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599683581 506578190 /nfs/dbraw/zinc/57/81/90/506578190.db2.gz RQBGAMYXPQSJCX-CYBMUJFWSA-N 1 1 355.251 3.247 20 30 FGEDMO N#CCc1cccc2c1CC[N@H+](C[C@H](O)COc1cccc3[nH]ccc31)C2 ZINC000599677673 506574608 /nfs/dbraw/zinc/57/46/08/506574608.db2.gz BRYXBFGZCBTEHA-SFHVURJKSA-N 1 1 361.445 3.032 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000603629619 506581397 /nfs/dbraw/zinc/58/13/97/506581397.db2.gz KZIGREAZOUPMGL-XFQAVAEZSA-N 1 1 368.481 3.450 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593390562 506594080 /nfs/dbraw/zinc/59/40/80/506594080.db2.gz LKFROLRXRHHEEP-IIBYNOLFSA-N 1 1 360.461 3.104 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC1(C#N)CCOCC1 ZINC000596815823 506615208 /nfs/dbraw/zinc/61/52/08/506615208.db2.gz XCRNLGOIQFFRJR-GOSISDBHSA-N 1 1 369.509 3.388 20 30 FGEDMO CCN1C[C@H](C[N@@H+](C)CCOc2cccc(C#N)c2)Oc2ccccc21 ZINC000603845281 506631828 /nfs/dbraw/zinc/63/18/28/506631828.db2.gz DHBYEZSLIZNBRX-IBGZPJMESA-N 1 1 351.450 3.156 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nc4c(cc3C#N)CCC4)CC2)cc1 ZINC000603845504 506632196 /nfs/dbraw/zinc/63/21/96/506632196.db2.gz UTZKMJZYORNNCV-UHFFFAOYSA-N 1 1 357.461 3.026 20 30 FGEDMO CCC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000603925928 506660470 /nfs/dbraw/zinc/66/04/70/506660470.db2.gz VZLZOXXPGNWPSB-IBGZPJMESA-N 1 1 354.450 3.219 20 30 FGEDMO CCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000596892271 506660521 /nfs/dbraw/zinc/66/05/21/506660521.db2.gz CTNOMGBMTUJBMY-CYBMUJFWSA-N 1 1 356.348 3.015 20 30 FGEDMO C[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000593528957 506672481 /nfs/dbraw/zinc/67/24/81/506672481.db2.gz STZMAFFYQZCLKG-CVEARBPZSA-N 1 1 363.527 3.029 20 30 FGEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000583292495 506700545 /nfs/dbraw/zinc/70/05/45/506700545.db2.gz MJRAXPWCABRICV-QGZVFWFLSA-N 1 1 350.466 3.332 20 30 FGEDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000597001068 506725012 /nfs/dbraw/zinc/72/50/12/506725012.db2.gz PPNFYGKUDDDVJS-LVCYWYKZSA-N 1 1 353.510 3.315 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000608866629 506730991 /nfs/dbraw/zinc/73/09/91/506730991.db2.gz HWDILEAWBZLPIT-ZDUSSCGKSA-N 1 1 369.852 3.345 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000608866629 506730997 /nfs/dbraw/zinc/73/09/97/506730997.db2.gz HWDILEAWBZLPIT-ZDUSSCGKSA-N 1 1 369.852 3.345 20 30 FGEDMO N#Cc1ccccc1OCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604187267 506741901 /nfs/dbraw/zinc/74/19/01/506741901.db2.gz IDIUVMYIJBSFDU-UHFFFAOYSA-N 1 1 355.482 3.052 20 30 FGEDMO N#CC1(CC(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000590166173 506756574 /nfs/dbraw/zinc/75/65/74/506756574.db2.gz UEAPYYLCGZXYPL-UHFFFAOYSA-N 1 1 365.399 3.480 20 30 FGEDMO C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000609083015 506771991 /nfs/dbraw/zinc/77/19/91/506771991.db2.gz KZZVTGFSUUYCLL-QWHCGFSZSA-N 1 1 366.412 3.402 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609108656 506777607 /nfs/dbraw/zinc/77/76/07/506777607.db2.gz JKTYAJHLKCTNIV-RXVVDRJESA-N 1 1 368.525 3.298 20 30 FGEDMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C1CC1 ZINC000583447207 506783639 /nfs/dbraw/zinc/78/36/39/506783639.db2.gz QNRXEYJUEFMDJK-MRXNPFEDSA-N 1 1 364.497 3.320 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(c3nc4c(cc3C#N)CCC4)CC2)c1 ZINC000609143765 506791937 /nfs/dbraw/zinc/79/19/37/506791937.db2.gz KDFXAIWRZOTGDP-INIZCTEOSA-N 1 1 362.477 3.334 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609163971 506800592 /nfs/dbraw/zinc/80/05/92/506800592.db2.gz BLDAXRRZAAALHZ-CALCHBBNSA-N 1 1 352.482 3.263 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000597160876 506806033 /nfs/dbraw/zinc/80/60/33/506806033.db2.gz LYJFSWTWHXIYBJ-HXUWFJFHSA-N 1 1 365.452 3.268 20 30 FGEDMO COc1cc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)cc(Cl)c1OC ZINC000593944660 506840091 /nfs/dbraw/zinc/84/00/91/506840091.db2.gz ZNYSYFXYGMLVLS-LBPRGKRZSA-N 1 1 350.806 3.491 20 30 FGEDMO CCC(C)(C)c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000590571491 506865488 /nfs/dbraw/zinc/86/54/88/506865488.db2.gz CBIRHCRFAVGGIX-UHFFFAOYSA-N 1 1 353.470 3.341 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000594007462 506879175 /nfs/dbraw/zinc/87/91/75/506879175.db2.gz WYWLQYZNEISXFK-KGVIQGDOSA-N 1 1 361.489 3.374 20 30 FGEDMO C[C@H](CC#N)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000597319293 506895023 /nfs/dbraw/zinc/89/50/23/506895023.db2.gz GSEIAOHYILBREA-NVXWUHKLSA-N 1 1 367.415 3.449 20 30 FGEDMO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000609486788 506896108 /nfs/dbraw/zinc/89/61/08/506896108.db2.gz ROZWGZUVBMGLMN-KRWDZBQOSA-N 1 1 355.404 3.293 20 30 FGEDMO CC[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)[N@H+]1CCc2ccccc2C1 ZINC000583733277 506940772 /nfs/dbraw/zinc/94/07/72/506940772.db2.gz MOPAWNNHMUXREU-DENIHFKCSA-N 1 1 351.494 3.414 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)Nc1scc(C)c1C#N)[NH+](C)C ZINC000594110537 506945858 /nfs/dbraw/zinc/94/58/58/506945858.db2.gz XRKSAPKLAHBVPB-HNNXBMFYSA-N 1 1 358.467 3.361 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1Cl ZINC000613178798 506954870 /nfs/dbraw/zinc/95/48/70/506954870.db2.gz DKTTZPUQGJMPSA-INIZCTEOSA-N 1 1 368.868 3.500 20 30 FGEDMO N#Cc1ncc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000583796116 506978404 /nfs/dbraw/zinc/97/84/04/506978404.db2.gz LLXSNHLRVSYIOH-HNNXBMFYSA-N 1 1 369.856 3.250 20 30 FGEDMO CC(C)n1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000583854108 507011486 /nfs/dbraw/zinc/01/14/86/507011486.db2.gz DDCDMFBOCSHKNN-GOSISDBHSA-N 1 1 352.486 3.317 20 30 FGEDMO Cc1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cn2cc[nH+]c12 ZINC000583890843 507033738 /nfs/dbraw/zinc/03/37/38/507033738.db2.gz QAFGGTPMXXJGRT-OAHLLOKOSA-N 1 1 363.396 3.119 20 30 FGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C#N)CCOCC1 ZINC000597626115 507036914 /nfs/dbraw/zinc/03/69/14/507036914.db2.gz NMWMTVZYUPCTIF-IBGZPJMESA-N 1 1 369.509 3.114 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594248062 507041021 /nfs/dbraw/zinc/04/10/21/507041021.db2.gz JKSAGBGBKXVZEW-SLFFLAALSA-N 1 1 352.482 3.252 20 30 FGEDMO N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000594284474 507063133 /nfs/dbraw/zinc/06/31/33/507063133.db2.gz YWAXACSYEHUKRY-LEWJYISDSA-N 1 1 364.493 3.374 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594284054 507063205 /nfs/dbraw/zinc/06/32/05/507063205.db2.gz QDYLRJVMVKNYQP-IVAOSVALSA-N 1 1 366.509 3.485 20 30 FGEDMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590967074 507066325 /nfs/dbraw/zinc/06/63/25/507066325.db2.gz QLGRPGSUXUGNAQ-UHFFFAOYSA-N 1 1 354.498 3.487 20 30 FGEDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCCOc1cccc(C#N)c1)C2 ZINC000597717024 507073108 /nfs/dbraw/zinc/07/31/08/507073108.db2.gz WKOBQDHLGHBMJM-OAQYLSRUSA-N 1 1 355.482 3.052 20 30 FGEDMO C[C@@H]([NH2+]C(C)(C)CNC[C@@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000600722508 507081726 /nfs/dbraw/zinc/08/17/26/507081726.db2.gz QRTJMOPEEAABNB-YLJYHZDGSA-N 1 1 367.493 3.017 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000591062195 507095652 /nfs/dbraw/zinc/09/56/52/507095652.db2.gz XCZLBERNLTWTQG-GOSISDBHSA-N 1 1 355.482 3.454 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000600758068 507103578 /nfs/dbraw/zinc/10/35/78/507103578.db2.gz OEHSNWRRLVOHRV-UHFFFAOYSA-N 1 1 374.409 3.202 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@@H]1C ZINC000610125515 507106609 /nfs/dbraw/zinc/10/66/09/507106609.db2.gz AKTOPHSUGMJETH-SUMWQHHRSA-N 1 1 374.554 3.302 20 30 FGEDMO CC(C)[C@H](C#N)N1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000610133166 507111624 /nfs/dbraw/zinc/11/16/24/507111624.db2.gz IVTOBNGNCKBENA-KRWDZBQOSA-N 1 1 373.888 3.098 20 30 FGEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610133376 507111872 /nfs/dbraw/zinc/11/18/72/507111872.db2.gz LMFHFYCFZLCPHV-AHRSYUTCSA-N 1 1 358.482 3.471 20 30 FGEDMO COCCNc1ccc(-c2ccccc2CN2CC[NH+](C)CC2)cc1C#N ZINC000600791549 507123048 /nfs/dbraw/zinc/12/30/48/507123048.db2.gz RKRJJPJVPBCHBE-UHFFFAOYSA-N 1 1 364.493 3.031 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1C#N ZINC000594419844 507123671 /nfs/dbraw/zinc/12/36/71/507123671.db2.gz STUCEJYPUYPBLS-AEFFLSMTSA-N 1 1 370.522 3.299 20 30 FGEDMO CC(=O)N1CC[NH+](Cc2cccc(-c3ccc(OCCC#N)cc3)c2)CC1 ZINC000600794583 507125926 /nfs/dbraw/zinc/12/59/26/507125926.db2.gz QWBPPPSBHYZAIS-UHFFFAOYSA-N 1 1 363.461 3.310 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)CNc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000610200208 507135101 /nfs/dbraw/zinc/13/51/01/507135101.db2.gz PDJMBHWRCJZFAR-UZLBHIALSA-N 1 1 368.506 3.231 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)CNc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000610200207 507135345 /nfs/dbraw/zinc/13/53/45/507135345.db2.gz PDJMBHWRCJZFAR-JXFKEZNVSA-N 1 1 368.506 3.231 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000597856890 507135762 /nfs/dbraw/zinc/13/57/62/507135762.db2.gz CEYQWXWKURFGPP-INIZCTEOSA-N 1 1 367.449 3.333 20 30 FGEDMO N#CC[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000597904725 507164621 /nfs/dbraw/zinc/16/46/21/507164621.db2.gz STQZFYLNYOFBDN-MSOLQXFVSA-N 1 1 361.436 3.296 20 30 FGEDMO Cc1ccc([C@@H](CNc2cc(C#N)nc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000610273972 507171221 /nfs/dbraw/zinc/17/12/21/507171221.db2.gz NOWDVHOSZRLNLU-HSZRJFAPSA-N 1 1 372.472 3.322 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000597921922 507176185 /nfs/dbraw/zinc/17/61/85/507176185.db2.gz HXTQKPMBDFNNTN-INIZCTEOSA-N 1 1 367.449 3.333 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1C2CCCC1CCC2 ZINC000610370131 507216817 /nfs/dbraw/zinc/21/68/17/507216817.db2.gz QMJWRIUPJQBURB-UHFFFAOYSA-N 1 1 372.513 3.359 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1cccc(C#N)c1 ZINC000610458294 507248528 /nfs/dbraw/zinc/24/85/28/507248528.db2.gz QPTGCRDRCGJWER-GOSISDBHSA-N 1 1 362.477 3.364 20 30 FGEDMO Cc1cc(N2CCC(Nc3ncc(C#N)c4ccsc43)CC2)nc(C)[nH+]1 ZINC000601126634 507269192 /nfs/dbraw/zinc/26/91/92/507269192.db2.gz WRVLSMGDCRBSJO-UHFFFAOYSA-N 1 1 364.478 3.078 20 30 FGEDMO C[C@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)[NH+]1CC(C)C1 ZINC000584478093 507367836 /nfs/dbraw/zinc/36/78/36/507367836.db2.gz GXWWYJJPBJBFKJ-UTKZUKDTSA-N 1 1 363.461 3.287 20 30 FGEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC000614166946 507392087 /nfs/dbraw/zinc/39/20/87/507392087.db2.gz PDCXZQUXIXNTKL-IBGZPJMESA-N 1 1 351.450 3.362 20 30 FGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC000614166946 507392098 /nfs/dbraw/zinc/39/20/98/507392098.db2.gz PDCXZQUXIXNTKL-IBGZPJMESA-N 1 1 351.450 3.362 20 30 FGEDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173420 507394794 /nfs/dbraw/zinc/39/47/94/507394794.db2.gz QOHKEVCDEDSGPF-OAHLLOKOSA-N 1 1 371.506 3.328 20 30 FGEDMO C=CCn1c(-c2scnc2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000584529732 507397313 /nfs/dbraw/zinc/39/73/13/507397313.db2.gz WMFHDXQLKVGKQZ-OAHLLOKOSA-N 1 1 360.531 3.064 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000614222999 507412535 /nfs/dbraw/zinc/41/25/35/507412535.db2.gz ZNQFVDYLKREGEH-UHFFFAOYSA-N 1 1 369.509 3.443 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000614222999 507412543 /nfs/dbraw/zinc/41/25/43/507412543.db2.gz ZNQFVDYLKREGEH-UHFFFAOYSA-N 1 1 369.509 3.443 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(F)cc(C#N)c3)CC2)cs1 ZINC000601713544 507436142 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ZINC000830928496 600753893 /nfs/dbraw/zinc/75/38/93/600753893.db2.gz NQIKKOCWSUSXKD-BHIYHBOVSA-N 1 1 369.490 3.418 20 30 FGEDMO C[C@@H]1C[C@H]([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000828184313 601308100 /nfs/dbraw/zinc/30/81/00/601308100.db2.gz ORQCGNRSJUZAJG-MAODMQOUSA-N 1 1 363.461 3.327 20 30 FGEDMO C[C@@H]1C[C@H]([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000828184313 601308102 /nfs/dbraw/zinc/30/81/02/601308102.db2.gz ORQCGNRSJUZAJG-MAODMQOUSA-N 1 1 363.461 3.327 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000822801389 606452286 /nfs/dbraw/zinc/45/22/86/606452286.db2.gz IILORAJHIXUMNX-RBUKOAKNSA-N 1 1 362.412 3.278 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000822801389 606452287 /nfs/dbraw/zinc/45/22/87/606452287.db2.gz IILORAJHIXUMNX-RBUKOAKNSA-N 1 1 362.412 3.278 20 30 FGEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825435451 608356409 /nfs/dbraw/zinc/35/64/09/608356409.db2.gz YRDKCGUAMOXZBL-CQSZACIVSA-N 1 1 362.437 3.330 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)cc1 ZINC000121081381 700665422 /nfs/dbraw/zinc/66/54/22/700665422.db2.gz UXSFXLFTLJQHST-WMZOPIPTSA-N 1 1 365.949 3.352 20 30 FGEDMO C=CCc1cc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c(O)c(OC)c1 ZINC000134839931 704833036 /nfs/dbraw/zinc/83/30/36/704833036.db2.gz AMUGHTLFWZGZNP-ZDUSSCGKSA-N 1 1 358.404 3.198 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c(O)c(OC)c1 ZINC000134839931 704833041 /nfs/dbraw/zinc/83/30/41/704833041.db2.gz AMUGHTLFWZGZNP-ZDUSSCGKSA-N 1 1 358.404 3.198 20 30 FGEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000176827590 705592996 /nfs/dbraw/zinc/59/29/96/705592996.db2.gz URDWFVNZDQNFCD-ZWKOTPCHSA-N 1 1 353.495 3.443 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000191809897 712844186 /nfs/dbraw/zinc/84/41/86/712844186.db2.gz ZDFIMIZYLWAYDA-MRXNPFEDSA-N 1 1 358.239 3.369 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000191809897 712844190 /nfs/dbraw/zinc/84/41/90/712844190.db2.gz ZDFIMIZYLWAYDA-MRXNPFEDSA-N 1 1 358.239 3.369 20 30 FGEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245905910 713613501 /nfs/dbraw/zinc/61/35/01/713613501.db2.gz URDWFVNZDQNFCD-MSOLQXFVSA-N 1 1 353.495 3.443 20 30 FGEDMO CN1CC[C@@H](CNC(=[NH2+])NCC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261926019 713715777 /nfs/dbraw/zinc/71/57/77/713715777.db2.gz AZTUXOWQZZOLOR-YOEHRIQHSA-N 1 1 352.885 3.176 20 30 FGEDMO COc1ccc(NC(=[NH2+])NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000262551911 713727344 /nfs/dbraw/zinc/72/73/44/713727344.db2.gz YQXOICARYKUTMG-UHFFFAOYSA-N 1 1 362.543 3.174 20 30 FGEDMO COCCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303988907 713791008 /nfs/dbraw/zinc/79/10/08/713791008.db2.gz WYJXEYSWHRKFOI-GXTWGEPZSA-N 1 1 373.328 3.070 20 30 FGEDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OCC(F)F ZINC000328769458 713825697 /nfs/dbraw/zinc/82/56/97/713825697.db2.gz QQJWAPPVUWLOFH-HUUCEWRRSA-N 1 1 353.413 3.401 20 30 FGEDMO COc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000328783565 713825720 /nfs/dbraw/zinc/82/57/20/713825720.db2.gz GLWNRXREHCHGDW-CABCVRRESA-N 1 1 368.275 3.220 20 30 FGEDMO CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329331763 713829093 /nfs/dbraw/zinc/82/90/93/713829093.db2.gz ZQEIBPJKEZINDM-VXNCWWDNSA-N 1 1 351.535 3.204 20 30 FGEDMO CNC(=O)Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)cs1 ZINC000329836805 713833044 /nfs/dbraw/zinc/83/30/44/713833044.db2.gz VHDJNMKZNGYBMI-XBVQOTNRSA-N 1 1 365.543 3.424 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000426455025 714018774 /nfs/dbraw/zinc/01/87/74/714018774.db2.gz SDJJWAMCVHRJIJ-CVEARBPZSA-N 1 1 352.841 3.216 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000426455025 714018777 /nfs/dbraw/zinc/01/87/77/714018777.db2.gz SDJJWAMCVHRJIJ-CVEARBPZSA-N 1 1 352.841 3.216 20 30 FGEDMO N#Cc1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)ccn1 ZINC000619516721 714847494 /nfs/dbraw/zinc/84/74/94/714847494.db2.gz MESOUAAMDIGHLI-HNNXBMFYSA-N 1 1 355.747 3.449 20 30 FGEDMO C=CCOc1c(Cl)cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000623356355 715317423 /nfs/dbraw/zinc/31/74/23/715317423.db2.gz KWLANJPWVMSVHX-CQSZACIVSA-N 1 1 350.890 3.487 20 30 FGEDMO C=CCOc1c(Cl)cc(CNC[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000623356355 715317429 /nfs/dbraw/zinc/31/74/29/715317429.db2.gz KWLANJPWVMSVHX-CQSZACIVSA-N 1 1 350.890 3.487 20 30 FGEDMO C#CC[N@@H+](CCO[C@@H](C)C#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000801921545 724345831 /nfs/dbraw/zinc/34/58/31/724345831.db2.gz GDOLWVSZUPETSO-XJKSGUPXSA-N 1 1 363.255 3.137 20 30 FGEDMO C#CC[N@H+](CCO[C@@H](C)C#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000801921545 724345835 /nfs/dbraw/zinc/34/58/35/724345835.db2.gz GDOLWVSZUPETSO-XJKSGUPXSA-N 1 1 363.255 3.137 20 30 FGEDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1nc(Cl)c(C#N)s1 ZINC000804500608 724522802 /nfs/dbraw/zinc/52/28/02/724522802.db2.gz OBUUMZSOLWZAJK-CYBMUJFWSA-N 1 1 361.902 3.291 20 30 FGEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cnc(Cl)nc1Oc1cccc(C#N)c1 ZINC001164633976 719253897 /nfs/dbraw/zinc/25/38/97/719253897.db2.gz LVXXKSWUNAPQAA-STQMWFEESA-N 1 1 357.845 3.323 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cnc(Cl)nc1Oc1ccc(C#N)cc1 ZINC001164632657 719254073 /nfs/dbraw/zinc/25/40/73/719254073.db2.gz JNAPOSBYGKIMKF-QWHCGFSZSA-N 1 1 357.845 3.323 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000662084762 720373138 /nfs/dbraw/zinc/37/31/38/720373138.db2.gz WBWVTZGHMIKKJB-GASCZTMLSA-N 1 1 370.312 3.406 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCS(=O)(=O)c1cccc(Br)c1 ZINC000662084762 720373145 /nfs/dbraw/zinc/37/31/45/720373145.db2.gz WBWVTZGHMIKKJB-GASCZTMLSA-N 1 1 370.312 3.406 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(CC#N)cc1Cl)[C@H]2C ZINC001164862931 721013159 /nfs/dbraw/zinc/01/31/59/721013159.db2.gz RSSFDVADCMJJDV-AWEZNQCLSA-N 1 1 372.904 3.419 20 30 FGEDMO Cc1cc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164906402 721528043 /nfs/dbraw/zinc/52/80/43/721528043.db2.gz KYTKTBRCDZSIFK-ICSRJNTNSA-N 1 1 366.440 3.051 20 30 FGEDMO N#Cc1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC001164903956 721582682 /nfs/dbraw/zinc/58/26/82/721582682.db2.gz PLJJJYJZULUFSU-IBGZPJMESA-N 1 1 369.419 3.086 20 30 FGEDMO N#Cc1cccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164905600 721584547 /nfs/dbraw/zinc/58/45/47/721584547.db2.gz KAXWNPPIORQJIK-IBGZPJMESA-N 1 1 369.419 3.086 20 30 FGEDMO C=C(C)[C@H](CO)[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000678050307 721935426 /nfs/dbraw/zinc/93/54/26/721935426.db2.gz XLYZZEUZKZFKLZ-SFHVURJKSA-N 1 1 361.486 3.004 20 30 FGEDMO N#Cc1cc(Cl)cnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955678 722020355 /nfs/dbraw/zinc/02/03/55/722020355.db2.gz MVBBSGBNCYUMTE-UHFFFAOYSA-N 1 1 367.884 3.494 20 30 FGEDMO C=CCOc1ccccc1C[N@@H+](C)CCn1cc(Br)cn1 ZINC000685477661 722387113 /nfs/dbraw/zinc/38/71/13/722387113.db2.gz PWHPGKXKQKYHCA-UHFFFAOYSA-N 1 1 350.260 3.342 20 30 FGEDMO CCOCCC[N@H+]1CCC(=NNC(=S)Nc2ccccc2F)[C@H](C)C1 ZINC000735224413 722513499 /nfs/dbraw/zinc/51/34/99/722513499.db2.gz RANYQFQMTSVPPW-CQSZACIVSA-N 1 1 366.506 3.237 20 30 FGEDMO CC[N@@H+](CCc1cccs1)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744395669 722576572 /nfs/dbraw/zinc/57/65/72/722576572.db2.gz UPTAEZVXTYXJRO-UHFFFAOYSA-N 1 1 352.463 3.046 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000752344060 722854591 /nfs/dbraw/zinc/85/45/91/722854591.db2.gz AJPZFXNCMNDDON-WBVHZDCISA-N 1 1 350.384 3.119 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000752344060 722854594 /nfs/dbraw/zinc/85/45/94/722854594.db2.gz AJPZFXNCMNDDON-WBVHZDCISA-N 1 1 350.384 3.119 20 30 FGEDMO C#C[C@H](CC)Nc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000752924667 722878072 /nfs/dbraw/zinc/87/80/72/722878072.db2.gz HYDDJWUAIMUUDU-GFCCVEGCSA-N 1 1 360.483 3.062 20 30 FGEDMO COc1ccc(-c2nc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)cs2)cc1 ZINC000753937395 722919227 /nfs/dbraw/zinc/91/92/27/722919227.db2.gz DHDPCHTTWADPMS-HZPDHXFCSA-N 1 1 355.467 3.013 20 30 FGEDMO Brc1cccc2[nH]cc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)c21 ZINC000754711867 722944832 /nfs/dbraw/zinc/94/48/32/722944832.db2.gz YYZQWINMVJXORY-STQMWFEESA-N 1 1 360.259 3.124 20 30 FGEDMO C#CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000790611946 723158590 /nfs/dbraw/zinc/15/85/90/723158590.db2.gz ZGHWLBRAVKLJTM-AWEZNQCLSA-N 1 1 361.795 3.198 20 30 FGEDMO C#CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000790611946 723158593 /nfs/dbraw/zinc/15/85/93/723158593.db2.gz ZGHWLBRAVKLJTM-AWEZNQCLSA-N 1 1 361.795 3.198 20 30 FGEDMO CC(C)N1CC[NH+](CCCON=C(c2ccccc2)C(F)(F)F)CC1 ZINC000792132306 723314507 /nfs/dbraw/zinc/31/45/07/723314507.db2.gz AKFYJLXLKKMMTB-UHFFFAOYSA-N 1 1 357.420 3.386 20 30 FGEDMO Cn1c(CC#N)nn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1=S ZINC000795679236 723605612 /nfs/dbraw/zinc/60/56/12/723605612.db2.gz JBJSYQLWUBJYQI-ZACQAIPSSA-N 1 1 353.495 3.243 20 30 FGEDMO Cn1c(CC#N)nn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1=S ZINC000795679236 723605613 /nfs/dbraw/zinc/60/56/13/723605613.db2.gz JBJSYQLWUBJYQI-ZACQAIPSSA-N 1 1 353.495 3.243 20 30 FGEDMO C[C@H]1CC(=NNC(=S)Nc2ccccn2)C[N@@H+](Cc2ccccc2)C1 ZINC000767388694 723617205 /nfs/dbraw/zinc/61/72/05/723617205.db2.gz VKXPQAKETXAPCZ-HNNXBMFYSA-N 1 1 353.495 3.266 20 30 FGEDMO C[C@H]1CC(=NNC(=S)Nc2ccccn2)C[N@H+](Cc2ccccc2)C1 ZINC000767388694 723617207 /nfs/dbraw/zinc/61/72/07/723617207.db2.gz VKXPQAKETXAPCZ-HNNXBMFYSA-N 1 1 353.495 3.266 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+]([C@H]3CCc4cc(Cl)ccc43)CC2)c1C#N ZINC000796031415 723618207 /nfs/dbraw/zinc/61/82/07/723618207.db2.gz ACRPILLLFHDTIT-SFHVURJKSA-N 1 1 355.873 3.063 20 30 FGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCOc2ccc(F)cc2Cl)c1 ZINC000769910228 723700170 /nfs/dbraw/zinc/70/01/70/723700170.db2.gz VTGICMAOJPIABV-UHFFFAOYSA-N 1 1 360.816 3.410 20 30 FGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCOc2ccc(F)cc2Cl)c1 ZINC000769910228 723700171 /nfs/dbraw/zinc/70/01/71/723700171.db2.gz VTGICMAOJPIABV-UHFFFAOYSA-N 1 1 360.816 3.410 20 30 FGEDMO Cc1ccccc1[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000769913286 723700318 /nfs/dbraw/zinc/70/03/18/723700318.db2.gz NAPDDXSXPQZZKP-HXUWFJFHSA-N 1 1 355.869 3.376 20 30 FGEDMO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773604267 723805255 /nfs/dbraw/zinc/80/52/55/723805255.db2.gz YKPKXNPQHZVBHZ-JCURWCKSSA-N 1 1 351.853 3.324 20 30 FGEDMO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773604267 723805256 /nfs/dbraw/zinc/80/52/56/723805256.db2.gz YKPKXNPQHZVBHZ-JCURWCKSSA-N 1 1 351.853 3.324 20 30 FGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccccc1I)[C@H]1CCCO1 ZINC000775571935 724001671 /nfs/dbraw/zinc/00/16/71/724001671.db2.gz MZEQLWNBELXSBJ-TUKIKUTGSA-N 1 1 355.219 3.123 20 30 FGEDMO C#CC[N@@H+](C[C@H](C)Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775658594 724017866 /nfs/dbraw/zinc/01/78/66/724017866.db2.gz PTUCXFUQUPJEFV-YLJYHZDGSA-N 1 1 361.551 3.285 20 30 FGEDMO C#CC[N@H+](C[C@H](C)Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000775658594 724017871 /nfs/dbraw/zinc/01/78/71/724017871.db2.gz PTUCXFUQUPJEFV-YLJYHZDGSA-N 1 1 361.551 3.285 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1cccc(Br)c1OC(F)F)[C@@H]1CCCO1 ZINC000775789982 724061710 /nfs/dbraw/zinc/06/17/10/724061710.db2.gz OENNHTSQAHGYSG-OLZOCXBDSA-N 1 1 360.198 3.321 20 30 FGEDMO C#C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000775796115 724062361 /nfs/dbraw/zinc/06/23/61/724062361.db2.gz STTDTOHBUICNEW-OCCSQVGLSA-N 1 1 361.656 3.356 20 30 FGEDMO C#C[C@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000775799985 724063470 /nfs/dbraw/zinc/06/34/70/724063470.db2.gz PWPPLBHXQYSGEI-STQMWFEESA-N 1 1 361.656 3.356 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccnc1-n1ccnc1 ZINC000778156161 724304850 /nfs/dbraw/zinc/30/48/50/724304850.db2.gz OSMQSJHTAFBDCA-UHFFFAOYSA-N 1 1 352.825 3.223 20 30 FGEDMO CC1([C@H]2CCC[N@H+](Cc3ccc(Br)cc3C#N)C2)OCCO1 ZINC000805750204 725091023 /nfs/dbraw/zinc/09/10/23/725091023.db2.gz YDZAIJYTPXRURP-HNNXBMFYSA-N 1 1 365.271 3.296 20 30 FGEDMO CC1([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3C#N)C2)OCCO1 ZINC000805750204 725091026 /nfs/dbraw/zinc/09/10/26/725091026.db2.gz YDZAIJYTPXRURP-HNNXBMFYSA-N 1 1 365.271 3.296 20 30 FGEDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000805774192 725093728 /nfs/dbraw/zinc/09/37/28/725093728.db2.gz COBBOAJPLVHCKV-KRWDZBQOSA-N 1 1 351.491 3.078 20 30 FGEDMO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000809903013 725275152 /nfs/dbraw/zinc/27/51/52/725275152.db2.gz WNNKBQMFLZOGSJ-UONOGXRCSA-N 1 1 360.893 3.098 20 30 FGEDMO C[N@H+](Cc1nc(C#N)cs1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000811467708 725367685 /nfs/dbraw/zinc/36/76/85/725367685.db2.gz RWXIWORQQYTUCX-UHFFFAOYSA-N 1 1 350.488 3.282 20 30 FGEDMO 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C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001015816157 765803671 /nfs/dbraw/zinc/80/36/71/765803671.db2.gz HZMIRHSLCAROPO-LNLFQRSKSA-N 1 1 362.901 3.402 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001015816157 765803679 /nfs/dbraw/zinc/80/36/79/765803679.db2.gz HZMIRHSLCAROPO-LNLFQRSKSA-N 1 1 362.901 3.402 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1sccc1Cl ZINC001024661654 766061478 /nfs/dbraw/zinc/06/14/78/766061478.db2.gz KTECBBHFMFFWCZ-LZWOXQAQSA-N 1 1 368.930 3.463 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1sccc1Cl ZINC001024661654 766061483 /nfs/dbraw/zinc/06/14/83/766061483.db2.gz KTECBBHFMFFWCZ-LZWOXQAQSA-N 1 1 368.930 3.463 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccc(Cl)cc3)C[C@H]21 ZINC001026054283 766069659 /nfs/dbraw/zinc/06/96/59/766069659.db2.gz VXXCOGPSCXMIAI-IEQBIMPXSA-N 1 1 360.885 3.039 20 30 FGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC001027640552 766102279 /nfs/dbraw/zinc/10/22/79/766102279.db2.gz WZMHBYTZBXCOLO-SOUVJXGZSA-N 1 1 352.400 3.316 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC001028142365 766112342 /nfs/dbraw/zinc/11/23/42/766112342.db2.gz KENUPBLCLQLZAB-JZXOWHBKSA-N 1 1 366.864 3.151 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC001028142365 766112347 /nfs/dbraw/zinc/11/23/47/766112347.db2.gz KENUPBLCLQLZAB-JZXOWHBKSA-N 1 1 366.864 3.151 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)s1 ZINC001028554242 766125612 /nfs/dbraw/zinc/12/56/12/766125612.db2.gz ZPEQPMRDXCJPOR-OAFZBRQQSA-N 1 1 355.507 3.160 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001028809650 766133417 /nfs/dbraw/zinc/13/34/17/766133417.db2.gz MKXLMPYVAMSQHZ-IYOUNJFTSA-N 1 1 366.864 3.008 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001028809650 766133422 /nfs/dbraw/zinc/13/34/22/766133422.db2.gz MKXLMPYVAMSQHZ-IYOUNJFTSA-N 1 1 366.864 3.008 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC001029480667 766148280 /nfs/dbraw/zinc/14/82/80/766148280.db2.gz FDTGPEZBVXJYCB-NTDBWNAOSA-N 1 1 360.885 3.106 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC001029480667 766148283 /nfs/dbraw/zinc/14/82/83/766148283.db2.gz FDTGPEZBVXJYCB-NTDBWNAOSA-N 1 1 360.885 3.106 20 30 FGEDMO CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033292367 766213705 /nfs/dbraw/zinc/21/37/05/766213705.db2.gz SUIZHXDTASCXBV-STEAMIEHSA-N 1 1 357.523 3.479 20 30 FGEDMO CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033292367 766213710 /nfs/dbraw/zinc/21/37/10/766213710.db2.gz SUIZHXDTASCXBV-STEAMIEHSA-N 1 1 357.523 3.479 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001033496135 766221007 /nfs/dbraw/zinc/22/10/07/766221007.db2.gz GKKGYUIGAMXYNJ-QYZOEREBSA-N 1 1 362.539 3.461 20 30 FGEDMO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)CC2 ZINC001035216677 766257689 /nfs/dbraw/zinc/25/76/89/766257689.db2.gz CHQWWEZYYHNNCY-HUUCEWRRSA-N 1 1 362.926 3.453 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(C[NH+](C/C=C/Cl)C2)CC1 ZINC001035813789 766266976 /nfs/dbraw/zinc/26/69/76/766266976.db2.gz IMTQRXRUKQMMJP-ALOLOFKDSA-N 1 1 352.906 3.035 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCc1ccccc1Cl ZINC001038714950 766280916 /nfs/dbraw/zinc/28/09/16/766280916.db2.gz YRAAFWHNOFCODO-SCTDSRPQSA-N 1 1 362.901 3.054 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCc1ccccc1Cl ZINC001038714950 766280919 /nfs/dbraw/zinc/28/09/19/766280919.db2.gz YRAAFWHNOFCODO-SCTDSRPQSA-N 1 1 362.901 3.054 20 30 FGEDMO C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1 ZINC001039144889 766292735 /nfs/dbraw/zinc/29/27/35/766292735.db2.gz OZQVXTFILJDVEL-CADBVGFASA-N 1 1 366.933 3.115 20 30 FGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1 ZINC001039145454 766292742 /nfs/dbraw/zinc/29/27/42/766292742.db2.gz BHQVQUJDBUYVPN-KURKYZTESA-N 1 1 354.922 3.115 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001039941284 766299525 /nfs/dbraw/zinc/29/95/25/766299525.db2.gz JWHUUZMHNKXDOT-GFEQUFNTSA-N 1 1 352.494 3.171 20 30 FGEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2cc(CC)[nH+]c(C)n2)C1 ZINC001043345110 766435838 /nfs/dbraw/zinc/43/58/38/766435838.db2.gz GTAOLRLOEMKYLC-IAQYHMDHSA-N 1 1 350.894 3.385 20 30 FGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001049485036 766786789 /nfs/dbraw/zinc/78/67/89/766786789.db2.gz JZXYNKVQECZEHL-MHORFTMASA-N 1 1 354.922 3.255 20 30 FGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001049485036 766786792 /nfs/dbraw/zinc/78/67/92/766786792.db2.gz JZXYNKVQECZEHL-MHORFTMASA-N 1 1 354.922 3.255 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2sccc2Cl)CC1 ZINC001052723353 766915545 /nfs/dbraw/zinc/91/55/45/766915545.db2.gz RCKVWVBOXZKVNH-FMKPAKJESA-N 1 1 368.930 3.463 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC001052785399 766927204 /nfs/dbraw/zinc/92/72/04/766927204.db2.gz GMMTXPBGFIXOHJ-GXHJNHOSSA-N 1 1 361.313 3.257 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC001052785399 766927213 /nfs/dbraw/zinc/92/72/13/766927213.db2.gz GMMTXPBGFIXOHJ-GXHJNHOSSA-N 1 1 361.313 3.257 20 30 FGEDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000249033434 257371075 /nfs/dbraw/zinc/37/10/75/257371075.db2.gz LYWFSGMKXORSOC-BTTYYORXSA-N 1 1 361.511 3.061 20 30 FGEDMO C=CCN(CCc1ccccc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000097598846 222197570 /nfs/dbraw/zinc/19/75/70/222197570.db2.gz ZVAQHVIVHAFZMR-JOCHJYFZSA-N 1 1 364.489 3.145 20 30 FGEDMO C=CCN(CCc1ccccc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000097598846 222197573 /nfs/dbraw/zinc/19/75/73/222197573.db2.gz ZVAQHVIVHAFZMR-JOCHJYFZSA-N 1 1 364.489 3.145 20 30 FGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)[C@@]3(C#N)CC34CCCC4)CC2)oc1C ZINC000570771181 505576250 /nfs/dbraw/zinc/57/62/50/505576250.db2.gz OSJRJOUEHYIVAA-NRFANRHFSA-N 1 1 370.497 3.094 20 30 FGEDMO C[N@@H+](Cc1ccccc1NCC(=O)NC1(C#N)CCC1)C1CCCCC1 ZINC000570852190 505595534 /nfs/dbraw/zinc/59/55/34/505595534.db2.gz DULVUPWNKGNTEF-UHFFFAOYSA-N 1 1 354.498 3.425 20 30 FGEDMO CC(C)[N@H+](CCOc1ccccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000573746273 505609460 /nfs/dbraw/zinc/60/94/60/505609460.db2.gz MIBDJTMEKJYEDL-UHFFFAOYSA-N 1 1 362.433 3.496 20 30 FGEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000573746273 505609465 /nfs/dbraw/zinc/60/94/65/505609465.db2.gz MIBDJTMEKJYEDL-UHFFFAOYSA-N 1 1 362.433 3.496 20 30 FGEDMO CCN1CC[NH+](Cc2ccccc2CNc2snc(C)c2C#N)CC1 ZINC000571071751 505647173 /nfs/dbraw/zinc/64/71/73/505647173.db2.gz CBTHYLAGADNZEC-UHFFFAOYSA-N 1 1 355.511 3.073 20 30 FGEDMO C[N@H+](Cc1ccc(Br)cc1C#N)[C@H](CC(N)=O)c1ccccc1 ZINC000579992022 505657315 /nfs/dbraw/zinc/65/73/15/505657315.db2.gz PCARQTGCTUMIKZ-QGZVFWFLSA-N 1 1 372.266 3.369 20 30 FGEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)[C@H](CC(N)=O)c1ccccc1 ZINC000579992022 505657319 /nfs/dbraw/zinc/65/73/19/505657319.db2.gz PCARQTGCTUMIKZ-QGZVFWFLSA-N 1 1 372.266 3.369 20 30 FGEDMO CC(C)[N@H+](CCOc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000057596470 493776013 /nfs/dbraw/zinc/77/60/13/493776013.db2.gz ZBZZZTCDDCMWLA-UHFFFAOYSA-N 1 1 362.433 3.084 20 30 FGEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000057596470 493776019 /nfs/dbraw/zinc/77/60/19/493776019.db2.gz ZBZZZTCDDCMWLA-UHFFFAOYSA-N 1 1 362.433 3.084 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000075768521 493777308 /nfs/dbraw/zinc/77/73/08/493777308.db2.gz IUWSLJOSIDVCOU-HKUYNNGSSA-N 1 1 372.513 3.216 20 30 FGEDMO N#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080826049 493783831 /nfs/dbraw/zinc/78/38/31/493783831.db2.gz KOIIDEWLSVYOTO-MRXNPFEDSA-N 1 1 353.388 3.203 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 ZINC000028620712 493794758 /nfs/dbraw/zinc/79/47/58/493794758.db2.gz JSMFUJAYZZZNIE-UHFFFAOYSA-N 1 1 366.421 3.187 20 30 FGEDMO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000574045471 505681430 /nfs/dbraw/zinc/68/14/30/505681430.db2.gz RYYMCFPTXICPSD-VGSWGCGISA-N 1 1 363.461 3.106 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC(C)(C)O1 ZINC000068477621 493827089 /nfs/dbraw/zinc/82/70/89/493827089.db2.gz MGZIATDLSYGELN-CYBMUJFWSA-N 1 1 361.511 3.326 20 30 FGEDMO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cccc(Cl)c1 ZINC000029863323 493863384 /nfs/dbraw/zinc/86/33/84/493863384.db2.gz WBQSONPBJAHZQH-UHFFFAOYSA-N 1 1 370.840 3.111 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cccc(Cl)c1 ZINC000029863323 493863387 /nfs/dbraw/zinc/86/33/87/493863387.db2.gz WBQSONPBJAHZQH-UHFFFAOYSA-N 1 1 370.840 3.111 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1)C1CC1 ZINC000076343009 493871833 /nfs/dbraw/zinc/87/18/33/493871833.db2.gz MXWOADDYAIEVBW-QFIPXVFZSA-N 1 1 367.493 3.175 20 30 FGEDMO N#Cc1ccc(OCC[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000032511991 493995157 /nfs/dbraw/zinc/99/51/57/493995157.db2.gz MYWBRQSYBHCHPG-UHFFFAOYSA-N 1 1 355.869 3.408 20 30 FGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000083198291 494006739 /nfs/dbraw/zinc/00/67/39/494006739.db2.gz KJMPXSROOCHSGF-FQEVSTJZSA-N 1 1 364.449 3.052 20 30 FGEDMO CCCOc1cccc(CNC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000052580536 494042431 /nfs/dbraw/zinc/04/24/31/494042431.db2.gz LDWOHTRZPXPZLP-UHFFFAOYSA-N 1 1 351.450 3.095 20 30 FGEDMO CCCOc1cccc(CNC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000052580536 494042434 /nfs/dbraw/zinc/04/24/34/494042434.db2.gz LDWOHTRZPXPZLP-UHFFFAOYSA-N 1 1 351.450 3.095 20 30 FGEDMO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000052580868 494042982 /nfs/dbraw/zinc/04/29/82/494042982.db2.gz BQJVECKKVFMZOD-CQSZACIVSA-N 1 1 357.404 3.016 20 30 FGEDMO C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000052580868 494042990 /nfs/dbraw/zinc/04/29/90/494042990.db2.gz BQJVECKKVFMZOD-CQSZACIVSA-N 1 1 357.404 3.016 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)cs2)C[C@H](C)O1 ZINC000084083704 494046740 /nfs/dbraw/zinc/04/67/40/494046740.db2.gz KBXVDDSVTJHGFX-GJZGRUSLSA-N 1 1 369.490 3.159 20 30 FGEDMO COc1ccc2cc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C3CC3)ccc2c1 ZINC000007926770 494053376 /nfs/dbraw/zinc/05/33/76/494053376.db2.gz LDYQMUGVDCAWPP-NRFANRHFSA-N 1 1 351.450 3.089 20 30 FGEDMO COc1ccc2cc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C3CC3)ccc2c1 ZINC000007926770 494053378 /nfs/dbraw/zinc/05/33/78/494053378.db2.gz LDYQMUGVDCAWPP-NRFANRHFSA-N 1 1 351.450 3.089 20 30 FGEDMO Cc1ccccc1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000052747077 494058642 /nfs/dbraw/zinc/05/86/42/494058642.db2.gz NFHTYORATGCULQ-UHFFFAOYSA-N 1 1 351.425 3.400 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C#N)cc1 ZINC000052825584 494066150 /nfs/dbraw/zinc/06/61/50/494066150.db2.gz XGAGHAZWBNSDMV-UHFFFAOYSA-N 1 1 364.449 3.367 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C#N)cc1 ZINC000052825584 494066153 /nfs/dbraw/zinc/06/61/53/494066153.db2.gz XGAGHAZWBNSDMV-UHFFFAOYSA-N 1 1 364.449 3.367 20 30 FGEDMO COc1ccccc1CNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751151 494082945 /nfs/dbraw/zinc/08/29/45/494082945.db2.gz QITAVKDUHLOWGY-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000053164188 494100237 /nfs/dbraw/zinc/10/02/37/494100237.db2.gz PDGRTMDQSDISML-UHFFFAOYSA-N 1 1 352.413 3.252 20 30 FGEDMO COCC[N@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580196783 505701203 /nfs/dbraw/zinc/70/12/03/505701203.db2.gz BXMUYYPAWKVUPX-UHFFFAOYSA-N 1 1 373.384 3.133 20 30 FGEDMO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580196783 505701205 /nfs/dbraw/zinc/70/12/05/505701205.db2.gz BXMUYYPAWKVUPX-UHFFFAOYSA-N 1 1 373.384 3.133 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000011366121 494176537 /nfs/dbraw/zinc/17/65/37/494176537.db2.gz DTVGUSIHHJNJPQ-UHFFFAOYSA-N 1 1 353.422 3.036 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000011366121 494176539 /nfs/dbraw/zinc/17/65/39/494176539.db2.gz DTVGUSIHHJNJPQ-UHFFFAOYSA-N 1 1 353.422 3.036 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065957176 494260740 /nfs/dbraw/zinc/26/07/40/494260740.db2.gz FBUBPSHJLPDZKS-DYESRHJHSA-N 1 1 356.514 3.030 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000078255220 494263966 /nfs/dbraw/zinc/26/39/66/494263966.db2.gz VMHWPLDQDXQVKR-DYESRHJHSA-N 1 1 357.498 3.111 20 30 FGEDMO C#CCNC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1 ZINC000078338104 494281807 /nfs/dbraw/zinc/28/18/07/494281807.db2.gz TZZRWYGXEPSZTP-DNVCBOLYSA-N 1 1 368.506 3.001 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000072965524 494293265 /nfs/dbraw/zinc/29/32/65/494293265.db2.gz PCHHCWLOOYZZFX-UYAOXDASSA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000072965524 494293270 /nfs/dbraw/zinc/29/32/70/494293270.db2.gz PCHHCWLOOYZZFX-UYAOXDASSA-N 1 1 368.525 3.473 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](COCC)C1 ZINC000072976206 494296656 /nfs/dbraw/zinc/29/66/56/494296656.db2.gz KKWOSYGVQHNTOV-DLBZAZTESA-N 1 1 350.528 3.400 20 30 FGEDMO CC(C)[C@@H]1OCCC[C@H]1Nc1nc(NCc2ccc(C#N)s2)cc[nH+]1 ZINC000577361360 505712804 /nfs/dbraw/zinc/71/28/04/505712804.db2.gz SXRZXZCUQGLGMC-WBVHZDCISA-N 1 1 357.483 3.059 20 30 FGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1cccc(OCC#N)c1 ZINC000089738827 494351146 /nfs/dbraw/zinc/35/11/46/494351146.db2.gz VHRMCDFOUXEHQQ-UHFFFAOYSA-N 1 1 365.477 3.288 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+](CCc1ccccc1)Cc1ccc(C)s1 ZINC000015523006 494357675 /nfs/dbraw/zinc/35/76/75/494357675.db2.gz BVICBJYFBBPMRL-UHFFFAOYSA-N 1 1 371.506 3.113 20 30 FGEDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000073383054 494365646 /nfs/dbraw/zinc/36/56/46/494365646.db2.gz KXHAUGGJXWVOEL-UHFFFAOYSA-N 1 1 366.465 3.338 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015988704 494374019 /nfs/dbraw/zinc/37/40/19/494374019.db2.gz JRCYSVSBZLYKDP-LPHOPBHVSA-N 1 1 367.449 3.262 20 30 FGEDMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1F ZINC000073615869 494400030 /nfs/dbraw/zinc/40/00/30/494400030.db2.gz NNQIRVLKEUARHA-OAHLLOKOSA-N 1 1 369.440 3.185 20 30 FGEDMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1F ZINC000073615869 494400033 /nfs/dbraw/zinc/40/00/33/494400033.db2.gz NNQIRVLKEUARHA-OAHLLOKOSA-N 1 1 369.440 3.185 20 30 FGEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000074193622 494495061 /nfs/dbraw/zinc/49/50/61/494495061.db2.gz YYLITHNPMWICKC-IBGZPJMESA-N 1 1 369.396 3.149 20 30 FGEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)C1 ZINC000074193622 494495064 /nfs/dbraw/zinc/49/50/64/494495064.db2.gz YYLITHNPMWICKC-IBGZPJMESA-N 1 1 369.396 3.149 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000046129621 494497347 /nfs/dbraw/zinc/49/73/47/494497347.db2.gz YDTJGWRGKFHJSO-KSZLIROESA-N 1 1 356.514 3.466 20 30 FGEDMO C=CC[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1 ZINC000056495779 494515825 /nfs/dbraw/zinc/51/58/25/494515825.db2.gz NHVNBWZRGZHBTB-UHFFFAOYSA-N 1 1 368.433 3.441 20 30 FGEDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000091098327 494533834 /nfs/dbraw/zinc/53/38/34/494533834.db2.gz QZKVWTVCPRYKIT-INIZCTEOSA-N 1 1 372.456 3.247 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518845 494535089 /nfs/dbraw/zinc/53/50/89/494535089.db2.gz JISLSEUGGJHHCQ-INIZCTEOSA-N 1 1 364.424 3.465 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518845 494535095 /nfs/dbraw/zinc/53/50/95/494535095.db2.gz JISLSEUGGJHHCQ-INIZCTEOSA-N 1 1 364.424 3.465 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3ccsc3)CC2)cc1 ZINC000046781926 494565934 /nfs/dbraw/zinc/56/59/34/494565934.db2.gz WBBZWXBRHDMHTI-UHFFFAOYSA-N 1 1 368.506 3.080 20 30 FGEDMO C[C@H]1C[N@H+](C2CCN(c3ccc(C(F)(F)F)cc3C#N)CC2)CCO1 ZINC000091453592 494602595 /nfs/dbraw/zinc/60/25/95/494602595.db2.gz DQXZHDZMGDDASR-ZDUSSCGKSA-N 1 1 353.388 3.267 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000067679082 494607339 /nfs/dbraw/zinc/60/73/39/494607339.db2.gz WHYDGRVILUGDFM-MRXNPFEDSA-N 1 1 351.450 3.094 20 30 FGEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000047011229 494616732 /nfs/dbraw/zinc/61/67/32/494616732.db2.gz APADDADPDOQZBI-UHFFFAOYSA-N 1 1 373.460 3.152 20 30 FGEDMO CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074849769 494622364 /nfs/dbraw/zinc/62/23/64/494622364.db2.gz VXFGIWBOTYQFAM-NRFANRHFSA-N 1 1 362.477 3.364 20 30 FGEDMO CC[N@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000121207925 494644887 /nfs/dbraw/zinc/64/48/87/494644887.db2.gz XIMKJQITMVRXHG-LBPRGKRZSA-N 1 1 374.535 3.457 20 30 FGEDMO CC[N@@H+](CCc1nccs1)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000121207925 494644891 /nfs/dbraw/zinc/64/48/91/494644891.db2.gz XIMKJQITMVRXHG-LBPRGKRZSA-N 1 1 374.535 3.457 20 30 FGEDMO N#Cc1ccc(NC(=O)CCN2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000067962254 494711219 /nfs/dbraw/zinc/71/12/19/494711219.db2.gz AJLOYJINMXFPBU-UHFFFAOYSA-N 1 1 362.477 3.095 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC000067962254 494711225 /nfs/dbraw/zinc/71/12/25/494711225.db2.gz AJLOYJINMXFPBU-UHFFFAOYSA-N 1 1 362.477 3.095 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(Cc3ccccc3)CC2)cc1 ZINC000067962254 494711232 /nfs/dbraw/zinc/71/12/32/494711232.db2.gz AJLOYJINMXFPBU-UHFFFAOYSA-N 1 1 362.477 3.095 20 30 FGEDMO N#Cc1c(F)cccc1N1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000091918102 494720698 /nfs/dbraw/zinc/72/06/98/494720698.db2.gz VCQFKVZMSVNGLO-UHFFFAOYSA-N 1 1 367.453 3.471 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)n2c1 ZINC000091966654 494738172 /nfs/dbraw/zinc/73/81/72/494738172.db2.gz JBBBZFZRTSPKSB-QUCCMNQESA-N 1 1 364.424 3.433 20 30 FGEDMO C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000025420098 494738842 /nfs/dbraw/zinc/73/88/42/494738842.db2.gz KTFMDXXLYDEVOW-UHFFFAOYSA-N 1 1 352.400 3.438 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000025438797 494741150 /nfs/dbraw/zinc/74/11/50/494741150.db2.gz SSSTZQRJUWAHSJ-UHFFFAOYSA-N 1 1 353.441 3.414 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2ccncc2)c(OC)c1 ZINC000091990154 494747110 /nfs/dbraw/zinc/74/71/10/494747110.db2.gz GQIQPZPGTMLOGF-APWZRJJASA-N 1 1 356.466 3.251 20 30 FGEDMO C[S@@](=O)c1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000092034434 494761616 /nfs/dbraw/zinc/76/16/16/494761616.db2.gz GDPBXVDGPRFRFX-VWLOTQADSA-N 1 1 354.475 3.339 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)ccc1OC ZINC000092106122 494794844 /nfs/dbraw/zinc/79/48/44/494794844.db2.gz ODIRYKIJYHEIHH-MSOLQXFVSA-N 1 1 358.482 3.141 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000116498063 494801343 /nfs/dbraw/zinc/80/13/43/494801343.db2.gz BAJLVZITJAOTAF-LIRRHRJNSA-N 1 1 367.428 3.124 20 30 FGEDMO N#Cc1ccc2ncc(CN3CCC[N@@H+](CC4CCCCC4)CC3)n2c1 ZINC000092187309 494805963 /nfs/dbraw/zinc/80/59/63/494805963.db2.gz LRZJGJMYOJAPGR-UHFFFAOYSA-N 1 1 351.498 3.294 20 30 FGEDMO Cc1cccc(CN2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000026249402 494812590 /nfs/dbraw/zinc/81/25/90/494812590.db2.gz BGROLHRZIWDABA-UHFFFAOYSA-N 1 1 362.477 3.013 20 30 FGEDMO C[N@@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1Cc1ccccc1 ZINC000577517686 505743280 /nfs/dbraw/zinc/74/32/80/505743280.db2.gz XICTUNZYZSPFMU-OAQYLSRUSA-N 1 1 359.473 3.241 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1Cc1ccccc1 ZINC000577517686 505743282 /nfs/dbraw/zinc/74/32/82/505743282.db2.gz XICTUNZYZSPFMU-OAQYLSRUSA-N 1 1 359.473 3.241 20 30 FGEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000093201790 494842409 /nfs/dbraw/zinc/84/24/09/494842409.db2.gz XANPBVMUZKVMBT-GOSISDBHSA-N 1 1 353.470 3.379 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@]3(C#N)CCC[C@H](C)C3)CC2)cs1 ZINC000116811345 494855946 /nfs/dbraw/zinc/85/59/46/494855946.db2.gz AUWSXVISUHUPIZ-LIRRHRJNSA-N 1 1 360.527 3.252 20 30 FGEDMO COc1cc(C[N@@H+](CCO)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000116877446 494865309 /nfs/dbraw/zinc/86/53/09/494865309.db2.gz GPIVBTOXYSGGCN-UHFFFAOYSA-N 1 1 352.434 3.103 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1CCCc2cccnc21 ZINC000127022781 494881814 /nfs/dbraw/zinc/88/18/14/494881814.db2.gz BXJJQPNBSYWEPJ-WIYYLYMNSA-N 1 1 356.514 3.471 20 30 FGEDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093770041 494920298 /nfs/dbraw/zinc/92/02/98/494920298.db2.gz XXUOOACDKSYLLW-SFHVURJKSA-N 1 1 351.498 3.237 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c1C#N ZINC000132871729 494936045 /nfs/dbraw/zinc/93/60/45/494936045.db2.gz JNWZBFJUSMPAHK-KUHUBIRLSA-N 1 1 372.513 3.123 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c1C#N ZINC000132871729 494936047 /nfs/dbraw/zinc/93/60/47/494936047.db2.gz JNWZBFJUSMPAHK-KUHUBIRLSA-N 1 1 372.513 3.123 20 30 FGEDMO C=CC[C@H]1N(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCCC1(C)C ZINC000574356796 505754510 /nfs/dbraw/zinc/75/45/10/505754510.db2.gz OQJHMDBEKLQPLE-MRXNPFEDSA-N 1 1 355.486 3.241 20 30 FGEDMO N#Cc1ccc(NCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000110977386 495027060 /nfs/dbraw/zinc/02/70/60/495027060.db2.gz XPNOCOHYNYLSSC-FRIKZZABSA-N 1 1 374.488 3.282 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000111130408 495042597 /nfs/dbraw/zinc/04/25/97/495042597.db2.gz ZNSCKUQTCHJNAF-ACBHZAAOSA-N 1 1 355.482 3.239 20 30 FGEDMO C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000122927635 495053850 /nfs/dbraw/zinc/05/38/50/495053850.db2.gz RCDWLQMZXVNDHZ-GOSISDBHSA-N 1 1 372.476 3.412 20 30 FGEDMO C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000122927635 495053854 /nfs/dbraw/zinc/05/38/54/495053854.db2.gz RCDWLQMZXVNDHZ-GOSISDBHSA-N 1 1 372.476 3.412 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CCn1cccn1 ZINC000111282528 495058695 /nfs/dbraw/zinc/05/86/95/495058695.db2.gz WRZRMFMNSYSQHN-CQSZACIVSA-N 1 1 371.510 3.044 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CCn1cccn1 ZINC000111282528 495058701 /nfs/dbraw/zinc/05/87/01/495058701.db2.gz WRZRMFMNSYSQHN-CQSZACIVSA-N 1 1 371.510 3.044 20 30 FGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000111311417 495063236 /nfs/dbraw/zinc/06/32/36/495063236.db2.gz UQUBLYBELQVVRF-MAUKXSAKSA-N 1 1 357.479 3.072 20 30 FGEDMO C=CCc1cc(C[NH+]2CCN(c3nc(C)cs3)CC2)cc(OC)c1O ZINC000133839469 495068623 /nfs/dbraw/zinc/06/86/23/495068623.db2.gz ZRFYTVOLLLBHLC-UHFFFAOYSA-N 1 1 359.495 3.216 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)c1C#N ZINC000119054023 495081427 /nfs/dbraw/zinc/08/14/27/495081427.db2.gz AQRGDERSIJQXRH-GOSISDBHSA-N 1 1 372.513 3.266 20 30 FGEDMO C[NH+]1CCN(c2ccc(Nc3nccc(C#N)c3[N+](=O)[O-])cc2Cl)CC1 ZINC000133932431 495083135 /nfs/dbraw/zinc/08/31/35/495083135.db2.gz UWZLIHQZJGVAGW-UHFFFAOYSA-N 1 1 372.816 3.010 20 30 FGEDMO COc1c(C)cc(C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1C ZINC000101734075 495094256 /nfs/dbraw/zinc/09/42/56/495094256.db2.gz GYSCCLWMBKSMML-HXUWFJFHSA-N 1 1 368.477 3.250 20 30 FGEDMO O=C(Nc1cccc(C#Cc2ccccn2)c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000111769833 495109888 /nfs/dbraw/zinc/10/98/88/495109888.db2.gz ORALTZPUSIHPLY-OAQYLSRUSA-N 1 1 360.461 3.087 20 30 FGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000134250418 495126264 /nfs/dbraw/zinc/12/62/64/495126264.db2.gz VUSXRUSEDBRLPE-IFXJQAMLSA-N 1 1 360.417 3.432 20 30 FGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000134250418 495126268 /nfs/dbraw/zinc/12/62/68/495126268.db2.gz VUSXRUSEDBRLPE-IFXJQAMLSA-N 1 1 360.417 3.432 20 30 FGEDMO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000134266338 495128150 /nfs/dbraw/zinc/12/81/50/495128150.db2.gz GQPQEKRULBNZCW-FQEVSTJZSA-N 1 1 368.502 3.458 20 30 FGEDMO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000134266338 495128151 /nfs/dbraw/zinc/12/81/51/495128151.db2.gz GQPQEKRULBNZCW-FQEVSTJZSA-N 1 1 368.502 3.458 20 30 FGEDMO C[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)CC(C)(C)CN1CCOCC1 ZINC000123659847 495167938 /nfs/dbraw/zinc/16/79/38/495167938.db2.gz JTQFOMAEXYHEJB-UHFFFAOYSA-N 1 1 368.481 3.003 20 30 FGEDMO CN(Cc1ncc(-c2ccc(C#N)cc2)o1)CC(C)(C)C[NH+]1CCOCC1 ZINC000123659847 495167943 /nfs/dbraw/zinc/16/79/43/495167943.db2.gz JTQFOMAEXYHEJB-UHFFFAOYSA-N 1 1 368.481 3.003 20 30 FGEDMO C=CCC(CC=C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000128978256 495177161 /nfs/dbraw/zinc/17/71/61/495177161.db2.gz JLESXVLYQFTJCH-GOSISDBHSA-N 1 1 355.482 3.091 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1OC ZINC000103447325 495233396 /nfs/dbraw/zinc/23/33/96/495233396.db2.gz YLLDIOJWBZKSDV-UHFFFAOYSA-N 1 1 352.434 3.352 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1OC ZINC000103447325 495233398 /nfs/dbraw/zinc/23/33/98/495233398.db2.gz YLLDIOJWBZKSDV-UHFFFAOYSA-N 1 1 352.434 3.352 20 30 FGEDMO C=CCNc1ncc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000129509620 495255838 /nfs/dbraw/zinc/25/58/38/495255838.db2.gz GLVMSTTXQKBYMI-KRWDZBQOSA-N 1 1 370.522 3.478 20 30 FGEDMO COC[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000112989099 495263913 /nfs/dbraw/zinc/26/39/13/495263913.db2.gz INWMHETVMUQUKQ-CQSZACIVSA-N 1 1 361.511 3.186 20 30 FGEDMO COC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000112987226 495264356 /nfs/dbraw/zinc/26/43/56/495264356.db2.gz QNQSWXDIDBGXGZ-MOPGFXCFSA-N 1 1 357.498 3.297 20 30 FGEDMO N#Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1Br ZINC000571611545 505772176 /nfs/dbraw/zinc/77/21/76/505772176.db2.gz COKSXHHQCMOBGM-ZDUSSCGKSA-N 1 1 362.271 3.067 20 30 FGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)NCC3CCCCC3)CC2)c1 ZINC000104714936 495300242 /nfs/dbraw/zinc/30/02/42/495300242.db2.gz VKLBBCSQFHKXBQ-UHFFFAOYSA-N 1 1 355.482 3.098 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000105586198 495373639 /nfs/dbraw/zinc/37/36/39/495373639.db2.gz VFJIQHBOHOCALT-IBGZPJMESA-N 1 1 351.425 3.226 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000114468044 495379207 /nfs/dbraw/zinc/37/92/07/495379207.db2.gz QAZCLMJITZOXDK-GOSISDBHSA-N 1 1 369.490 3.320 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000125117816 495393190 /nfs/dbraw/zinc/39/31/90/495393190.db2.gz ITNCJOMNFCFWNW-QRWLVFNGSA-N 1 1 366.440 3.017 20 30 FGEDMO CCC(CC)C[N@@H+](CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000114725702 495416199 /nfs/dbraw/zinc/41/61/99/495416199.db2.gz KDFBWKREDWBRPL-UHFFFAOYSA-N 1 1 353.470 3.441 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)Nc1ccc(CC#N)cc1)[NH+](C)C ZINC000125317776 495425329 /nfs/dbraw/zinc/42/53/29/495425329.db2.gz UVQMDNLSVGCVQJ-SFHVURJKSA-N 1 1 352.438 3.186 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCC1CCOCC1 ZINC000120660616 495429804 /nfs/dbraw/zinc/42/98/04/495429804.db2.gz WYVDTECJKGWRAK-KRWDZBQOSA-N 1 1 373.497 3.079 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCOCC1CC1 ZINC000130779726 495444460 /nfs/dbraw/zinc/44/44/60/495444460.db2.gz SEIRBDCLMRTQFO-HNNXBMFYSA-N 1 1 361.511 3.378 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCOCC1CC1 ZINC000130779726 495444464 /nfs/dbraw/zinc/44/44/64/495444464.db2.gz SEIRBDCLMRTQFO-HNNXBMFYSA-N 1 1 361.511 3.378 20 30 FGEDMO COc1ccc(CN[C@H]2CC[N@H+](C3CCCC3)C2)cc1OCCCC#N ZINC000106474114 495458861 /nfs/dbraw/zinc/45/88/61/495458861.db2.gz YKNUFEMRSMNUJH-SFHVURJKSA-N 1 1 357.498 3.484 20 30 FGEDMO COc1ccc(C[NH2+][C@H]2CCN(C3CCCC3)C2)cc1OCCCC#N ZINC000106474114 495458864 /nfs/dbraw/zinc/45/88/64/495458864.db2.gz YKNUFEMRSMNUJH-SFHVURJKSA-N 1 1 357.498 3.484 20 30 FGEDMO C=CCC[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000130940784 495469046 /nfs/dbraw/zinc/46/90/46/495469046.db2.gz NZQTVWIYANTVJL-FQEVSTJZSA-N 1 1 359.514 3.182 20 30 FGEDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000106864904 495502615 /nfs/dbraw/zinc/50/26/15/495502615.db2.gz HYLFGMQEUSTJQY-CZUORRHYSA-N 1 1 361.511 3.062 20 30 FGEDMO COc1ccc(CCC[N@@H+](C)[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000125895144 495514934 /nfs/dbraw/zinc/51/49/34/495514934.db2.gz POSPYNVQZQLKLK-KRWDZBQOSA-N 1 1 357.498 3.291 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C(N)=O)cc1 ZINC000115597856 495520714 /nfs/dbraw/zinc/52/07/14/495520714.db2.gz BSQJJAPNYFWNDP-QFIPXVFZSA-N 1 1 371.440 3.453 20 30 FGEDMO Cc1ccccc1C[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173444329 495532964 /nfs/dbraw/zinc/53/29/64/495532964.db2.gz AYTPMHOUNKQFSS-UHFFFAOYSA-N 1 1 373.460 3.235 20 30 FGEDMO N#Cc1ccc(CC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000170636462 495540920 /nfs/dbraw/zinc/54/09/20/495540920.db2.gz IBVCXIWDTNPGTA-UHFFFAOYSA-N 1 1 361.489 3.268 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000179379644 495568013 /nfs/dbraw/zinc/56/80/13/495568013.db2.gz VLMMGNMCWIUZKO-GFCCVEGCSA-N 1 1 374.432 3.103 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000179425962 495587132 /nfs/dbraw/zinc/58/71/32/495587132.db2.gz DITFCNHVOMYCQK-QUCCMNQESA-N 1 1 353.853 3.316 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000179425962 495587135 /nfs/dbraw/zinc/58/71/35/495587135.db2.gz DITFCNHVOMYCQK-QUCCMNQESA-N 1 1 353.853 3.316 20 30 FGEDMO C[C@@H](CCNC(=O)Cc1ccc(OCC#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000173593744 495603510 /nfs/dbraw/zinc/60/35/10/495603510.db2.gz BFWZZGKOIAXHJM-SFHVURJKSA-N 1 1 365.477 3.158 20 30 FGEDMO CCN(C(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159117485 495662984 /nfs/dbraw/zinc/66/29/84/495662984.db2.gz KEMQRVSIHCERGS-OAQYLSRUSA-N 1 1 362.477 3.364 20 30 FGEDMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1C#N ZINC000185662593 495668745 /nfs/dbraw/zinc/66/87/45/495668745.db2.gz HGBLXMSGIUVXKE-XYJFISCASA-N 1 1 354.498 3.128 20 30 FGEDMO C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695286 495684028 /nfs/dbraw/zinc/68/40/28/495684028.db2.gz XKRIJECOPRWVME-YJBOKZPZSA-N 1 1 365.481 3.351 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698689 495686905 /nfs/dbraw/zinc/68/69/05/495686905.db2.gz SITCOVZQMMCRHO-BFYDXBDKSA-N 1 1 372.513 3.338 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182815128 495713637 /nfs/dbraw/zinc/71/36/37/495713637.db2.gz ZWMHGUWIMSVQSV-CABCVRRESA-N 1 1 370.419 3.128 20 30 FGEDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000179758134 495721813 /nfs/dbraw/zinc/72/18/13/495721813.db2.gz IUVQKQWBXHMYLV-UHFFFAOYSA-N 1 1 350.466 3.028 20 30 FGEDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571730801 505800826 /nfs/dbraw/zinc/80/08/26/505800826.db2.gz TVUKGIYIRLICAZ-IERDGZPVSA-N 1 1 354.425 3.239 20 30 FGEDMO CC(C)[N@@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCCC1 ZINC000182889373 495744467 /nfs/dbraw/zinc/74/44/67/495744467.db2.gz FPEVISXMJUAPIA-GOSISDBHSA-N 1 1 374.554 3.110 20 30 FGEDMO Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)c1 ZINC000151294099 495797665 /nfs/dbraw/zinc/79/76/65/495797665.db2.gz HQBCIAUIXIUMKG-IBGZPJMESA-N 1 1 363.465 3.267 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000574569271 505805125 /nfs/dbraw/zinc/80/51/25/505805125.db2.gz XHCREXXWLFKRKC-GOSISDBHSA-N 1 1 350.422 3.087 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000574569271 505805131 /nfs/dbraw/zinc/80/51/31/505805131.db2.gz XHCREXXWLFKRKC-GOSISDBHSA-N 1 1 350.422 3.087 20 30 FGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000180028695 495830585 /nfs/dbraw/zinc/83/05/85/495830585.db2.gz BSWOXYADRSPPDL-HNNXBMFYSA-N 1 1 367.453 3.198 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186073902 495846795 /nfs/dbraw/zinc/84/67/95/495846795.db2.gz LFBYXWLPEGDUCS-SFHVURJKSA-N 1 1 369.490 3.282 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186073902 495846800 /nfs/dbraw/zinc/84/68/00/495846800.db2.gz LFBYXWLPEGDUCS-SFHVURJKSA-N 1 1 369.490 3.282 20 30 FGEDMO C=CCCCN(C)C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151516432 495864361 /nfs/dbraw/zinc/86/43/61/495864361.db2.gz IRYYWQURKSRSJS-PMACEKPBSA-N 1 1 359.514 3.274 20 30 FGEDMO 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VHIJGPQEAIECJX-UHFFFAOYSA-N 1 1 350.434 3.054 20 30 FGEDMO O=C(NCc1nc2ccccc2n1C1CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329780270 497898529 /nfs/dbraw/zinc/89/85/29/497898529.db2.gz MNBOTZUJPSQKGJ-SJORKVTESA-N 1 1 353.470 3.002 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000329804673 497908695 /nfs/dbraw/zinc/90/86/95/497908695.db2.gz KIMFECXJYZQTJU-OXQOHEQNSA-N 1 1 367.497 3.024 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000329804673 497908702 /nfs/dbraw/zinc/90/87/02/497908702.db2.gz KIMFECXJYZQTJU-OXQOHEQNSA-N 1 1 367.497 3.024 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000329804673 497908710 /nfs/dbraw/zinc/90/87/10/497908710.db2.gz KIMFECXJYZQTJU-OXQOHEQNSA-N 1 1 367.497 3.024 20 30 FGEDMO Cc1ccc(-n2cc(NC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cn2)c(C)c1 ZINC000329847922 497924692 /nfs/dbraw/zinc/92/46/92/497924692.db2.gz RGQCMBAZFOIUHF-VQIMIIECSA-N 1 1 353.470 3.061 20 30 FGEDMO C[C@@H]1CN(Cc2csc(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)n2)C[C@H](C)O1 ZINC000329848566 497926509 /nfs/dbraw/zinc/92/65/09/497926509.db2.gz ROPWJKDOQIYYJZ-XQLPTFJDSA-N 1 1 366.531 3.071 20 30 FGEDMO Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000329851746 497927908 /nfs/dbraw/zinc/92/79/08/497927908.db2.gz UBGJLDPQXCXNSA-RAIGVLPGSA-N 1 1 370.419 3.348 20 30 FGEDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000329937646 497961385 /nfs/dbraw/zinc/96/13/85/497961385.db2.gz DQNKKHBGIUKWDQ-IAGOWNOFSA-N 1 1 365.543 3.052 20 30 FGEDMO N#CCC[C@H](C#N)CN[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000578499581 505955801 /nfs/dbraw/zinc/95/58/01/505955801.db2.gz RQTMCZKBYCDOKG-NVXWUHKLSA-N 1 1 350.388 3.313 20 30 FGEDMO N#CCC[C@H](C#N)CN[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000578499581 505955804 /nfs/dbraw/zinc/95/58/04/505955804.db2.gz RQTMCZKBYCDOKG-NVXWUHKLSA-N 1 1 350.388 3.313 20 30 FGEDMO N#Cc1ccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301170497 497982840 /nfs/dbraw/zinc/98/28/40/497982840.db2.gz DWULQUMCTKBYBG-GOSISDBHSA-N 1 1 350.422 3.443 20 30 FGEDMO C[C@H]1CN(CC(=O)Nc2ccccc2SCC#N)CC[N@H+](C2CCC2)C1 ZINC000292352659 497983216 /nfs/dbraw/zinc/98/32/16/497983216.db2.gz PWONLCFWLBZCSX-INIZCTEOSA-N 1 1 372.538 3.047 20 30 FGEDMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CC34CCCC4)c2)CC1 ZINC000330001517 497986110 /nfs/dbraw/zinc/98/61/10/497986110.db2.gz YBTGLSDNJBCJEU-SFHVURJKSA-N 1 1 355.482 3.171 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000330026512 497995435 /nfs/dbraw/zinc/99/54/35/497995435.db2.gz LNVNCIWINWJPMG-HNNXBMFYSA-N 1 1 369.400 3.190 20 30 FGEDMO Cc1cc([C@@H]2CCCN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)[nH]n1 ZINC000364519642 497998832 /nfs/dbraw/zinc/99/88/32/497998832.db2.gz CLVPXVAFUARANI-DZGCQCFKSA-N 1 1 355.442 3.006 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](n3cnc4ccccc43)C2)CCCCC1 ZINC000364528973 498003804 /nfs/dbraw/zinc/00/38/04/498003804.db2.gz KXZIVESOZPBSPK-QGZVFWFLSA-N 1 1 365.481 3.016 20 30 FGEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H](n3cnc4ccccc43)C2)CCCCC1 ZINC000364528973 498003808 /nfs/dbraw/zinc/00/38/08/498003808.db2.gz KXZIVESOZPBSPK-QGZVFWFLSA-N 1 1 365.481 3.016 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364548490 498018225 /nfs/dbraw/zinc/01/82/25/498018225.db2.gz ZHGRLXDPDDDNFX-QGZVFWFLSA-N 1 1 359.514 3.459 20 30 FGEDMO CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC[C@@H]1C[NH+]1CCCCC1)CC2 ZINC000330109213 498024763 /nfs/dbraw/zinc/02/47/63/498024763.db2.gz OWHXIYGUWWNVJT-RTBURBONSA-N 1 1 373.545 3.186 20 30 FGEDMO CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330169282 498047957 /nfs/dbraw/zinc/04/79/57/498047957.db2.gz DGJRUNKQZSLMTJ-UXLLHSPISA-N 1 1 367.559 3.298 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301323194 498056567 /nfs/dbraw/zinc/05/65/67/498056567.db2.gz VMFIKQCGIFRYEI-WMLDXEAASA-N 1 1 351.410 3.184 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000330218314 498066471 /nfs/dbraw/zinc/06/64/71/498066471.db2.gz JFJYYZDPMAOHKT-HNAYVOBHSA-N 1 1 356.445 3.249 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330242818 498075473 /nfs/dbraw/zinc/07/54/73/498075473.db2.gz JNUJFOBHHOSHDV-HKUYNNGSSA-N 1 1 355.482 3.070 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000330250216 498078611 /nfs/dbraw/zinc/07/86/11/498078611.db2.gz MWCSPBJYKNTIKR-SJCJKPOMSA-N 1 1 367.396 3.012 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000330261336 498083814 /nfs/dbraw/zinc/08/38/14/498083814.db2.gz UEXWNVFSZGADDT-ZBFHGGJFSA-N 1 1 362.470 3.429 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000330261336 498083818 /nfs/dbraw/zinc/08/38/18/498083818.db2.gz UEXWNVFSZGADDT-ZBFHGGJFSA-N 1 1 362.470 3.429 20 30 FGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)N3CC4(C3)CCCC4)CC2)oc1C ZINC000330276628 498090869 /nfs/dbraw/zinc/09/08/69/498090869.db2.gz NDWXPYPXVYWNRM-UHFFFAOYSA-N 1 1 360.502 3.293 20 30 FGEDMO N#CCCCOc1cccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000292666632 498102331 /nfs/dbraw/zinc/10/23/31/498102331.db2.gz QECDZZIMUAASGL-UHFFFAOYSA-N 1 1 354.410 3.205 20 30 FGEDMO O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330315189 498102580 /nfs/dbraw/zinc/10/25/80/498102580.db2.gz PMWUVUDIZSONIG-HNNXBMFYSA-N 1 1 372.860 3.408 20 30 FGEDMO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000330330665 498106379 /nfs/dbraw/zinc/10/63/79/498106379.db2.gz NLKLXSDODNDYAL-CHWSQXEVSA-N 1 1 358.408 3.295 20 30 FGEDMO C[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000330333001 498107707 /nfs/dbraw/zinc/10/77/07/498107707.db2.gz PKWUVNIZLBTWKS-UKBAYJJMSA-N 1 1 361.534 3.228 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000364769937 498135557 /nfs/dbraw/zinc/13/55/57/498135557.db2.gz MVYQPEDLXRIDIG-SFHVURJKSA-N 1 1 365.481 3.018 20 30 FGEDMO CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(C(F)(F)F)c1 ZINC000330721830 498181557 /nfs/dbraw/zinc/18/15/57/498181557.db2.gz XNXXSMIHEHKZIB-WDEREUQCSA-N 1 1 372.391 3.234 20 30 FGEDMO C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(C[S@](=O)C(C)(C)C)c2)CC[N@@H+]1C ZINC000330722969 498181672 /nfs/dbraw/zinc/18/16/72/498181672.db2.gz YHCFOKVNPLYEIH-XESHVACXSA-N 1 1 365.543 3.304 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1C ZINC000330847188 498204350 /nfs/dbraw/zinc/20/43/50/498204350.db2.gz KKBCTNHSSRLVBA-QUCCMNQESA-N 1 1 371.525 3.279 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1C ZINC000330847188 498204357 /nfs/dbraw/zinc/20/43/57/498204357.db2.gz KKBCTNHSSRLVBA-QUCCMNQESA-N 1 1 371.525 3.279 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289610654 498216099 /nfs/dbraw/zinc/21/60/99/498216099.db2.gz YHYXUZPRUJKNDD-LJQANCHMSA-N 1 1 360.461 3.024 20 30 FGEDMO COc1cc(C)c(Br)cc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000330912258 498216402 /nfs/dbraw/zinc/21/64/02/498216402.db2.gz HTRJDKLHCDZEEC-UHFFFAOYSA-N 1 1 368.275 3.354 20 30 FGEDMO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330915404 498217110 /nfs/dbraw/zinc/21/71/10/498217110.db2.gz UDVFIPQMNVFYJB-SDDRHHMPSA-N 1 1 372.296 3.285 20 30 FGEDMO CC1(C#N)CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000285862181 498223051 /nfs/dbraw/zinc/22/30/51/498223051.db2.gz RBHNRKAXMXRTBG-KRWDZBQOSA-N 1 1 361.436 3.296 20 30 FGEDMO CC(C)[C@@H](CNC(=O)c1ccc(Cl)c(N)c1Cl)[NH+]1CCOCC1 ZINC000330943600 498223484 /nfs/dbraw/zinc/22/34/84/498223484.db2.gz FSGZQNKQVZMRNY-CYBMUJFWSA-N 1 1 360.285 3.237 20 30 FGEDMO C[C@H]([NH2+]CC(=O)NCC1CCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364950701 498224409 /nfs/dbraw/zinc/22/44/09/498224409.db2.gz JTELSODELWZNHD-ZDUSSCGKSA-N 1 1 354.479 3.249 20 30 FGEDMO COc1cc(C[NH2+][C@H](CO)c2ccccc2OC(F)(F)F)ccc1C#N ZINC000281647267 498224601 /nfs/dbraw/zinc/22/46/01/498224601.db2.gz JOJORLOSRWECPX-OAHLLOKOSA-N 1 1 366.339 3.289 20 30 FGEDMO N#Cc1ccc(CC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285889146 498232170 /nfs/dbraw/zinc/23/21/70/498232170.db2.gz RGVWQXYZVHKBMG-QHCPKHFHSA-N 1 1 359.473 3.225 20 30 FGEDMO CCOc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)cc1Cl ZINC000331106853 498253779 /nfs/dbraw/zinc/25/37/79/498253779.db2.gz ACAKFYSLCJICMQ-HIFRSBDPSA-N 1 1 369.893 3.061 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000365011051 498253787 /nfs/dbraw/zinc/25/37/87/498253787.db2.gz KFHZQQXYZALNJX-MRXNPFEDSA-N 1 1 361.873 3.289 20 30 FGEDMO CCNC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000331140797 498260572 /nfs/dbraw/zinc/26/05/72/498260572.db2.gz FHKDHAQQOWJCPI-KRWDZBQOSA-N 1 1 361.490 3.158 20 30 FGEDMO Cc1ccccc1C(=O)N[C@H](C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)C(C)C ZINC000331153718 498263769 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C=CCC1(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000425575261 500150506 /nfs/dbraw/zinc/15/05/06/500150506.db2.gz UYPLFLATBMWGKK-RBUKOAKNSA-N 1 1 356.510 3.481 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)s1 ZINC000421926025 500177873 /nfs/dbraw/zinc/17/78/73/500177873.db2.gz WOQKCOAQUBJUFH-OAHLLOKOSA-N 1 1 357.454 3.287 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000425853767 500205487 /nfs/dbraw/zinc/20/54/87/500205487.db2.gz JHBKOOODBXCDHD-WJMWBRGCSA-N 1 1 371.525 3.272 20 30 FGEDMO C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000582324400 506187302 /nfs/dbraw/zinc/18/73/02/506187302.db2.gz RCYVXKRKKZZYRI-QGZVFWFLSA-N 1 1 357.498 3.186 20 30 FGEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000426773884 500318356 /nfs/dbraw/zinc/31/83/56/500318356.db2.gz LRZYJRRUDFBCNG-CYBMUJFWSA-N 1 1 362.543 3.207 20 30 FGEDMO CC[N@@H+](CCNC(=O)CSc1ccc(C#N)cc1)CCC(F)(F)F ZINC000427210952 500368274 /nfs/dbraw/zinc/36/82/74/500368274.db2.gz JNIUUKIUKZAKPC-UHFFFAOYSA-N 1 1 359.417 3.041 20 30 FGEDMO C[C@@H]1C[C@@H](CCNC(=O)NCC2(C#N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000419478207 500369812 /nfs/dbraw/zinc/36/98/12/500369812.db2.gz QZSPHJJVLPBSCA-IEBWSBKVSA-N 1 1 354.498 3.280 20 30 FGEDMO C=CCC[C@H]1NC(=O)N(Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1=O ZINC000419925347 500407441 /nfs/dbraw/zinc/40/74/41/500407441.db2.gz OPFVZPYOBSRHSL-VQIMIIECSA-N 1 1 355.482 3.305 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340599 500444890 /nfs/dbraw/zinc/44/48/90/500444890.db2.gz MUVFPLYHFGXFJP-IRXDYDNUSA-N 1 1 359.539 3.225 20 30 FGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000428228180 500484199 /nfs/dbraw/zinc/48/41/99/500484199.db2.gz LRXQUKILVJPHOA-MRXNPFEDSA-N 1 1 351.425 3.339 20 30 FGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000428228180 500484201 /nfs/dbraw/zinc/48/42/01/500484201.db2.gz LRXQUKILVJPHOA-MRXNPFEDSA-N 1 1 351.425 3.339 20 30 FGEDMO C[C@H]1[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000582380062 506199209 /nfs/dbraw/zinc/19/92/09/506199209.db2.gz MUQZLZWMMBZXPO-LAUBAEHRSA-N 1 1 359.473 3.369 20 30 FGEDMO C=CCC(C)(C)CNC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000432353353 500503667 /nfs/dbraw/zinc/50/36/67/500503667.db2.gz KMPBFQFJOKEBDS-OALUTQOASA-N 1 1 359.514 3.350 20 30 FGEDMO C=CCC(C)(C)CNC(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000432353353 500503670 /nfs/dbraw/zinc/50/36/70/500503670.db2.gz KMPBFQFJOKEBDS-OALUTQOASA-N 1 1 359.514 3.350 20 30 FGEDMO C=CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000432362325 500504716 /nfs/dbraw/zinc/50/47/16/500504716.db2.gz KLEIXUORYATKKV-MRXNPFEDSA-N 1 1 352.906 3.495 20 30 FGEDMO C=CCOc1ccc(CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000432362325 500504718 /nfs/dbraw/zinc/50/47/18/500504718.db2.gz KLEIXUORYATKKV-MRXNPFEDSA-N 1 1 352.906 3.495 20 30 FGEDMO C=CCOc1ccc(CNCCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000432362325 500504719 /nfs/dbraw/zinc/50/47/19/500504719.db2.gz KLEIXUORYATKKV-MRXNPFEDSA-N 1 1 352.906 3.495 20 30 FGEDMO C=CCOc1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)cc1Cl ZINC000432362325 500504721 /nfs/dbraw/zinc/50/47/21/500504721.db2.gz KLEIXUORYATKKV-MRXNPFEDSA-N 1 1 352.906 3.495 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576617616 506199755 /nfs/dbraw/zinc/19/97/55/506199755.db2.gz FUKLILLBAPNNIS-OAHLLOKOSA-N 1 1 355.413 3.173 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576617616 506199759 /nfs/dbraw/zinc/19/97/59/506199759.db2.gz FUKLILLBAPNNIS-OAHLLOKOSA-N 1 1 355.413 3.173 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000432390675 500509321 /nfs/dbraw/zinc/50/93/21/500509321.db2.gz ZYVZWFBLRORTIG-UZLBHIALSA-N 1 1 362.477 3.190 20 30 FGEDMO C=CCOc1ccccc1CN(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428435066 500510266 /nfs/dbraw/zinc/51/02/66/500510266.db2.gz YKIUUNCXKPYSCY-HSZRJFAPSA-N 1 1 366.505 3.320 20 30 FGEDMO C=CCCn1cc(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nn1 ZINC000424596347 500524418 /nfs/dbraw/zinc/52/44/18/500524418.db2.gz SIAHGRDQKWWNCF-KRWDZBQOSA-N 1 1 367.497 3.159 20 30 FGEDMO N#CC[C@@H](CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1ccccc1 ZINC000428548218 500525267 /nfs/dbraw/zinc/52/52/67/500525267.db2.gz OLIDFTVCQUMSSL-FPOVZHCZSA-N 1 1 363.461 3.279 20 30 FGEDMO C[C@H]1C[C@H](N(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[N@H+]1C ZINC000428641901 500536530 /nfs/dbraw/zinc/53/65/30/500536530.db2.gz FRSRIZUCPMAKDG-FUHWJXTLSA-N 1 1 365.481 3.018 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421029938 500559872 /nfs/dbraw/zinc/55/98/72/500559872.db2.gz BJQMFLUKSFHGEB-IBGZPJMESA-N 1 1 357.498 3.035 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[NH+]3CCC(CO)(c4ccccc4)CC3)o2)c1 ZINC000433073269 500620630 /nfs/dbraw/zinc/62/06/30/500620630.db2.gz RQLDAHQSSFUYNI-UHFFFAOYSA-N 1 1 374.444 3.134 20 30 FGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000437345777 500634382 /nfs/dbraw/zinc/63/43/82/500634382.db2.gz JOEPMGIECWYUQK-GGAORHGYSA-N 1 1 364.489 3.337 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[N@H+]1C ZINC000437518120 500653861 /nfs/dbraw/zinc/65/38/61/500653861.db2.gz LGDFRAUUPURWIN-BBRMVZONSA-N 1 1 369.494 3.210 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000447850393 500677441 /nfs/dbraw/zinc/67/74/41/500677441.db2.gz VCRJNTCYGVGBTB-RBUKOAKNSA-N 1 1 357.498 3.176 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000447926545 500691295 /nfs/dbraw/zinc/69/12/95/500691295.db2.gz MPFDHHIIFBHRJP-JTSKRJEESA-N 1 1 366.461 3.109 20 30 FGEDMO N#Cc1ccccc1CSCCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433559796 500712554 /nfs/dbraw/zinc/71/25/54/500712554.db2.gz IRFCPJHNCHTTIV-IBGZPJMESA-N 1 1 372.538 3.108 20 30 FGEDMO COCCCOC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437906997 500715300 /nfs/dbraw/zinc/71/53/00/500715300.db2.gz FXICUQKZMSXKIW-UHFFFAOYSA-N 1 1 354.397 3.177 20 30 FGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443642917 500749181 /nfs/dbraw/zinc/74/91/81/500749181.db2.gz UBEIKUXTQVOLCK-HNNXBMFYSA-N 1 1 357.429 3.347 20 30 FGEDMO COCCO[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000438556051 500801254 /nfs/dbraw/zinc/80/12/54/500801254.db2.gz UWCYIURKXBAJLG-QFIPXVFZSA-N 1 1 366.461 3.375 20 30 FGEDMO O=C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444190188 500815414 /nfs/dbraw/zinc/81/54/14/500815414.db2.gz XZPNMVSFOAEAJT-FUHWJXTLSA-N 1 1 364.411 3.438 20 30 FGEDMO Cc1cc(OCC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)ccc1C#N ZINC000434643392 500871678 /nfs/dbraw/zinc/87/16/78/500871678.db2.gz BQFRLCZGJPLKHJ-GOSISDBHSA-N 1 1 363.461 3.151 20 30 FGEDMO CC(C)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000444774769 500897844 /nfs/dbraw/zinc/89/78/44/500897844.db2.gz XZKQIPOYYSSKKT-MRXNPFEDSA-N 1 1 351.454 3.050 20 30 FGEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000444774769 500897848 /nfs/dbraw/zinc/89/78/48/500897848.db2.gz XZKQIPOYYSSKKT-MRXNPFEDSA-N 1 1 351.454 3.050 20 30 FGEDMO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000444784436 500899987 /nfs/dbraw/zinc/89/99/87/500899987.db2.gz VQKYYSAAGOMGKZ-WBVHZDCISA-N 1 1 353.388 3.387 20 30 FGEDMO C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1cc(C#N)ccc1F ZINC000434991966 500920758 /nfs/dbraw/zinc/92/07/58/500920758.db2.gz ROOPILYJTXZLJT-UHFFFAOYSA-N 1 1 364.380 3.448 20 30 FGEDMO C[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1cc(C#N)ccc1F ZINC000434991966 500920762 /nfs/dbraw/zinc/92/07/62/500920762.db2.gz ROOPILYJTXZLJT-UHFFFAOYSA-N 1 1 364.380 3.448 20 30 FGEDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439648243 500922588 /nfs/dbraw/zinc/92/25/88/500922588.db2.gz OQVDZGHONDWYQR-DYVFJYSZSA-N 1 1 353.397 3.162 20 30 FGEDMO C[C@@H]1[C@H](C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC[N@H+]1C ZINC000592751262 506229847 /nfs/dbraw/zinc/22/98/47/506229847.db2.gz LPZMRYMSWQRSGQ-AUUYWEPGSA-N 1 1 362.433 3.089 20 30 FGEDMO N#CC1CCC(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000440989256 501071612 /nfs/dbraw/zinc/07/16/12/501071612.db2.gz NHEXOPRCPZFVGP-QLOJAFMTSA-N 1 1 354.498 3.280 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441275229 501112254 /nfs/dbraw/zinc/11/22/54/501112254.db2.gz IGYUBJXSHPXRKH-RCCFBDPRSA-N 1 1 362.539 3.400 20 30 FGEDMO Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc(C#N)c1[N+](=O)[O-] ZINC000596061895 506234738 /nfs/dbraw/zinc/23/47/38/506234738.db2.gz MXAJJBLDPOVJAN-UHFFFAOYSA-N 1 1 366.421 3.219 20 30 FGEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000441322731 501120192 /nfs/dbraw/zinc/12/01/92/501120192.db2.gz HLGVZNDFNZJJKZ-YWZLYKJASA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000441322731 501120193 /nfs/dbraw/zinc/12/01/93/501120193.db2.gz HLGVZNDFNZJJKZ-YWZLYKJASA-N 1 1 351.425 3.397 20 30 FGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H](C)C1 ZINC000441373411 501129330 /nfs/dbraw/zinc/12/93/30/501129330.db2.gz AYCAETYCYUHBNJ-ARFHVFGLSA-N 1 1 361.511 3.376 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H](C)C1 ZINC000441373411 501129335 /nfs/dbraw/zinc/12/93/35/501129335.db2.gz AYCAETYCYUHBNJ-ARFHVFGLSA-N 1 1 361.511 3.376 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)C1CC1 ZINC000450765338 501204577 /nfs/dbraw/zinc/20/45/77/501204577.db2.gz RRWAWOZVHXDKLQ-DENIHFKCSA-N 1 1 351.494 3.487 20 30 FGEDMO C[C@H]1C[NH+](C(C)(C)CNc2ncc(Br)cc2C#N)C[C@H](C)O1 ZINC000450229250 501214349 /nfs/dbraw/zinc/21/43/49/501214349.db2.gz CQQJAAHMQOVSRY-RYUDHWBXSA-N 1 1 367.291 3.015 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCCCNc2ncc(Br)cc2C#N)C1 ZINC000450253408 501220015 /nfs/dbraw/zinc/22/00/15/501220015.db2.gz DJRWHLUZLCFPJH-CYBMUJFWSA-N 1 1 351.292 3.062 20 30 FGEDMO C=CCOc1ccc(CC(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000450287245 501225991 /nfs/dbraw/zinc/22/59/91/501225991.db2.gz PFPFRLFDTDTXLX-LEWJYISDSA-N 1 1 350.462 3.008 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000450324067 501233491 /nfs/dbraw/zinc/23/34/91/501233491.db2.gz MGHWPVYYKRHHIC-NRFANRHFSA-N 1 1 361.530 3.057 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451023243 501239973 /nfs/dbraw/zinc/23/99/73/501239973.db2.gz KBZBPCXARRVNKM-WUZYXKQASA-N 1 1 366.509 3.490 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451023243 501239974 /nfs/dbraw/zinc/23/99/74/501239974.db2.gz KBZBPCXARRVNKM-WUZYXKQASA-N 1 1 366.509 3.490 20 30 FGEDMO CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC000451210364 501252401 /nfs/dbraw/zinc/25/24/01/501252401.db2.gz JMUSUPNVKUIIRS-UHFFFAOYSA-N 1 1 372.856 3.422 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)CC(C)(C)CC#N)cc1 ZINC000451292668 501258094 /nfs/dbraw/zinc/25/80/94/501258094.db2.gz UMXXHULNYPOBKQ-CQSZACIVSA-N 1 1 360.483 3.101 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451323725 501264976 /nfs/dbraw/zinc/26/49/76/501264976.db2.gz JNBWKQZJTWPEOH-HNNXBMFYSA-N 1 1 363.870 3.267 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)CC(C)(C)CC#N ZINC000451406559 501285046 /nfs/dbraw/zinc/28/50/46/501285046.db2.gz TXOKCCJXRVVNBV-GOSISDBHSA-N 1 1 365.543 3.002 20 30 FGEDMO Cn1cc([C@H]2C[N@@H+](CC#Cc3ccccc3Cl)CC23CCOCC3)cn1 ZINC000451421811 501289464 /nfs/dbraw/zinc/28/94/64/501289464.db2.gz SZATUMJNLKCNTQ-LJQANCHMSA-N 1 1 369.896 3.321 20 30 FGEDMO C=CCn1c([C@@H]2CCCO2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000453427352 501329730 /nfs/dbraw/zinc/32/97/30/501329730.db2.gz VXKLYFYVSNJZGP-FHWLQOOXSA-N 1 1 373.545 3.406 20 30 FGEDMO C=CCn1c([C@@H]2CCCO2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000453427353 501329796 /nfs/dbraw/zinc/32/97/96/501329796.db2.gz VXKLYFYVSNJZGP-OTWHNJEPSA-N 1 1 373.545 3.406 20 30 FGEDMO Cc1nc(CNc2cc(C)[nH+]c(NCc3csc(C)n3)c2C#N)cs1 ZINC000596081823 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359.495 3.130 20 30 FGEDMO CO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCC2 ZINC000451864178 501388451 /nfs/dbraw/zinc/38/84/51/501388451.db2.gz ZKJWCUZWQSVWGU-IRXDYDNUSA-N 1 1 359.495 3.130 20 30 FGEDMO CC(C)(C)Oc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1C#N ZINC000455804108 501389744 /nfs/dbraw/zinc/38/97/44/501389744.db2.gz VYVKNOJIAHTESF-QGZVFWFLSA-N 1 1 356.470 3.438 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598970625 506252760 /nfs/dbraw/zinc/25/27/60/506252760.db2.gz WFTKWPPFBUKIKY-SFHVURJKSA-N 1 1 368.525 3.475 20 30 FGEDMO Cc1cc(C#N)cc(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1 ZINC000456003477 501436332 /nfs/dbraw/zinc/43/63/32/501436332.db2.gz NKDQBWMVRISFKS-AWEZNQCLSA-N 1 1 354.479 3.497 20 30 FGEDMO Cc1cc(C#N)cc(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1 ZINC000456003477 501436334 /nfs/dbraw/zinc/43/63/34/501436334.db2.gz NKDQBWMVRISFKS-AWEZNQCLSA-N 1 1 354.479 3.497 20 30 FGEDMO N#Cc1nc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)sc1Cl ZINC000596101991 506260180 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ZINC000481331912 501747008 /nfs/dbraw/zinc/74/70/08/501747008.db2.gz REJBHGREKNRJDL-NSHDSACASA-N 1 1 358.223 3.126 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000477754745 501777618 /nfs/dbraw/zinc/77/76/18/501777618.db2.gz LKVXJYFMCISIHF-CVEARBPZSA-N 1 1 363.468 3.006 20 30 FGEDMO C=CCOCCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000470722192 501781667 /nfs/dbraw/zinc/78/16/67/501781667.db2.gz GHQIQJCTRNIPBA-UHFFFAOYSA-N 1 1 356.388 3.056 20 30 FGEDMO C=CC[NH+]1CCC(NCc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000463744688 501810281 /nfs/dbraw/zinc/81/02/81/501810281.db2.gz LFNMFHLZXOQUHN-UHFFFAOYSA-N 1 1 368.525 3.297 20 30 FGEDMO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460390477 501812588 /nfs/dbraw/zinc/81/25/88/501812588.db2.gz WKYLMTHTIOSVDK-LJQANCHMSA-N 1 1 367.497 3.062 20 30 FGEDMO C=C(C)[C@H]([NH2+]CC(=O)NCC(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000481587296 501824180 /nfs/dbraw/zinc/82/41/80/501824180.db2.gz OMGMVPWLCHEDNQ-SFHVURJKSA-N 1 1 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352.438 3.162 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C#N)c1C ZINC000566543649 505200900 /nfs/dbraw/zinc/20/09/00/505200900.db2.gz QKZUCQIZYQSVRT-UAGQMJEPSA-N 1 1 361.511 3.191 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(C#N)c1C ZINC000566543649 505200905 /nfs/dbraw/zinc/20/09/05/505200905.db2.gz QKZUCQIZYQSVRT-UAGQMJEPSA-N 1 1 361.511 3.191 20 30 FGEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000554746428 505256035 /nfs/dbraw/zinc/25/60/35/505256035.db2.gz ZBSOCHYCZFFNHY-UHFFFAOYSA-N 1 1 366.377 3.256 20 30 FGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000554746428 505256039 /nfs/dbraw/zinc/25/60/39/505256039.db2.gz ZBSOCHYCZFFNHY-UHFFFAOYSA-N 1 1 366.377 3.256 20 30 FGEDMO CCOC(=O)C1CCC([N@@H+](CC)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000554854612 505282003 /nfs/dbraw/zinc/28/20/03/505282003.db2.gz VMWGJJCEMHESDV-UHFFFAOYSA-N 1 1 371.481 3.331 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000551875530 505330658 /nfs/dbraw/zinc/33/06/58/505330658.db2.gz YLXRLERLVSYFKL-SFTDATJTSA-N 1 1 374.488 3.388 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000555066583 505340213 /nfs/dbraw/zinc/34/02/13/505340213.db2.gz WVBVJIGFSOQGCH-UHFFFAOYSA-N 1 1 359.433 3.312 20 30 FGEDMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000567142131 505376057 /nfs/dbraw/zinc/37/60/57/505376057.db2.gz FGPDOSZVYNYBDX-NRFANRHFSA-N 1 1 368.477 3.063 20 30 FGEDMO CN(c1nnc(-c2cccc(C#N)c2)n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564360163 505394451 /nfs/dbraw/zinc/39/44/51/505394451.db2.gz XHDQPSJIMQRTGH-HXUWFJFHSA-N 1 1 372.476 3.064 20 30 FGEDMO C=CCn1c(COCc2ccccc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000558455935 505394773 /nfs/dbraw/zinc/39/47/73/505394773.db2.gz NLMMGPAOYSCTKF-MSOLQXFVSA-N 1 1 369.513 3.100 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000558475636 505402714 /nfs/dbraw/zinc/40/27/14/505402714.db2.gz FNMPACJTMCGJAZ-KRPZRDOVSA-N 1 1 373.541 3.339 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000558475636 505402715 /nfs/dbraw/zinc/40/27/15/505402715.db2.gz FNMPACJTMCGJAZ-KRPZRDOVSA-N 1 1 373.541 3.339 20 30 FGEDMO C=CCn1c(COCC)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000564386167 505403531 /nfs/dbraw/zinc/40/35/31/505403531.db2.gz BNZYKSVUAWLZNS-GOSISDBHSA-N 1 1 369.513 3.101 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000555321458 505407522 /nfs/dbraw/zinc/40/75/22/505407522.db2.gz CWUHJSPKXIKDNB-INIZCTEOSA-N 1 1 362.477 3.424 20 30 FGEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)cc1 ZINC000558605651 505437629 /nfs/dbraw/zinc/43/76/29/505437629.db2.gz RMMGABSEIPUHHM-JLMWRMLUSA-N 1 1 371.525 3.393 20 30 FGEDMO C=CCn1c(CCC(C)C)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000558662992 505455456 /nfs/dbraw/zinc/45/54/56/505455456.db2.gz WXZKJALXFHFJCL-UHFFFAOYSA-N 1 1 359.543 3.436 20 30 FGEDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000561901001 505463882 /nfs/dbraw/zinc/46/38/82/505463882.db2.gz OQXLZUYWEPJVSR-CYBMUJFWSA-N 1 1 353.388 3.131 20 30 FGEDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000561902746 505464355 /nfs/dbraw/zinc/46/43/55/505464355.db2.gz XYXCMECGNSEVOG-ACJLOTCBSA-N 1 1 367.415 3.377 20 30 FGEDMO N#Cc1cscc1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000552372075 505476000 /nfs/dbraw/zinc/47/60/00/505476000.db2.gz OHNXDEKACUJVNT-HXUWFJFHSA-N 1 1 351.475 3.358 20 30 FGEDMO CC(C)[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000555720897 505500667 /nfs/dbraw/zinc/50/06/67/505500667.db2.gz YGHKFLXENGARMM-VQIMIIECSA-N 1 1 370.497 3.173 20 30 FGEDMO C[C@H]1[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000552538147 505510015 /nfs/dbraw/zinc/51/00/15/505510015.db2.gz MBDLVMSUWCLKDI-HRAATJIYSA-N 1 1 362.477 3.017 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000567797462 505564000 /nfs/dbraw/zinc/56/40/00/505564000.db2.gz YJWKJUPIXHSSNZ-RYUDHWBXSA-N 1 1 370.266 3.247 20 30 FGEDMO C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)COc1ccccc1C#N ZINC000599249172 506385072 /nfs/dbraw/zinc/38/50/72/506385072.db2.gz SVRPTTRMJGTPMH-HXUWFJFHSA-N 1 1 365.477 3.030 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)CCOCC1 ZINC000599271114 506392092 /nfs/dbraw/zinc/39/20/92/506392092.db2.gz UTUMVKHWQXANGK-ROUUACIJSA-N 1 1 362.901 3.418 20 30 FGEDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000588973815 506401097 /nfs/dbraw/zinc/40/10/97/506401097.db2.gz HGCDQRLZNSZHBZ-INIZCTEOSA-N 1 1 357.564 3.088 20 30 FGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)C[C@H](O)COc2ccccc2C#N)cc1 ZINC000599338851 506419760 /nfs/dbraw/zinc/41/97/60/506419760.db2.gz HQLFHAFLXWIILZ-XLIONFOSSA-N 1 1 368.477 3.117 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)CCOCC1 ZINC000599366237 506429062 /nfs/dbraw/zinc/42/90/62/506429062.db2.gz NGWFPPWZVDALQH-XLIONFOSSA-N 1 1 360.473 3.467 20 30 FGEDMO CC1(C#N)CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000599366170 506429089 /nfs/dbraw/zinc/42/90/89/506429089.db2.gz LGFUHTGCQFFASL-HNNXBMFYSA-N 1 1 362.271 3.328 20 30 FGEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000599363718 506429485 /nfs/dbraw/zinc/42/94/85/506429485.db2.gz YLHJYDRPMGYZGR-KPFFTGBYSA-N 1 1 358.482 3.149 20 30 FGEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599394645 506439804 /nfs/dbraw/zinc/43/98/04/506439804.db2.gz ZFKMZJPQTMUVLT-SFHVURJKSA-N 1 1 374.525 3.366 20 30 FGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC000612121920 506448699 /nfs/dbraw/zinc/44/86/99/506448699.db2.gz UYQLHRQMMFSONO-FQEVSTJZSA-N 1 1 369.490 3.159 20 30 FGEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC000612121920 506448705 /nfs/dbraw/zinc/44/87/05/506448705.db2.gz UYQLHRQMMFSONO-FQEVSTJZSA-N 1 1 369.490 3.159 20 30 FGEDMO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000593187973 506453025 /nfs/dbraw/zinc/45/30/25/506453025.db2.gz WPODHKSLCFLPPA-OAGGEKHMSA-N 1 1 367.449 3.283 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000593187973 506453032 /nfs/dbraw/zinc/45/30/32/506453032.db2.gz WPODHKSLCFLPPA-OAGGEKHMSA-N 1 1 367.449 3.283 20 30 FGEDMO N#CC1(C[C@H](O)C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)CCOCC1 ZINC000599435718 506456944 /nfs/dbraw/zinc/45/69/44/506456944.db2.gz ZUCLDTWFSMMVSV-LPHOPBHVSA-N 1 1 368.481 3.161 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)CCOCC1 ZINC000599435718 506456947 /nfs/dbraw/zinc/45/69/47/506456947.db2.gz ZUCLDTWFSMMVSV-LPHOPBHVSA-N 1 1 368.481 3.161 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@H]2Cc2ccccc2F)CCOCC1 ZINC000599450566 506461502 /nfs/dbraw/zinc/46/15/02/506461502.db2.gz KEEFFLJIMSWYAB-RBUKOAKNSA-N 1 1 360.473 3.294 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000612148849 506462475 /nfs/dbraw/zinc/46/24/75/506462475.db2.gz IIHMUMVOPWJXFN-JENIJYKNSA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000612148849 506462485 /nfs/dbraw/zinc/46/24/85/506462485.db2.gz IIHMUMVOPWJXFN-JENIJYKNSA-N 1 1 360.889 3.420 20 30 FGEDMO Cc1cccc([C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)c1 ZINC000612174192 506472988 /nfs/dbraw/zinc/47/29/88/506472988.db2.gz URKUZVWXZZEDMU-LEWJYISDSA-N 1 1 350.462 3.290 20 30 FGEDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc(C#N)cc2Br)CC1 ZINC000612181359 506475759 /nfs/dbraw/zinc/47/57/59/506475759.db2.gz DYMAWHDBMHPUGG-UHFFFAOYSA-N 1 1 364.287 3.200 20 30 FGEDMO COCc1cc(C#N)ccc1NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000603309681 506482219 /nfs/dbraw/zinc/48/22/19/506482219.db2.gz RASCDNJXBYGJGN-UHFFFAOYSA-N 1 1 351.454 3.192 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3ncc([N+](=O)[O-])cc3C#N)C2)s1 ZINC000603400079 506503239 /nfs/dbraw/zinc/50/32/39/506503239.db2.gz IXTONBCSTWJYLB-CQSZACIVSA-N 1 1 371.466 3.190 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000589280622 506505563 /nfs/dbraw/zinc/50/55/63/506505563.db2.gz VGRQNOKMMOPWLZ-HXUWFJFHSA-N 1 1 360.461 3.024 20 30 FGEDMO CN(C(=O)NCCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000596671990 506525067 /nfs/dbraw/zinc/52/50/67/506525067.db2.gz JMNKTRQKIHBTBE-OAQYLSRUSA-N 1 1 362.477 3.017 20 30 FGEDMO C[N@@H+]1CCN(C(=O)c2cc3ccccc3n2CC#N)[C@H](Cc2ccccc2)C1 ZINC000593321211 506538499 /nfs/dbraw/zinc/53/84/99/506538499.db2.gz GEXAZTLWXVEUKF-HXUWFJFHSA-N 1 1 372.472 3.164 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2cc3ccccc3n2CC#N)[C@H](Cc2ccccc2)C1 ZINC000593321211 506538505 /nfs/dbraw/zinc/53/85/05/506538505.db2.gz GEXAZTLWXVEUKF-HXUWFJFHSA-N 1 1 372.472 3.164 20 30 FGEDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000599629536 506538827 /nfs/dbraw/zinc/53/88/27/506538827.db2.gz ILKGLURTVMFBTL-SFHVURJKSA-N 1 1 356.445 3.050 20 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C[C@@H](NC(=O)N1Cc2cccc(C#N)c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593385787 506590637 /nfs/dbraw/zinc/59/06/37/506590637.db2.gz CWKSKIYUCXGWGJ-YLJYHZDGSA-N 1 1 374.488 3.494 20 30 FGEDMO C[C@H](NC(=O)N1Cc2cccc(C#N)c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000593388035 506593224 /nfs/dbraw/zinc/59/32/24/506593224.db2.gz CSENGDFHRXWZCK-DOTOQJQBSA-N 1 1 352.482 3.236 20 30 FGEDMO CN(C(=O)CN1CC[NH+](CCC2(C#N)CCCCC2)CC1)C1CCCCC1 ZINC000583130129 506607030 /nfs/dbraw/zinc/60/70/30/506607030.db2.gz OJKFQPPZWUSFTG-UHFFFAOYSA-N 1 1 374.573 3.259 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000612540226 506616806 /nfs/dbraw/zinc/61/68/06/506616806.db2.gz UDVMLAPNTOQVAR-KBPBESRZSA-N 1 1 361.873 3.430 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000603844619 506632409 /nfs/dbraw/zinc/63/24/09/506632409.db2.gz SXSAKTGMSYOWFU-CTNGQTDRSA-N 1 1 354.425 3.469 20 30 FGEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCOC1 ZINC000589744553 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351.498 3.119 20 30 FGEDMO CC[C@H](C#N)N(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000602351692 507679857 /nfs/dbraw/zinc/67/98/57/507679857.db2.gz ARBYLSZMTYPVRG-KZNAEPCWSA-N 1 1 368.506 3.119 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([NH+]2CCC([C@@H]3CCCCO3)CC2)C1=O ZINC000595783364 507682441 /nfs/dbraw/zinc/68/24/41/507682441.db2.gz MXTSJSREKGTKDO-IRXDYDNUSA-N 1 1 359.495 3.006 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(C#N)c1C ZINC000595787651 507685569 /nfs/dbraw/zinc/68/55/69/507685569.db2.gz FNVLALGQSGRQRY-ZVZYQTTQSA-N 1 1 359.470 3.376 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(C#N)c1C ZINC000595787651 507685574 /nfs/dbraw/zinc/68/55/74/507685574.db2.gz FNVLALGQSGRQRY-ZVZYQTTQSA-N 1 1 359.470 3.376 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC2(CCCC2)O1 ZINC000592533494 507698017 /nfs/dbraw/zinc/69/80/17/507698017.db2.gz SCXGABNBAXPFMB-QGZVFWFLSA-N 1 1 365.481 3.392 20 30 FGEDMO 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1 362.543 3.381 20 30 FGEDMO CC(C)(C)OC(=O)NC1CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000752746825 722869664 /nfs/dbraw/zinc/86/96/64/722869664.db2.gz KJWLOSKGQXOKQL-UHFFFAOYSA-N 1 1 357.252 3.317 20 30 FGEDMO Brc1ccc2[nH]cc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)c2c1 ZINC000753934729 722918974 /nfs/dbraw/zinc/91/89/74/722918974.db2.gz JXMXKVFESRDFJA-GJZGRUSLSA-N 1 1 360.259 3.124 20 30 FGEDMO C[C@@H]1C[N@@H+](C2CC2)CC1=NNC(=S)Nc1cccc(Br)c1 ZINC000755892487 722958130 /nfs/dbraw/zinc/95/81/30/722958130.db2.gz OZYFRSYYYWLNDX-SNVBAGLBSA-N 1 1 367.316 3.206 20 30 FGEDMO C[C@@H]1C[N@H+](C2CC2)CC1=NNC(=S)Nc1cccc(Br)c1 ZINC000755892487 722958131 /nfs/dbraw/zinc/95/81/31/722958131.db2.gz OZYFRSYYYWLNDX-SNVBAGLBSA-N 1 1 367.316 3.206 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000756543403 722966484 /nfs/dbraw/zinc/96/64/84/722966484.db2.gz MPDUUFJAYBYSNN-OAHLLOKOSA-N 1 1 356.447 3.073 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000756543403 722966485 /nfs/dbraw/zinc/96/64/85/722966485.db2.gz MPDUUFJAYBYSNN-OAHLLOKOSA-N 1 1 356.447 3.073 20 30 FGEDMO Nc1c(Br)cc(Br)cc1C=[NH+][N-]c1cc[nH+]cc1 ZINC000763405785 723340896 /nfs/dbraw/zinc/34/08/96/723340896.db2.gz GJFBAJSZPPPVQY-UHFFFAOYSA-N 1 1 370.048 3.057 20 30 FGEDMO Cc1cc[nH+]c(N2CCN(C(=S)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000764503656 723419893 /nfs/dbraw/zinc/41/98/93/723419893.db2.gz NYIJTDPPJFIVAW-UHFFFAOYSA-N 1 1 371.897 3.434 20 30 FGEDMO CC(=NNC(=S)Nc1ccccn1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000767804192 723634970 /nfs/dbraw/zinc/63/49/70/723634970.db2.gz OWLVEZYAVWIMHV-UHFFFAOYSA-N 1 1 350.451 3.286 20 30 FGEDMO N#CCSCCC[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000796458851 723638566 /nfs/dbraw/zinc/63/85/66/723638566.db2.gz NVRUMZDTISDUQE-SFHVURJKSA-N 1 1 361.511 3.272 20 30 FGEDMO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000796709564 723651414 /nfs/dbraw/zinc/65/14/14/723651414.db2.gz LPQYLWVCIPJAID-QGZVFWFLSA-N 1 1 351.491 3.076 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1cc(C#N)cc(Cl)n1 ZINC000768381779 723656110 /nfs/dbraw/zinc/65/61/10/723656110.db2.gz MCOMOOXXKJOKNP-CYBMUJFWSA-N 1 1 354.845 3.312 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(OCCN2CCOCC2)c(Cl)c1)C(C)C ZINC000768548172 723661515 /nfs/dbraw/zinc/66/15/15/723661515.db2.gz XWKGTPZJRRHXEO-UHFFFAOYSA-N 1 1 352.906 3.447 20 30 FGEDMO N#Cc1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2)c(F)c1 ZINC000772922338 723771935 /nfs/dbraw/zinc/77/19/35/723771935.db2.gz OWSSBHGFOYMVKU-UHFFFAOYSA-N 1 1 362.202 3.188 20 30 FGEDMO C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000773604270 723805268 /nfs/dbraw/zinc/80/52/68/723805268.db2.gz YKPKXNPQHZVBHZ-ZLIFDBKOSA-N 1 1 351.853 3.324 20 30 FGEDMO C#C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000773604270 723805269 /nfs/dbraw/zinc/80/52/69/723805269.db2.gz YKPKXNPQHZVBHZ-ZLIFDBKOSA-N 1 1 351.853 3.324 20 30 FGEDMO Clc1cc(Cl)c2c(c1)C=C(C=NNCCC[NH+]1CCOCC1)CO2 ZINC000799490895 724034486 /nfs/dbraw/zinc/03/44/86/724034486.db2.gz YWFIQQHJKXXTJJ-UHFFFAOYSA-N 1 1 370.280 3.067 20 30 FGEDMO C#C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000775799981 724063455 /nfs/dbraw/zinc/06/34/55/724063455.db2.gz PWPPLBHXQYSGEI-OLZOCXBDSA-N 1 1 361.656 3.356 20 30 FGEDMO N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000801598242 724318445 /nfs/dbraw/zinc/31/84/45/724318445.db2.gz XHPDTUGCMWTHPJ-WOJBJXKFSA-N 1 1 355.869 3.256 20 30 FGEDMO COc1cc(OC)c(OC)cc1C[N@@H+](CCO[C@H](C)C#N)C(C)(C)C ZINC000801928233 724347079 /nfs/dbraw/zinc/34/70/79/724347079.db2.gz NPPBAHWRSRVFPH-CQSZACIVSA-N 1 1 350.459 3.242 20 30 FGEDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(Br)cc1C#N ZINC000805458839 725073556 /nfs/dbraw/zinc/07/35/56/725073556.db2.gz BAHSKVZIKXODOS-HNNXBMFYSA-N 1 1 351.244 3.238 20 30 FGEDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(Br)cc1C#N ZINC000805458839 725073558 /nfs/dbraw/zinc/07/35/58/725073558.db2.gz BAHSKVZIKXODOS-HNNXBMFYSA-N 1 1 351.244 3.238 20 30 FGEDMO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000809903012 725275265 /nfs/dbraw/zinc/27/52/65/725275265.db2.gz WNNKBQMFLZOGSJ-KGLIPLIRSA-N 1 1 360.893 3.098 20 30 FGEDMO COc1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1C#N ZINC000810151197 725293254 /nfs/dbraw/zinc/29/32/54/725293254.db2.gz VGQFIMBSUGGGKH-UHFFFAOYSA-N 1 1 371.238 3.267 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000812971123 726827130 /nfs/dbraw/zinc/82/71/30/726827130.db2.gz XCUAWIHDKCLTSS-KRWDZBQOSA-N 1 1 355.360 3.311 20 30 FGEDMO CC(C)([C@H](NCCOCCC#N)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000815087450 727035377 /nfs/dbraw/zinc/03/53/77/727035377.db2.gz UVTJDQCTMTXARV-GOSISDBHSA-N 1 1 351.441 3.400 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@H+]2CCOCCC#N)C1 ZINC000815202177 727051770 /nfs/dbraw/zinc/05/17/70/727051770.db2.gz WFVBWFARYHBCKP-DLBZAZTESA-N 1 1 351.491 3.028 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)s1 ZINC000819541905 727381735 /nfs/dbraw/zinc/38/17/35/727381735.db2.gz ZTWZVQUQCDDTPY-STQMWFEESA-N 1 1 371.959 3.001 20 30 FGEDMO C=CC1(CC(=O)N2CCC(C[N@H+](CCO)C(C)C)CC2)CCCCC1 ZINC000822897962 729230028 /nfs/dbraw/zinc/23/00/28/729230028.db2.gz ZSCDSMMNPWTXRR-UHFFFAOYSA-N 1 1 350.547 3.454 20 30 FGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2csc(I)c2)no1 ZINC000823015752 729244101 /nfs/dbraw/zinc/24/41/01/729244101.db2.gz KPAJZVXMNPHKFL-QMMMGPOBSA-N 1 1 374.207 3.096 20 30 FGEDMO C=CC[N@@H+](CCCON1C(=O)c2ccccc2C1=O)Cc1cccs1 ZINC000827304116 729428420 /nfs/dbraw/zinc/42/84/20/729428420.db2.gz UFYXSNOPNULGOQ-UHFFFAOYSA-N 1 1 356.447 3.354 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CCOCC1 ZINC000827566519 729431862 /nfs/dbraw/zinc/43/18/62/729431862.db2.gz WGGWZCLZQANWCB-OAHLLOKOSA-N 1 1 365.264 3.092 20 30 FGEDMO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000827912945 729437006 /nfs/dbraw/zinc/43/70/06/729437006.db2.gz OJBVDUHNVDOKSD-BVGQSLNGSA-N 1 1 366.864 3.157 20 30 FGEDMO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000827912945 729437007 /nfs/dbraw/zinc/43/70/07/729437007.db2.gz OJBVDUHNVDOKSD-BVGQSLNGSA-N 1 1 366.864 3.157 20 30 FGEDMO C#C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000842409625 730496528 /nfs/dbraw/zinc/49/65/28/730496528.db2.gz PIRGMHPGEGWNLA-HUUCEWRRSA-N 1 1 357.397 3.360 20 30 FGEDMO C#C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000842409625 730496537 /nfs/dbraw/zinc/49/65/37/730496537.db2.gz PIRGMHPGEGWNLA-HUUCEWRRSA-N 1 1 357.397 3.360 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCC#N)C2)C1 ZINC000844355200 730706761 /nfs/dbraw/zinc/70/67/61/730706761.db2.gz MCQXKRKCTDMBHC-ZACQAIPSSA-N 1 1 351.491 3.074 20 30 FGEDMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365776 730707784 /nfs/dbraw/zinc/70/77/84/730707784.db2.gz DUZHMDXDDQHZKS-IUODEOHRSA-N 1 1 354.435 3.396 20 30 FGEDMO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365776 730707787 /nfs/dbraw/zinc/70/77/87/730707787.db2.gz DUZHMDXDDQHZKS-IUODEOHRSA-N 1 1 354.435 3.396 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1Cl)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365327 730708233 /nfs/dbraw/zinc/70/82/33/730708233.db2.gz APZNSBYQHOAWIO-ACJLOTCBSA-N 1 1 357.841 3.204 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365327 730708236 /nfs/dbraw/zinc/70/82/36/730708236.db2.gz APZNSBYQHOAWIO-ACJLOTCBSA-N 1 1 357.841 3.204 20 30 FGEDMO CCCCCCCCCS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000846228627 730938080 /nfs/dbraw/zinc/93/80/80/730938080.db2.gz PGKFXAKLKGMIQX-SFHVURJKSA-N 1 1 353.532 3.108 20 30 FGEDMO O=S(=O)(c1ccc(N=NC2CCC[N@@H+]3CCCC[C@@H]23)cc1)C(F)F ZINC000848404315 731161098 /nfs/dbraw/zinc/16/10/98/731161098.db2.gz OXSRWPBYEYBUKI-HNNXBMFYSA-N 1 1 357.426 3.099 20 30 FGEDMO O=S(=O)(c1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)cc1)C(F)F ZINC000848404315 731161099 /nfs/dbraw/zinc/16/10/99/731161099.db2.gz OXSRWPBYEYBUKI-HNNXBMFYSA-N 1 1 357.426 3.099 20 30 FGEDMO C=CCCn1cc(C[NH2+][C@H](C)[C@H](O)c2c(Cl)cccc2Cl)nn1 ZINC000850170116 731328378 /nfs/dbraw/zinc/32/83/78/731328378.db2.gz XGXBEQYDXZILDN-BZNIZROVSA-N 1 1 355.269 3.373 20 30 FGEDMO N#Cc1ncc(Br)cc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000853455067 731705191 /nfs/dbraw/zinc/70/51/91/731705191.db2.gz PVGFLKKXEPBISH-LRDDRELGSA-N 1 1 361.287 3.169 20 30 FGEDMO CC[N@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553251 732038076 /nfs/dbraw/zinc/03/80/76/732038076.db2.gz LLVDYVNGYYUTTK-GOSISDBHSA-N 1 1 356.495 3.120 20 30 FGEDMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553251 732038079 /nfs/dbraw/zinc/03/80/79/732038079.db2.gz LLVDYVNGYYUTTK-GOSISDBHSA-N 1 1 356.495 3.120 20 30 FGEDMO C=C(Br)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860037510 732438390 /nfs/dbraw/zinc/43/83/90/732438390.db2.gz VZBQWFOEAJJHNU-XGUBFFRZSA-N 1 1 371.319 3.472 20 30 FGEDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000861354386 732670511 /nfs/dbraw/zinc/67/05/11/732670511.db2.gz VOOLGKAONMVZTD-IFXJQAMLSA-N 1 1 358.463 3.347 20 30 FGEDMO C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1=O ZINC000865304064 733176981 /nfs/dbraw/zinc/17/69/81/733176981.db2.gz ACSJGLJKGOIFAO-KCQAQPDRSA-N 1 1 367.902 3.194 20 30 FGEDMO C[C@@H](NC(=O)c1sccc1CC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000867265039 733461454 /nfs/dbraw/zinc/46/14/54/733461454.db2.gz CONZFZMKRQGRHM-QAPCUYQASA-N 1 1 353.491 3.455 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](OC3CCC3)CC2)C1=O ZINC000872279867 735612756 /nfs/dbraw/zinc/61/27/56/735612756.db2.gz JTUSKHZXCDIMDR-SJORKVTESA-N 1 1 359.495 3.149 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](OC3CCC3)CC2)C1=O ZINC000872279867 735612759 /nfs/dbraw/zinc/61/27/59/735612759.db2.gz JTUSKHZXCDIMDR-SJORKVTESA-N 1 1 359.495 3.149 20 30 FGEDMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC[C@@H]21 ZINC000878820024 736922112 /nfs/dbraw/zinc/92/21/12/736922112.db2.gz JTNVGCBHRHULLS-WFASDCNBSA-N 1 1 352.360 3.135 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000879226647 736970194 /nfs/dbraw/zinc/97/01/94/736970194.db2.gz SCFSJDSNLAHKKX-JKSUJKDBSA-N 1 1 351.491 3.074 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880319279 737154388 /nfs/dbraw/zinc/15/43/88/737154388.db2.gz VGXLMWFXRAVUCE-HOTGVXAUSA-N 1 1 354.479 3.268 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319279 737154390 /nfs/dbraw/zinc/15/43/90/737154390.db2.gz VGXLMWFXRAVUCE-HOTGVXAUSA-N 1 1 354.479 3.268 20 30 FGEDMO C#CCC1(O)CC[NH+](Cc2cc(=O)oc3cc(CC)c(Cl)cc23)CC1 ZINC000880480444 737179578 /nfs/dbraw/zinc/17/95/78/737179578.db2.gz SYBQOWUCFVPCQN-UHFFFAOYSA-N 1 1 359.853 3.359 20 30 FGEDMO C=CCC1(O)CC[NH+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000886755623 739292166 /nfs/dbraw/zinc/29/21/66/739292166.db2.gz NOUHCMGRIXEYSS-INIZCTEOSA-N 1 1 360.523 3.307 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(SC)c(C#N)c2)C[C@@H]1C ZINC000890452003 739800995 /nfs/dbraw/zinc/80/09/95/739800995.db2.gz HMCHZXRBUBMUSE-YOEHRIQHSA-N 1 1 360.527 3.294 20 30 FGEDMO COC(=O)[C@@H]1[C@H](C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1(F)F ZINC000893968579 742220479 /nfs/dbraw/zinc/22/04/79/742220479.db2.gz AWLVKAYQSKNBQP-KZVJFYERSA-N 1 1 369.252 3.103 20 30 FGEDMO COC(=O)[C@@H]1[C@H](C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1(F)F ZINC000893968579 742220482 /nfs/dbraw/zinc/22/04/82/742220482.db2.gz AWLVKAYQSKNBQP-KZVJFYERSA-N 1 1 369.252 3.103 20 30 FGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894417295 742280328 /nfs/dbraw/zinc/28/03/28/742280328.db2.gz LCPJZHCOVWQFTK-QZTJIDSGSA-N 1 1 351.466 3.476 20 30 FGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894417295 742280331 /nfs/dbraw/zinc/28/03/31/742280331.db2.gz LCPJZHCOVWQFTK-QZTJIDSGSA-N 1 1 351.466 3.476 20 30 FGEDMO C[C@H](CCC#N)C[N@@H+]1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC000895599171 742431823 /nfs/dbraw/zinc/43/18/23/742431823.db2.gz QPPXPKATXKSQFO-CYBMUJFWSA-N 1 1 364.515 3.466 20 30 FGEDMO C[C@H](CCC#N)C[N@H+]1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 ZINC000895599171 742431827 /nfs/dbraw/zinc/43/18/27/742431827.db2.gz QPPXPKATXKSQFO-CYBMUJFWSA-N 1 1 364.515 3.466 20 30 FGEDMO C#CCC1(O)CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000895675030 742438913 /nfs/dbraw/zinc/43/89/13/742438913.db2.gz KKFUZOJRDJEGMA-UHFFFAOYSA-N 1 1 374.282 3.189 20 30 FGEDMO C=CCC1(O)CC[NH+](Cc2cc(O)c(OC)cc2Br)CC1 ZINC000895835487 742459990 /nfs/dbraw/zinc/45/99/90/742459990.db2.gz HSFLYHKTZOSWIQ-UHFFFAOYSA-N 1 1 356.260 3.066 20 30 FGEDMO Cc1ccc(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)cc1C#N ZINC000896880882 742610996 /nfs/dbraw/zinc/61/09/96/742610996.db2.gz SNFSGUGGDAPZCV-UHFFFAOYSA-N 1 1 362.886 3.103 20 30 FGEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2cn(C)cn2)cc1OC ZINC000898045185 742737281 /nfs/dbraw/zinc/73/72/81/742737281.db2.gz 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ZINC000078658116 494338835 /nfs/dbraw/zinc/33/88/35/494338835.db2.gz LIFWRULWUNTMDL-MRXNPFEDSA-N 1 1 358.482 3.100 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccccc3OC(F)F)CC2)cc1 ZINC000073603431 494397847 /nfs/dbraw/zinc/39/78/47/494397847.db2.gz MCOJXBJJJAOLRJ-UHFFFAOYSA-N 1 1 357.404 3.477 20 30 FGEDMO CC[C@H](C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000568557968 505722090 /nfs/dbraw/zinc/72/20/90/505722090.db2.gz MDNWEMIBGWQTDP-INIZCTEOSA-N 1 1 357.479 3.028 20 30 FGEDMO CC[C@H](C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000568557968 505722093 /nfs/dbraw/zinc/72/20/93/505722093.db2.gz MDNWEMIBGWQTDP-INIZCTEOSA-N 1 1 357.479 3.028 20 30 FGEDMO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529830 494536501 /nfs/dbraw/zinc/53/65/01/494536501.db2.gz KPAFKAPZERKCSO-HOTGVXAUSA-N 1 1 351.450 3.265 20 30 FGEDMO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529830 494536506 /nfs/dbraw/zinc/53/65/06/494536506.db2.gz KPAFKAPZERKCSO-HOTGVXAUSA-N 1 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CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000092807411 494756189 /nfs/dbraw/zinc/75/61/89/494756189.db2.gz WCTNGLTXTMYYAV-INIZCTEOSA-N 1 1 363.889 3.193 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121543910 494798524 /nfs/dbraw/zinc/79/85/24/494798524.db2.gz YNIHHPIWSFTAIQ-AWEZNQCLSA-N 1 1 371.378 3.320 20 30 FGEDMO C=CCOc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)cc1OC ZINC000121642408 494827951 /nfs/dbraw/zinc/82/79/51/494827951.db2.gz RIAZWOKZSMRLFR-UHFFFAOYSA-N 1 1 354.450 3.288 20 30 FGEDMO CN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336830 494872305 /nfs/dbraw/zinc/87/23/05/494872305.db2.gz ZGUIZUGSGFHEOD-FQEVSTJZSA-N 1 1 359.477 3.160 20 30 FGEDMO Cc1cccc(N2CCC(NC(=O)N(C)Cc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000116970439 494877463 /nfs/dbraw/zinc/87/74/63/494877463.db2.gz XFAPOFCXFMEAJO-UHFFFAOYSA-N 1 1 363.465 3.072 20 30 FGEDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000093361113 494877715 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CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000122453418 494978819 /nfs/dbraw/zinc/97/88/19/494978819.db2.gz WYJGCEZTNZDXPB-CQSZACIVSA-N 1 1 366.412 3.259 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1Cl ZINC000110545105 494987930 /nfs/dbraw/zinc/98/79/30/494987930.db2.gz GCWJPSBSODPMOM-QGZVFWFLSA-N 1 1 354.841 3.337 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1Cl ZINC000110545105 494987933 /nfs/dbraw/zinc/98/79/33/494987933.db2.gz GCWJPSBSODPMOM-QGZVFWFLSA-N 1 1 354.841 3.337 20 30 FGEDMO C=CCCOCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000122656837 495010499 /nfs/dbraw/zinc/01/04/99/495010499.db2.gz LHOGVVXVINOZSH-AZUAARDMSA-N 1 1 359.514 3.274 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000097491137 495036243 /nfs/dbraw/zinc/03/62/43/495036243.db2.gz IKGYYLOMFIMSPN-UHFFFAOYSA-N 1 1 367.449 3.426 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000097491137 495036247 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FGEDMO Cc1csc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000133839241 495068716 /nfs/dbraw/zinc/06/87/16/495068716.db2.gz QBZCAUBFSPOECT-UHFFFAOYSA-N 1 1 356.495 3.456 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000577585854 505759220 /nfs/dbraw/zinc/75/92/20/505759220.db2.gz CFWYPCCQWKPTBT-JRGCBEDISA-N 1 1 369.509 3.195 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCCCOc1cccc(C#N)c1 ZINC000111541388 495086606 /nfs/dbraw/zinc/08/66/06/495086606.db2.gz XBVLLRIWTHHUPX-GOSISDBHSA-N 1 1 357.498 3.488 20 30 FGEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000111852534 495120970 /nfs/dbraw/zinc/12/09/70/495120970.db2.gz UPQYBZKTLGQILX-IPJUCJBFSA-N 1 1 372.513 3.278 20 30 FGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000134225145 495123958 /nfs/dbraw/zinc/12/39/58/495123958.db2.gz BNWHWNZKIYHHCH-CXAGYDPISA-N 1 1 355.463 3.272 20 30 FGEDMO C=CCN(CC1CCCCC1)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000112212873 495155089 /nfs/dbraw/zinc/15/50/89/495155089.db2.gz QVDISUKHESBGBW-HXUWFJFHSA-N 1 1 364.578 3.036 20 30 FGEDMO CC[C@H](O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000134495617 495158325 /nfs/dbraw/zinc/15/83/25/495158325.db2.gz NYXIGVFKASSWBI-FQEVSTJZSA-N 1 1 351.450 3.160 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000119462990 495171793 /nfs/dbraw/zinc/17/17/93/495171793.db2.gz BTPHASLHGHZFDS-AWEZNQCLSA-N 1 1 372.494 3.123 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000119462990 495171796 /nfs/dbraw/zinc/17/17/96/495171796.db2.gz BTPHASLHGHZFDS-AWEZNQCLSA-N 1 1 372.494 3.123 20 30 FGEDMO N#CCc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000103233813 495206978 /nfs/dbraw/zinc/20/69/78/495206978.db2.gz XWHHYKNIQKPHPM-FQEVSTJZSA-N 1 1 362.477 3.439 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCC[C@H]2CCO)c1C#N ZINC000112583512 495209150 /nfs/dbraw/zinc/20/91/50/495209150.db2.gz BDNTYBYYSUZWBS-KRWDZBQOSA-N 1 1 372.513 3.267 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC[C@H]2CCO)c1C#N ZINC000112583512 495209155 /nfs/dbraw/zinc/20/91/55/495209155.db2.gz BDNTYBYYSUZWBS-KRWDZBQOSA-N 1 1 372.513 3.267 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+](CCO)CCc2ccccc2)cc1Cl ZINC000112698703 495225006 /nfs/dbraw/zinc/22/50/06/495225006.db2.gz SZFQOPQZGRBBSI-UHFFFAOYSA-N 1 1 371.868 3.077 20 30 FGEDMO C[N@@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)c2ccccc2C1 ZINC000103410826 495228129 /nfs/dbraw/zinc/22/81/29/495228129.db2.gz LFXWANCHBCBRCX-UHFFFAOYSA-N 1 1 351.475 3.270 20 30 FGEDMO C[N@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)c2ccccc2C1 ZINC000103410826 495228133 /nfs/dbraw/zinc/22/81/33/495228133.db2.gz LFXWANCHBCBRCX-UHFFFAOYSA-N 1 1 351.475 3.270 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(OCC#N)cc2)C1 ZINC000124277011 495262376 /nfs/dbraw/zinc/26/23/76/495262376.db2.gz XZABYCFRBUHWIN-VQFGERMISA-N 1 1 355.482 3.086 20 30 FGEDMO COC[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000112985713 495264123 /nfs/dbraw/zinc/26/41/23/495264123.db2.gz ROKPYLRRNLHVOV-MRXNPFEDSA-N 1 1 363.889 3.254 20 30 FGEDMO CSCC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nnc2ccccn21 ZINC000119904583 495266203 /nfs/dbraw/zinc/26/62/03/495266203.db2.gz GACUZZQWUJMZJJ-QGZVFWFLSA-N 1 1 354.454 3.304 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2COc2ccccc2)cc1 ZINC000113508687 495307872 /nfs/dbraw/zinc/30/78/72/495307872.db2.gz SJOXFMXMGNIFBI-PMACEKPBSA-N 1 1 366.461 3.036 20 30 FGEDMO N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CCCCC1 ZINC000120143041 495315196 /nfs/dbraw/zinc/31/51/96/495315196.db2.gz NDOYFAMRFONGIP-QGZVFWFLSA-N 1 1 361.873 3.136 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CCCCC1 ZINC000120143041 495315202 /nfs/dbraw/zinc/31/52/02/495315202.db2.gz NDOYFAMRFONGIP-QGZVFWFLSA-N 1 1 361.873 3.136 20 30 FGEDMO Cc1nc(CC[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cs1 ZINC000120147928 495316400 /nfs/dbraw/zinc/31/64/00/495316400.db2.gz MAJHQILYKSMYBI-UHFFFAOYSA-N 1 1 363.490 3.236 20 30 FGEDMO Cc1c(C#N)c(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc2ccccc12 ZINC000580516726 505776446 /nfs/dbraw/zinc/77/64/46/505776446.db2.gz CUKJILIXHYTSCH-IBGZPJMESA-N 1 1 372.472 3.016 20 30 FGEDMO C=CCc1cc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc(OC)c1O ZINC000130285301 495367607 /nfs/dbraw/zinc/36/76/07/495367607.db2.gz ZTGXZBGKXCBWRV-UHFFFAOYSA-N 1 1 373.884 3.500 20 30 FGEDMO C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)c1ccccc1 ZINC000120427073 495375405 /nfs/dbraw/zinc/37/54/05/495375405.db2.gz IXFQZJUFGBCYNH-HXUWFJFHSA-N 1 1 363.461 3.394 20 30 FGEDMO C=CCC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccccc1 ZINC000120427073 495375407 /nfs/dbraw/zinc/37/54/07/495375407.db2.gz IXFQZJUFGBCYNH-HXUWFJFHSA-N 1 1 363.461 3.394 20 30 FGEDMO COc1cc(F)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000114501050 495386154 /nfs/dbraw/zinc/38/61/54/495386154.db2.gz BWSLXIOOOQOTMI-CHWSQXEVSA-N 1 1 371.412 3.392 20 30 FGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000125336613 495427437 /nfs/dbraw/zinc/42/74/37/495427437.db2.gz NEIURKUGUIIRNU-HZPDHXFCSA-N 1 1 351.454 3.193 20 30 FGEDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000130977557 495474422 /nfs/dbraw/zinc/47/44/22/495474422.db2.gz FCJPOYKOWOONDN-IVCQMTBJSA-N 1 1 356.491 3.336 20 30 FGEDMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C#N)cc1 ZINC000131062039 495486462 /nfs/dbraw/zinc/48/64/62/495486462.db2.gz UNRZBULCCGHBOB-INIZCTEOSA-N 1 1 371.506 3.440 20 30 FGEDMO COc1ccc(CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC(C)(C)C)cc1 ZINC000115550130 495515874 /nfs/dbraw/zinc/51/58/74/495515874.db2.gz HMRLHNLJHUHSTH-JOCHJYFZSA-N 1 1 371.525 3.394 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000115560510 495517692 /nfs/dbraw/zinc/51/76/92/495517692.db2.gz YERCBLSBHRWHHC-ICSRJNTNSA-N 1 1 354.475 3.088 20 30 FGEDMO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000115596604 495520740 /nfs/dbraw/zinc/52/07/40/495520740.db2.gz VDULXHHUPMGLRL-ZBEGNZNMSA-N 1 1 363.339 3.334 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+]CCOc2ccccc2-c2ccccc2)C(N)=O)cc1 ZINC000115598445 495520785 /nfs/dbraw/zinc/52/07/85/495520785.db2.gz OQVOJDGJKNFTRK-QFIPXVFZSA-N 1 1 371.440 3.420 20 30 FGEDMO C=CCOc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1OC ZINC000158540967 495535021 /nfs/dbraw/zinc/53/50/21/495535021.db2.gz COINHOKYQOFCPO-UHFFFAOYSA-N 1 1 354.450 3.288 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)ccc1OC ZINC000179345065 495552126 /nfs/dbraw/zinc/55/21/26/495552126.db2.gz LJXVZVIVDANNMM-LJQANCHMSA-N 1 1 372.509 3.388 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185480946 495592636 /nfs/dbraw/zinc/59/26/36/495592636.db2.gz AFMPMKMYNUIYKV-IRXDYDNUSA-N 1 1 374.554 3.158 20 30 FGEDMO C[C@H]1C[C@@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000173652155 495634868 /nfs/dbraw/zinc/63/48/68/495634868.db2.gz AWKHQTFBTCFNCT-YOEHRIQHSA-N 1 1 367.415 3.181 20 30 FGEDMO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000179620859 495663537 /nfs/dbraw/zinc/66/35/37/495663537.db2.gz QTYSOPUAULBHGK-GOSISDBHSA-N 1 1 364.417 3.351 20 30 FGEDMO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000179621787 495664779 /nfs/dbraw/zinc/66/47/79/495664779.db2.gz PBVHFXRPGQGJIU-GOSISDBHSA-N 1 1 364.417 3.351 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000176624647 495724712 /nfs/dbraw/zinc/72/47/12/495724712.db2.gz AMUJXWOAUKUINR-ZDUSSCGKSA-N 1 1 362.948 3.061 20 30 FGEDMO COc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000574552270 505799791 /nfs/dbraw/zinc/79/97/91/505799791.db2.gz RQJPLLDLOBFUGI-UHFFFAOYSA-N 1 1 355.394 3.124 20 30 FGEDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000176711157 495759188 /nfs/dbraw/zinc/75/91/88/495759188.db2.gz FGRAVBQXTMOHDS-WBMJQRKESA-N 1 1 371.462 3.093 20 30 FGEDMO C=CCC[C@@H](NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000185879856 495762254 /nfs/dbraw/zinc/76/22/54/495762254.db2.gz YTYHZPGTHGUINK-UYAOXDASSA-N 1 1 358.530 3.019 20 30 FGEDMO C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182939715 495766565 /nfs/dbraw/zinc/76/65/65/495766565.db2.gz VOISDKLRFXVHHY-LPHOPBHVSA-N 1 1 354.498 3.353 20 30 FGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000176746970 495770954 /nfs/dbraw/zinc/77/09/54/495770954.db2.gz AYZVLMGEHMWKRQ-LJQANCHMSA-N 1 1 354.498 3.210 20 30 FGEDMO COc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)ccc1OC(F)F ZINC000171345370 495830475 /nfs/dbraw/zinc/83/04/75/495830475.db2.gz BDGGXUUVGWICBM-UHFFFAOYSA-N 1 1 373.403 3.490 20 30 FGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180084836 495850280 /nfs/dbraw/zinc/85/02/80/495850280.db2.gz OWSWXIKFHQKBPP-GPMSIDNRSA-N 1 1 368.481 3.458 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186092673 495851748 /nfs/dbraw/zinc/85/17/48/495851748.db2.gz NHPVVBVDEKUDQJ-HXUWFJFHSA-N 1 1 363.461 3.220 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC000180101405 495858422 /nfs/dbraw/zinc/85/84/22/495858422.db2.gz XJTQSJPIOXMQOF-JUCHWSRGSA-N 1 1 361.445 3.164 20 30 FGEDMO C[C@@H]1C[C@@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@H+]1C ZINC000177056939 495904543 /nfs/dbraw/zinc/90/45/43/495904543.db2.gz FCGUGUVLXTWFBV-WBVHZDCISA-N 1 1 362.905 3.001 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000177138664 495944662 /nfs/dbraw/zinc/94/46/62/495944662.db2.gz HKXDFCOWOJAXFG-SFHVURJKSA-N 1 1 369.490 3.282 20 30 FGEDMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1O ZINC000177226913 495986203 /nfs/dbraw/zinc/98/62/03/495986203.db2.gz ZBHVIUFXLNCKFX-ZGOJQLDESA-N 1 1 373.497 3.152 20 30 FGEDMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1O ZINC000177226913 495986211 /nfs/dbraw/zinc/98/62/11/495986211.db2.gz ZBHVIUFXLNCKFX-ZGOJQLDESA-N 1 1 373.497 3.152 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)cs1 ZINC000177433682 496060758 /nfs/dbraw/zinc/06/07/58/496060758.db2.gz BKKLSPXHXAEETG-KRWDZBQOSA-N 1 1 354.479 3.141 20 30 FGEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571806721 505818278 /nfs/dbraw/zinc/81/82/78/505818278.db2.gz OKINMSGXHMVNRB-HXUWFJFHSA-N 1 1 353.422 3.486 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000568991150 505825352 /nfs/dbraw/zinc/82/53/52/505825352.db2.gz KZBKLZQDHZBBCJ-GOSISDBHSA-N 1 1 363.461 3.196 20 30 FGEDMO COc1cc(C#N)ccc1C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000183919966 496161436 /nfs/dbraw/zinc/16/14/36/496161436.db2.gz DVWVDUSBWSTHOR-MRXNPFEDSA-N 1 1 361.239 3.153 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@@H+](CCc1cccc(F)c1)C1CCCC1)C1CC1 ZINC000152549120 496185250 /nfs/dbraw/zinc/18/52/50/496185250.db2.gz RDQCGBXFPJISOT-NRFANRHFSA-N 1 1 357.473 3.421 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152723320 496236783 /nfs/dbraw/zinc/23/67/83/496236783.db2.gz MZIZDMFCXQGSBV-HOTGVXAUSA-N 1 1 374.554 3.209 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152723320 496236792 /nfs/dbraw/zinc/23/67/92/496236792.db2.gz MZIZDMFCXQGSBV-HOTGVXAUSA-N 1 1 374.554 3.209 20 30 FGEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1nc(C#N)cs1 ZINC000577977119 505832152 /nfs/dbraw/zinc/83/21/52/505832152.db2.gz LKCGRJUYUZDOLW-KXBFYZLASA-N 1 1 369.538 3.451 20 30 FGEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1nc(C#N)cs1 ZINC000577977119 505832155 /nfs/dbraw/zinc/83/21/55/505832155.db2.gz LKCGRJUYUZDOLW-KXBFYZLASA-N 1 1 369.538 3.451 20 30 FGEDMO C[C@H](CC#N)[N@H+](C)CCCOc1cccc(I)c1 ZINC000161837584 496246579 /nfs/dbraw/zinc/24/65/79/496246579.db2.gz UJGUEQOFHJCRKK-GFCCVEGCSA-N 1 1 358.223 3.294 20 30 FGEDMO C[C@H](CC#N)[N@@H+](C)CCCOc1cccc(I)c1 ZINC000161837584 496246584 /nfs/dbraw/zinc/24/65/84/496246584.db2.gz UJGUEQOFHJCRKK-GFCCVEGCSA-N 1 1 358.223 3.294 20 30 FGEDMO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000177912464 496248292 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N#Cc1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)c(Br)c1 ZINC000181153934 496289923 /nfs/dbraw/zinc/28/99/23/496289923.db2.gz ZIEGBMDIOQEJGJ-UHFFFAOYSA-N 1 1 372.266 3.198 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c(Br)c1 ZINC000181153934 496289927 /nfs/dbraw/zinc/28/99/27/496289927.db2.gz ZIEGBMDIOQEJGJ-UHFFFAOYSA-N 1 1 372.266 3.198 20 30 FGEDMO N#CCSCC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000152923563 496296853 /nfs/dbraw/zinc/29/68/53/496296853.db2.gz YSGDMDOOSLPDPK-UHFFFAOYSA-N 1 1 357.523 3.290 20 30 FGEDMO CCCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000181270257 496334069 /nfs/dbraw/zinc/33/40/69/496334069.db2.gz VQCRTDRLNFGFAU-FQEVSTJZSA-N 1 1 350.466 3.403 20 30 FGEDMO N#Cc1cnn2cc(C[N@H+](Cc3ccccc3)CC3CCOCC3)cnc12 ZINC000578013871 505841335 /nfs/dbraw/zinc/84/13/35/505841335.db2.gz COEVAUBDKJIFJG-UHFFFAOYSA-N 1 1 361.449 3.030 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1C ZINC000181443725 496397713 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362.539 3.400 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425248691 500055889 /nfs/dbraw/zinc/05/58/89/500055889.db2.gz RQOKQNDLNPJIAG-UHFFFAOYSA-N 1 1 360.458 3.041 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H]1c1ccc(F)cc1F ZINC000425346995 500080156 /nfs/dbraw/zinc/08/01/56/500080156.db2.gz KMDHSYQWCJUKGQ-JKSUJKDBSA-N 1 1 350.409 3.483 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429589856 500109199 /nfs/dbraw/zinc/10/91/99/500109199.db2.gz JZEHPMLSCBDHSF-PBHICJAKSA-N 1 1 360.502 3.072 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)c1 ZINC000429775580 500143277 /nfs/dbraw/zinc/14/32/77/500143277.db2.gz QBZCDVGJJUZHSO-QFBILLFUSA-N 1 1 357.498 3.033 20 30 FGEDMO CN(c1nc2c(cc1C#N)COCC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000576550284 506183766 /nfs/dbraw/zinc/18/37/66/506183766.db2.gz GQZCTLVSHXSCLZ-HXUWFJFHSA-N 1 1 362.477 3.127 20 30 FGEDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426371001 500266002 /nfs/dbraw/zinc/26/60/02/500266002.db2.gz LXAHMESLNOGLSK-AWEZNQCLSA-N 1 1 362.882 3.032 20 30 FGEDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3sc4ccc(C#N)cc4c3C)[C@H]2C1 ZINC000573396752 506186381 /nfs/dbraw/zinc/18/63/81/506186381.db2.gz VDWKEAMGFWKXBG-DLBZAZTESA-N 1 1 369.490 3.017 20 30 FGEDMO Cc1nsc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C#N ZINC000576563414 506188203 /nfs/dbraw/zinc/18/82/03/506188203.db2.gz VGJMBVNASJHODT-UKRRQHHQSA-N 1 1 361.515 3.442 20 30 FGEDMO N#CCC1(CNC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000431056959 500329459 /nfs/dbraw/zinc/32/94/59/500329459.db2.gz MJHXZIOONGYBQH-UHFFFAOYSA-N 1 1 354.498 3.030 20 30 FGEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419444472 500366077 /nfs/dbraw/zinc/36/60/77/500366077.db2.gz XVHLWHBTNRTDKR-AUUYWEPGSA-N 1 1 351.454 3.076 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C[C@H]1C ZINC000419632450 500386139 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500638785 /nfs/dbraw/zinc/63/87/85/500638785.db2.gz HEKLBISMVHPUBJ-GOSISDBHSA-N 1 1 368.412 3.102 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+](CCO)[C@@H]2CCCSC2)c1 ZINC000433207893 500647909 /nfs/dbraw/zinc/64/79/09/500647909.db2.gz LJHPDJXDEVWPLB-CQSZACIVSA-N 1 1 355.301 3.011 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@H+](CCO)[C@@H]2CCCSC2)c1 ZINC000433207893 500647911 /nfs/dbraw/zinc/64/79/11/500647911.db2.gz LJHPDJXDEVWPLB-CQSZACIVSA-N 1 1 355.301 3.011 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000437536259 500657127 /nfs/dbraw/zinc/65/71/27/500657127.db2.gz NAGVZSFHPZOGJN-INIZCTEOSA-N 1 1 360.502 3.072 20 30 FGEDMO CCC[N@@H+](Cc1c(C)nn(CC(=O)OCC)c1C)Cc1ccc(C#N)cc1 ZINC000437585996 500664613 /nfs/dbraw/zinc/66/46/13/500664613.db2.gz CCTKQBNGPSVDNQ-UHFFFAOYSA-N 1 1 368.481 3.347 20 30 FGEDMO C=CC[C@@H]1N(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CCCC1(C)C ZINC000447810397 500667463 /nfs/dbraw/zinc/66/74/63/500667463.db2.gz INPAJVYKXLUJBA-ROUUACIJSA-N 1 1 351.535 3.264 20 30 FGEDMO 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20 30 FGEDMO CC(C)CN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)C1CC1 ZINC000507821285 503374284 /nfs/dbraw/zinc/37/42/84/503374284.db2.gz DECBTTNODLLZND-UHFFFAOYSA-N 1 1 355.482 3.048 20 30 FGEDMO COC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)oc1C ZINC000507845479 503378805 /nfs/dbraw/zinc/37/88/05/503378805.db2.gz AVQPRAQNRUXWGJ-UHFFFAOYSA-N 1 1 354.406 3.290 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000503488762 503420256 /nfs/dbraw/zinc/42/02/56/503420256.db2.gz OOTKVUMYEIBEFF-CYBMUJFWSA-N 1 1 369.918 3.000 20 30 FGEDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000582705913 506374996 /nfs/dbraw/zinc/37/49/96/506374996.db2.gz ISZLNOLBNGONLA-AVRDEDQJSA-N 1 1 350.462 3.295 20 30 FGEDMO N#C[C@@]1(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC12CCCC2 ZINC000582707144 506375646 /nfs/dbraw/zinc/37/56/46/506375646.db2.gz DXRKBLFBNBNRKM-GHTZIAJQSA-N 1 1 369.534 3.194 20 30 FGEDMO N#C[C@@]1(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC12CCCC2 ZINC000582707144 506375653 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C[N@@H+](Cc1ccccc1)[C@@H](CNc1cc(N)c([N+](=O)[O-])c(C#N)c1)C1CC1 ZINC000588022068 507737607 /nfs/dbraw/zinc/73/76/07/507737607.db2.gz ZSORVUWTAQHTDC-IBGZPJMESA-N 1 1 365.437 3.371 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909724 507737634 /nfs/dbraw/zinc/73/76/34/507737634.db2.gz MXXCKUINPPQJPS-RWJFLNCRSA-N 1 1 373.541 3.198 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595911985 507739016 /nfs/dbraw/zinc/73/90/16/507739016.db2.gz XNNUCIJLOQLETN-XMCHAPAWSA-N 1 1 373.884 3.431 20 30 FGEDMO N#Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739106394 600597000 /nfs/dbraw/zinc/59/70/00/600597000.db2.gz LZTJHKMELIVOMI-TZIWHRDSSA-N 1 1 363.461 3.186 20 30 FGEDMO CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)CC1 ZINC000828289647 601317171 /nfs/dbraw/zinc/31/71/71/601317171.db2.gz KLTQADIWLAHCJI-UYAOXDASSA-N 1 1 355.482 3.128 20 30 FGEDMO CC1CC[NH+](C[C@H]2CCC[N@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)CC1 ZINC000828289647 601317173 /nfs/dbraw/zinc/31/71/73/601317173.db2.gz KLTQADIWLAHCJI-UYAOXDASSA-N 1 1 355.482 3.128 20 30 FGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820121599 607059800 /nfs/dbraw/zinc/05/98/00/607059800.db2.gz RFKMRLLIABXYHR-UHFFFAOYSA-N 1 1 350.401 3.288 20 30 FGEDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C#N)cc1OC ZINC000825317986 608354480 /nfs/dbraw/zinc/35/44/80/608354480.db2.gz GKEDRSLZLDGCIH-UHFFFAOYSA-N 1 1 362.437 3.159 20 30 FGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000824293233 608387788 /nfs/dbraw/zinc/38/77/88/608387788.db2.gz IMEHIGVXBRZVCT-UHFFFAOYSA-N 1 1 350.401 3.288 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000823914761 608387921 /nfs/dbraw/zinc/38/79/21/608387921.db2.gz MWSHLBWHQJNHPA-GOSISDBHSA-N 1 1 369.856 3.242 20 30 FGEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cnc(Cl)c(C)c1 ZINC000823915073 608632627 /nfs/dbraw/zinc/63/26/27/608632627.db2.gz RSROZZXIEGGYET-UHFFFAOYSA-N 1 1 354.845 3.412 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cnc(Cl)c(C)c1 ZINC000823915073 608632628 /nfs/dbraw/zinc/63/26/28/608632628.db2.gz RSROZZXIEGGYET-UHFFFAOYSA-N 1 1 354.845 3.412 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045378684 695820827 /nfs/dbraw/zinc/82/08/27/695820827.db2.gz YOPGCNLFUHUBGU-IYBDPMFKSA-N 1 1 365.543 3.334 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045378684 695820829 /nfs/dbraw/zinc/82/08/29/695820829.db2.gz YOPGCNLFUHUBGU-IYBDPMFKSA-N 1 1 365.543 3.334 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1nnc(-c2cccc(Cl)c2)o1 ZINC000111179408 700546591 /nfs/dbraw/zinc/54/65/91/700546591.db2.gz YXXGYTCPKWLXPV-GFCCVEGCSA-N 1 1 363.849 3.053 20 30 FGEDMO C=CCN(C)Cn1nc(C[NH+]2CCCC2)n(Cc2ccccc2)c1=S ZINC000155053506 705061237 /nfs/dbraw/zinc/06/12/37/705061237.db2.gz OSXSTNQWQIZORN-UHFFFAOYSA-N 1 1 357.527 3.133 20 30 FGEDMO C=C(Br)CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000156653640 705126602 /nfs/dbraw/zinc/12/66/02/705126602.db2.gz OTGCMBUJFLCFKV-UHFFFAOYSA-N 1 1 354.292 3.105 20 30 FGEDMO C#CC[NH+]1CCC(C(=O)Oc2ccc(Cl)cc2Br)CC1 ZINC000195000675 713542584 /nfs/dbraw/zinc/54/25/84/713542584.db2.gz WLAGLWKKJXQEEH-UHFFFAOYSA-N 1 1 356.647 3.353 20 30 FGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000329535120 713830236 /nfs/dbraw/zinc/83/02/36/713830236.db2.gz LEEUYMGQRDOYJX-CABCVRRESA-N 1 1 355.548 3.155 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cccc(Cl)c1 ZINC000375036073 713962199 /nfs/dbraw/zinc/96/21/99/713962199.db2.gz GRBDKBHORIZLJP-KDOFPFPSSA-N 1 1 356.857 3.353 20 30 FGEDMO C=CCOc1c(Br)cc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414909067 714005490 /nfs/dbraw/zinc/00/54/90/714005490.db2.gz BVZJGXWYWLPTKW-KBPBESRZSA-N 1 1 369.303 3.382 20 30 FGEDMO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000521814808 714149682 /nfs/dbraw/zinc/14/96/82/714149682.db2.gz JYUSGZDVKLJXHV-UHFFFAOYSA-N 1 1 372.266 3.069 20 30 FGEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000521814808 714149686 /nfs/dbraw/zinc/14/96/86/714149686.db2.gz JYUSGZDVKLJXHV-UHFFFAOYSA-N 1 1 372.266 3.069 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000523439231 714234408 /nfs/dbraw/zinc/23/44/08/714234408.db2.gz OUGCDZIJZWKKEY-KRWDZBQOSA-N 1 1 361.555 3.017 20 30 FGEDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CCCO1 ZINC000617814325 714691690 /nfs/dbraw/zinc/69/16/90/714691690.db2.gz UMVQUHLVACPCSV-GFCCVEGCSA-N 1 1 370.280 3.096 20 30 FGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000618806786 714779988 /nfs/dbraw/zinc/77/99/88/714779988.db2.gz SHJMQSLIWCBXHN-ZWKOTPCHSA-N 1 1 356.422 3.193 20 30 FGEDMO CC[N@H+]1CCN(c2c(C#N)cnc3c(Br)cccc32)C[C@H]1C ZINC000619651343 714859256 /nfs/dbraw/zinc/85/92/56/714859256.db2.gz LBPMMKMNIQBTJV-GFCCVEGCSA-N 1 1 359.271 3.399 20 30 FGEDMO C#CCOc1cccc(Cl)c1CN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000779153827 724395837 /nfs/dbraw/zinc/39/58/37/724395837.db2.gz MAYBZMYKNWGVHK-QGZVFWFLSA-N 1 1 362.901 3.039 20 30 FGEDMO Cc1ncc(C=NNc2cc[nH+]cc2)n1-c1ccc(Br)cc1 ZINC000779809787 724428320 /nfs/dbraw/zinc/42/83/20/724428320.db2.gz QFHKVBRUBSROAK-UHFFFAOYSA-N 1 1 356.227 3.206 20 30 FGEDMO C[N@H+](CC(=O)OCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCSC1 ZINC000772047053 723749591 /nfs/dbraw/zinc/74/95/91/723749591.db2.gz HSDFHYIVBOFBKU-OAHLLOKOSA-N 1 1 357.397 3.037 20 30 FGEDMO C[N@@H+](CC(=O)OCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCSC1 ZINC000772047053 723749593 /nfs/dbraw/zinc/74/95/93/723749593.db2.gz HSDFHYIVBOFBKU-OAHLLOKOSA-N 1 1 357.397 3.037 20 30 FGEDMO C=CCCCS(=O)(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000644198183 718093836 /nfs/dbraw/zinc/09/38/36/718093836.db2.gz FRNZYFBPCDQOGF-SLFFLAALSA-N 1 1 362.539 3.173 20 30 FGEDMO Cc1cc(C#N)nc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000804445543 724518409 /nfs/dbraw/zinc/51/84/09/724518409.db2.gz INYHFRQPACZTFB-HNNXBMFYSA-N 1 1 357.845 3.092 20 30 FGEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(C#N)cc(Cl)n1)CC2 ZINC001164647425 719306606 /nfs/dbraw/zinc/30/66/06/719306606.db2.gz MAKFARULXUHXHF-UHFFFAOYSA-N 1 1 358.877 3.008 20 30 FGEDMO C[N@H+]1CC[C@]2(C1)CCCN(CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000660658471 720093906 /nfs/dbraw/zinc/09/39/06/720093906.db2.gz CRQSNJNSEZBUSW-SFHVURJKSA-N 1 1 352.400 3.354 20 30 FGEDMO C=CC[C@@]1(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CCC[NH2+]1 ZINC000662664193 720451118 /nfs/dbraw/zinc/45/11/18/720451118.db2.gz UFIWHEWAYQJSAJ-PXNSSMCTSA-N 1 1 361.555 3.336 20 30 FGEDMO C=CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H](C)COC ZINC000664547460 720655693 /nfs/dbraw/zinc/65/56/93/720655693.db2.gz XGHZYLBXBOGHAD-BMGDILEWSA-N 1 1 365.905 3.318 20 30 FGEDMO C=CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H](C)COC ZINC000664547460 720655698 /nfs/dbraw/zinc/65/56/98/720655698.db2.gz XGHZYLBXBOGHAD-BMGDILEWSA-N 1 1 365.905 3.318 20 30 FGEDMO Cc1ccc(CC#N)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164955249 722022364 /nfs/dbraw/zinc/02/23/64/722022364.db2.gz BXTOXOOEKDWXSM-UHFFFAOYSA-N 1 1 361.493 3.344 20 30 FGEDMO N#Cc1cc(F)cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995715 722194715 /nfs/dbraw/zinc/19/47/15/722194715.db2.gz XEXNDMQHASUKCJ-FQEVSTJZSA-N 1 1 354.404 3.476 20 30 FGEDMO C#Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nc1 ZINC000728804278 722454612 /nfs/dbraw/zinc/45/46/12/722454612.db2.gz VQMKYNKVJTXSPP-LJQANCHMSA-N 1 1 353.853 3.283 20 30 FGEDMO C#Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc1 ZINC000728861047 722454830 /nfs/dbraw/zinc/45/48/30/722454830.db2.gz ZYACUYQSCYKWNY-LJQANCHMSA-N 1 1 353.853 3.283 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1(c2cccc(Br)c2)CC1 ZINC000729812414 722462754 /nfs/dbraw/zinc/46/27/54/722462754.db2.gz VBJDHXPGFXCVHQ-MRXNPFEDSA-N 1 1 362.267 3.122 20 30 FGEDMO C#CC[N@@H+](CCC(=O)OCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000733614036 722499698 /nfs/dbraw/zinc/49/96/98/722499698.db2.gz VLCQHAYZPWJZOZ-HNNXBMFYSA-N 1 1 366.255 3.161 20 30 FGEDMO C#CC[N@H+](CCC(=O)OCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000733614036 722499699 /nfs/dbraw/zinc/49/96/99/722499699.db2.gz VLCQHAYZPWJZOZ-HNNXBMFYSA-N 1 1 366.255 3.161 20 30 FGEDMO C=CC[C@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccncc1 ZINC000734660590 722509109 /nfs/dbraw/zinc/50/91/09/722509109.db2.gz DBYLQOIZSRIUAA-KRWDZBQOSA-N 1 1 356.495 3.118 20 30 FGEDMO C=CC[C@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccncc1 ZINC000734660590 722509110 /nfs/dbraw/zinc/50/91/10/722509110.db2.gz DBYLQOIZSRIUAA-KRWDZBQOSA-N 1 1 356.495 3.118 20 30 FGEDMO C#CC[N@@H+](CCCC(=O)OC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000734852528 722510660 /nfs/dbraw/zinc/51/06/60/722510660.db2.gz RWVUTOMKMIOHBS-OAHLLOKOSA-N 1 1 366.255 3.161 20 30 FGEDMO C#CC[N@H+](CCCC(=O)OC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000734852528 722510661 /nfs/dbraw/zinc/51/06/61/722510661.db2.gz RWVUTOMKMIOHBS-OAHLLOKOSA-N 1 1 366.255 3.161 20 30 FGEDMO C#CC[NH2+]CC(=O)Nc1ccc(COc2ccc(Br)cc2)cc1 ZINC000740602734 722536645 /nfs/dbraw/zinc/53/66/45/722536645.db2.gz KBKKNVWMCBLRIM-UHFFFAOYSA-N 1 1 373.250 3.189 20 30 FGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCOc2ccc(SC)cc2)c1 ZINC000743841123 722571737 /nfs/dbraw/zinc/57/17/37/722571737.db2.gz FKGHSVRXSMDHEF-UHFFFAOYSA-N 1 1 354.475 3.339 20 30 FGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCOc2ccc(SC)cc2)c1 ZINC000743841123 722571738 /nfs/dbraw/zinc/57/17/38/722571738.db2.gz FKGHSVRXSMDHEF-UHFFFAOYSA-N 1 1 354.475 3.339 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C[C@H](C)S1 ZINC000744414536 722576730 /nfs/dbraw/zinc/57/67/30/722576730.db2.gz ZNQDRIKZRURZAX-GUTXKFCHSA-N 1 1 352.463 3.049 20 30 FGEDMO C=C(Br)C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755134018 722950558 /nfs/dbraw/zinc/95/05/58/722950558.db2.gz RNQURADYZVKSJT-TZMCWYRMSA-N 1 1 361.642 3.249 20 30 FGEDMO C[C@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCS1 ZINC000755199086 722951279 /nfs/dbraw/zinc/95/12/79/722951279.db2.gz JEUYWEJEHKXLRI-ZFWWWQNUSA-N 1 1 352.463 3.051 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2SCC#N)[C@H]1c1ccccc1 ZINC000759948200 723030407 /nfs/dbraw/zinc/03/04/07/723030407.db2.gz OQGRJESSVBVAFW-IEBWSBKVSA-N 1 1 351.475 3.477 20 30 FGEDMO COCCN(C)c1ccc(C=[NH+]Nc2cccc(Br)c2)cn1 ZINC000790155424 723110823 /nfs/dbraw/zinc/11/08/23/723110823.db2.gz JRVFPUAXHDHBLK-UHFFFAOYSA-N 1 1 363.259 3.373 20 30 FGEDMO C=CCN1CC(=O)N(C[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1=O ZINC000761005801 723112062 /nfs/dbraw/zinc/11/20/62/723112062.db2.gz PWFOGQXFNNYVFV-HNNXBMFYSA-N 1 1 365.836 3.066 20 30 FGEDMO C#CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000790611947 723158691 /nfs/dbraw/zinc/15/86/91/723158691.db2.gz ZGHWLBRAVKLJTM-CQSZACIVSA-N 1 1 361.795 3.198 20 30 FGEDMO C#CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000790611947 723158693 /nfs/dbraw/zinc/15/86/93/723158693.db2.gz ZGHWLBRAVKLJTM-CQSZACIVSA-N 1 1 361.795 3.198 20 30 FGEDMO COC1(C=[NH+]n2cnnc2SCc2ccc(Cl)cc2)CCOCC1 ZINC000761777721 723183213 /nfs/dbraw/zinc/18/32/13/723183213.db2.gz KQNAYLAUNUFZNF-UHFFFAOYSA-N 1 1 366.874 3.253 20 30 FGEDMO C#CC[N@@H+](Cc1sc(N2CCOCC2)nc1-c1ccccc1)C1CC1 ZINC000764680799 723436951 /nfs/dbraw/zinc/43/69/51/723436951.db2.gz ATJTZLLILGSTTL-UHFFFAOYSA-N 1 1 353.491 3.244 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=S)Nc1ccccc1C#N ZINC000764930625 723460443 /nfs/dbraw/zinc/46/04/43/723460443.db2.gz MSGRNXCZVNMHDL-KXBFYZLASA-N 1 1 350.491 3.365 20 30 FGEDMO CCCCCCC[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000793793182 723468184 /nfs/dbraw/zinc/46/81/84/723468184.db2.gz TYJDEANVYYWCMT-OKZBNKHCSA-N 1 1 353.551 3.040 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000765799681 723541667 /nfs/dbraw/zinc/54/16/67/723541667.db2.gz YDQKKXVUWAHUPR-VDZJLULYSA-N 1 1 350.890 3.332 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765799681 723541669 /nfs/dbraw/zinc/54/16/69/723541669.db2.gz YDQKKXVUWAHUPR-VDZJLULYSA-N 1 1 350.890 3.332 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC2)c1C#N ZINC000796031413 723618158 /nfs/dbraw/zinc/61/81/58/723618158.db2.gz ACRPILLLFHDTIT-GOSISDBHSA-N 1 1 355.873 3.063 20 30 FGEDMO Oc1c(Cl)cc(Cl)cc1/C=N\C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000767687156 723628849 /nfs/dbraw/zinc/62/88/49/723628849.db2.gz GONXHFGRGBGUCD-ZTHXOMDQSA-N 1 1 357.281 3.496 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C(C)C ZINC000798544717 723941892 /nfs/dbraw/zinc/94/18/92/723941892.db2.gz RKICHIAQDPVJCI-JCGIZDLHSA-N 1 1 365.880 3.429 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)C1=O ZINC000799126931 723989619 /nfs/dbraw/zinc/98/96/19/723989619.db2.gz CIZZKSQKPFXIKS-OALUTQOASA-N 1 1 356.491 3.071 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)C1=O ZINC000799126931 723989621 /nfs/dbraw/zinc/98/96/21/723989621.db2.gz CIZZKSQKPFXIKS-OALUTQOASA-N 1 1 356.491 3.071 20 30 FGEDMO C#C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000775793537 724062456 /nfs/dbraw/zinc/06/24/56/724062456.db2.gz MBZVGLDFLOVVLQ-TZMCWYRMSA-N 1 1 360.763 3.068 20 30 FGEDMO Clc1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1Br ZINC000776188083 724117037 /nfs/dbraw/zinc/11/70/37/724117037.db2.gz VNCYQLUZEAKUCW-STQMWFEESA-N 1 1 355.667 3.296 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@@H](OCCOC)C1 ZINC000800850144 724237515 /nfs/dbraw/zinc/23/75/15/724237515.db2.gz LVFXKZUHDFAVCM-MRXNPFEDSA-N 1 1 361.511 3.399 20 30 FGEDMO CN(CC(F)F)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000778221065 724312326 /nfs/dbraw/zinc/31/23/26/724312326.db2.gz HMNKNTCTJRXSCQ-UHFFFAOYSA-N 1 1 372.257 3.482 20 30 FGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000789325555 725122326 /nfs/dbraw/zinc/12/23/26/725122326.db2.gz GYDJWELQHJZBNX-UHFFFAOYSA-N 1 1 351.372 3.480 20 30 FGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(OCC(F)(F)F)cc2)n1 ZINC000789325555 725122328 /nfs/dbraw/zinc/12/23/28/725122328.db2.gz GYDJWELQHJZBNX-UHFFFAOYSA-N 1 1 351.372 3.480 20 30 FGEDMO C#CCOc1ccccc1C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000810144825 725292592 /nfs/dbraw/zinc/29/25/92/725292592.db2.gz IREGTPQUWFVOJB-UHFFFAOYSA-N 1 1 370.250 3.399 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC000811457232 725366469 /nfs/dbraw/zinc/36/64/69/725366469.db2.gz GZQORFRYSXZOOK-UHFFFAOYSA-N 1 1 368.308 3.021 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3nc(C#N)cs3)C[C@@H]21 ZINC000811490557 725369037 /nfs/dbraw/zinc/36/90/37/725369037.db2.gz UTACSCCJJLTOKO-AEGPPILISA-N 1 1 362.499 3.140 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(C#N)cs3)C[C@@H]21 ZINC000811490557 725369039 /nfs/dbraw/zinc/36/90/39/725369039.db2.gz UTACSCCJJLTOKO-AEGPPILISA-N 1 1 362.499 3.140 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199905 727051299 /nfs/dbraw/zinc/05/12/99/727051299.db2.gz JPXBFTNJOWSDOC-BRWVUGGUSA-N 1 1 351.491 3.027 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815447627 727074354 /nfs/dbraw/zinc/07/43/54/727074354.db2.gz VQQQUHCUHWBUKI-WMZOPIPTSA-N 1 1 350.503 3.140 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815447627 727074358 /nfs/dbraw/zinc/07/43/58/727074358.db2.gz VQQQUHCUHWBUKI-WMZOPIPTSA-N 1 1 350.503 3.140 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(C)nc1Sc1ccccc1 ZINC000818588704 727315338 /nfs/dbraw/zinc/31/53/38/727315338.db2.gz CMAUKDPIMNZDPY-UHFFFAOYSA-N 1 1 353.491 3.226 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000818595566 727315807 /nfs/dbraw/zinc/31/58/07/727315807.db2.gz ATXGTMVIKFTDMS-CYBMUJFWSA-N 1 1 369.278 3.153 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)s1 ZINC000819313500 727366285 /nfs/dbraw/zinc/36/62/85/727366285.db2.gz HPJMZIILNDHQAB-DGCLKSJQSA-N 1 1 373.975 3.438 20 30 FGEDMO C#C[C@@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccc(Cl)cc1F ZINC000820745032 729024749 /nfs/dbraw/zinc/02/47/49/729024749.db2.gz PXGZJSKXOXJHKF-SUMWQHHRSA-N 1 1 351.853 3.137 20 30 FGEDMO C#C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccc(Cl)cc1F ZINC000820744821 729024905 /nfs/dbraw/zinc/02/49/05/729024905.db2.gz LIMZGQRYSJGDOH-BVGQSLNGSA-N 1 1 363.864 3.279 20 30 FGEDMO CCOc1c(Cl)cc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc1OC ZINC000822905554 729230460 /nfs/dbraw/zinc/23/04/60/729230460.db2.gz FGXHVPMULQOPOQ-GFCCVEGCSA-N 1 1 350.806 3.491 20 30 FGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cc(Cl)ccc2O[C@@H]2CCOC2)no1 ZINC000822979932 729239980 /nfs/dbraw/zinc/23/99/80/729239980.db2.gz AKUXBWIPDWIZLT-TZMCWYRMSA-N 1 1 362.817 3.251 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000824608705 729350202 /nfs/dbraw/zinc/35/02/02/729350202.db2.gz NAVGSQXKJSEQTJ-OAHLLOKOSA-N 1 1 362.901 3.466 20 30 FGEDMO C#CCCOc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000826893814 729418186 /nfs/dbraw/zinc/41/81/86/729418186.db2.gz BPBRQVCYUPBEIX-UHFFFAOYSA-N 1 1 351.475 3.344 20 30 FGEDMO COc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(C)c1OC ZINC000826894414 729418216 /nfs/dbraw/zinc/41/82/16/729418216.db2.gz OTWAPZWDLDXDTF-UHFFFAOYSA-N 1 1 357.479 3.268 20 30 FGEDMO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000829788790 729512183 /nfs/dbraw/zinc/51/21/83/729512183.db2.gz GXTOLUCGXHJMES-GFCCVEGCSA-N 1 1 353.235 3.262 20 30 FGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000829788790 729512185 /nfs/dbraw/zinc/51/21/85/729512185.db2.gz GXTOLUCGXHJMES-GFCCVEGCSA-N 1 1 353.235 3.262 20 30 FGEDMO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+]CC3(CC#N)CC3)sc2C1 ZINC000835051288 729853152 /nfs/dbraw/zinc/85/31/52/729853152.db2.gz JGNVMEGBSOCROP-UHFFFAOYSA-N 1 1 362.499 3.220 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC(F)(F)F)c1ccccc1C ZINC000836490177 729957542 /nfs/dbraw/zinc/95/75/42/729957542.db2.gz MFEYAJDMPYVTKF-INIZCTEOSA-N 1 1 355.404 3.243 20 30 FGEDMO C#CC[C@H]1CCC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000842628778 730521767 /nfs/dbraw/zinc/52/17/67/730521767.db2.gz GEBSTPOITKJWHF-AWEZNQCLSA-N 1 1 359.267 3.457 20 30 FGEDMO CON=Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1 ZINC000843473282 730623527 /nfs/dbraw/zinc/62/35/27/730623527.db2.gz HTHRMABRXBVXDF-GOSISDBHSA-N 1 1 357.841 3.107 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844435414 730717203 /nfs/dbraw/zinc/71/72/03/730717203.db2.gz DDQKUBVGMMGKHH-AUCMRZJMSA-N 1 1 353.457 3.427 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCC#N)C1 ZINC000844461553 730722223 /nfs/dbraw/zinc/72/22/23/730722223.db2.gz KLVIWMQCAWDSQO-ZACQAIPSSA-N 1 1 351.491 3.217 20 30 FGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846765054 730978222 /nfs/dbraw/zinc/97/82/22/730978222.db2.gz XWFGLKDSXGTIOO-SFHVURJKSA-N 1 1 352.500 3.108 20 30 FGEDMO CCS(=O)(=O)C=C(C)NNc1ccc(-c2ccc(Cl)s2)n[nH+]1 ZINC000848414556 731162041 /nfs/dbraw/zinc/16/20/41/731162041.db2.gz NXYJUDJYBVUEPM-UHFFFAOYSA-N 1 1 358.876 3.081 20 30 FGEDMO C#C[C@@H]1CCC[N@@H+](CN2C[C@H](c3cccc(C(F)(F)F)c3)CC2=O)C1 ZINC000848492773 731170528 /nfs/dbraw/zinc/17/05/28/731170528.db2.gz BTBWSHDWVVRKNM-GDBMZVCRSA-N 1 1 350.384 3.324 20 30 FGEDMO C#C[C@@H]1CCC[N@H+](CN2C[C@H](c3cccc(C(F)(F)F)c3)CC2=O)C1 ZINC000848492773 731170530 /nfs/dbraw/zinc/17/05/30/731170530.db2.gz BTBWSHDWVVRKNM-GDBMZVCRSA-N 1 1 350.384 3.324 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000848567080 731182639 /nfs/dbraw/zinc/18/26/39/731182639.db2.gz BQBGGRUOFVKSRC-HKUYNNGSSA-N 1 1 372.262 3.209 20 30 FGEDMO C#CCOCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000851725217 731487632 /nfs/dbraw/zinc/48/76/32/731487632.db2.gz WKEHFWNDTKOILO-AWEZNQCLSA-N 1 1 356.388 3.394 20 30 FGEDMO C[C@]1(Cc2ccccc2C(F)(F)F)CCC[N@@H+]1CC(=O)NCCC#N ZINC000852710725 731623116 /nfs/dbraw/zinc/62/31/16/731623116.db2.gz AWWPMHDLJCVSNS-QGZVFWFLSA-N 1 1 353.388 3.132 20 30 FGEDMO C[C@]1(Cc2ccccc2C(F)(F)F)CCC[N@H+]1CC(=O)NCCC#N ZINC000852710725 731623117 /nfs/dbraw/zinc/62/31/17/731623117.db2.gz AWWPMHDLJCVSNS-QGZVFWFLSA-N 1 1 353.388 3.132 20 30 FGEDMO COc1ccc(C[NH2+]Cc2cc(Br)cnc2OC)cc1C#N ZINC000858249021 732196956 /nfs/dbraw/zinc/19/69/56/732196956.db2.gz HNMJPPAOPMYRTA-UHFFFAOYSA-N 1 1 362.227 3.023 20 30 FGEDMO Cn1ccnc1N=NC1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863109313 732915613 /nfs/dbraw/zinc/91/56/13/732915613.db2.gz JQYLVOFOBXFYKN-HNNXBMFYSA-N 1 1 362.275 3.417 20 30 FGEDMO Cn1ccnc1N=NC1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863109313 732915615 /nfs/dbraw/zinc/91/56/15/732915615.db2.gz JQYLVOFOBXFYKN-HNNXBMFYSA-N 1 1 362.275 3.417 20 30 FGEDMO Cn1cc[nH+]c1N1CCC(Nc2c(Br)cccc2C#N)CC1 ZINC000865722978 733259570 /nfs/dbraw/zinc/25/95/70/733259570.db2.gz SKSLWYCJHXHTKG-UHFFFAOYSA-N 1 1 360.259 3.135 20 30 FGEDMO COc1ccc([C@H]2CN(C(=O)c3ccc(Cl)c(C#N)c3)CC[NH2+]2)cc1 ZINC000870141802 733815960 /nfs/dbraw/zinc/81/59/60/733815960.db2.gz CPCVNIYLBIHRJG-GOSISDBHSA-N 1 1 355.825 3.007 20 30 FGEDMO N#Cc1cnc(Cl)c(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000877006987 736173933 /nfs/dbraw/zinc/17/39/33/736173933.db2.gz YRCPYTPZYWWKCD-HNNXBMFYSA-N 1 1 355.747 3.146 20 30 FGEDMO N#Cc1cccc(C[NH2+]C[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)n1 ZINC000877074921 736184214 /nfs/dbraw/zinc/18/42/14/736184214.db2.gz GFLZMAYUWNTCOG-HNNXBMFYSA-N 1 1 355.747 3.146 20 30 FGEDMO N#Cc1ccc(C2CC[NH+](Cc3cccc(Br)n3)CC2)nc1 ZINC000879024037 736947460 /nfs/dbraw/zinc/94/74/60/736947460.db2.gz UGTWVACIEHOVLU-UHFFFAOYSA-N 1 1 357.255 3.490 20 30 FGEDMO CC[C@H](CO)[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000879743260 737040174 /nfs/dbraw/zinc/04/01/74/737040174.db2.gz ZCPYOIHMJAGURB-QGZVFWFLSA-N 1 1 357.479 3.221 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3nccs3)C2)cc1Cl ZINC000880318517 737153818 /nfs/dbraw/zinc/15/38/18/737153818.db2.gz GTYBJRUPPCLQRG-ZDUSSCGKSA-N 1 1 360.870 3.486 20 30 FGEDMO C#CCC1(O)CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000880480565 737179644 /nfs/dbraw/zinc/17/96/44/737179644.db2.gz 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N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000103481075 495241937 /nfs/dbraw/zinc/24/19/37/495241937.db2.gz CNAWXVLONOMIEP-KRWDZBQOSA-N 1 1 366.490 3.427 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000124273615 495260891 /nfs/dbraw/zinc/26/08/91/495260891.db2.gz OCGVJPOOUMCBRC-AWEZNQCLSA-N 1 1 355.360 3.312 20 30 FGEDMO C=CCNc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000129637577 495273306 /nfs/dbraw/zinc/27/33/06/495273306.db2.gz USRUMRQYSADCSC-WBVHZDCISA-N 1 1 370.522 3.381 20 30 FGEDMO CCC[N@@H+]1CC[C@@H](CNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113326809 495296292 /nfs/dbraw/zinc/29/62/92/495296292.db2.gz IMSVBAHUJKXXOU-SFHVURJKSA-N 1 1 351.498 3.285 20 30 FGEDMO CCC[N@H+]1CC[C@@H](CNCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113326809 495296295 /nfs/dbraw/zinc/29/62/95/495296295.db2.gz IMSVBAHUJKXXOU-SFHVURJKSA-N 1 1 351.498 3.285 20 30 FGEDMO CCN(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000104714416 495300260 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FGEDMO C[N@@H+](CC(=O)Nc1nc(-c2cccc(C#N)c2)cs1)[C@@H]1CCSC1 ZINC000120434051 495377299 /nfs/dbraw/zinc/37/72/99/495377299.db2.gz QVUACOCUTNQNTA-CQSZACIVSA-N 1 1 358.492 3.058 20 30 FGEDMO COc1cc(F)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000114501046 495386437 /nfs/dbraw/zinc/38/64/37/495386437.db2.gz BWSLXIOOOQOTMI-STQMWFEESA-N 1 1 371.412 3.392 20 30 FGEDMO C=CCN(CC=C)C(=O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000120781475 495455788 /nfs/dbraw/zinc/45/57/88/495455788.db2.gz LKMHQMXSRSICLK-UHFFFAOYSA-N 1 1 350.409 3.009 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(F)c1 ZINC000125513409 495456429 /nfs/dbraw/zinc/45/64/29/495456429.db2.gz MOZVIWMDRYKCGT-UHFFFAOYSA-N 1 1 373.453 3.136 20 30 FGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120803896 495461082 /nfs/dbraw/zinc/46/10/82/495461082.db2.gz PHIGJAMUXWJLKM-RDTXWAMCSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120803896 495461085 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3.428 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccsc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000125762306 495495036 /nfs/dbraw/zinc/49/50/36/495495036.db2.gz MJHXPUSTSWNHEM-ZDUSSCGKSA-N 1 1 371.462 3.428 20 30 FGEDMO COc1ccc(CCC[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000125874910 495511523 /nfs/dbraw/zinc/51/15/23/495511523.db2.gz PGHSDRPGJWGIGR-NRFANRHFSA-N 1 1 363.461 3.237 20 30 FGEDMO COc1ccc(CC2CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000115539304 495514136 /nfs/dbraw/zinc/51/41/36/495514136.db2.gz ZSXBTNIFSALSHH-OAQYLSRUSA-N 1 1 363.461 3.048 20 30 FGEDMO Cc1ccccc1COc1c(C)cc(C[N@H+](C)CC(=O)NCC#N)cc1C ZINC000115562324 495517841 /nfs/dbraw/zinc/51/78/41/495517841.db2.gz QQGCHRMDEQVAAH-UHFFFAOYSA-N 1 1 365.477 3.262 20 30 FGEDMO Cc1ccccc1COc1c(C)cc(C[N@@H+](C)CC(=O)NCC#N)cc1C ZINC000115562324 495517843 /nfs/dbraw/zinc/51/78/43/495517843.db2.gz QQGCHRMDEQVAAH-UHFFFAOYSA-N 1 1 365.477 3.262 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+]Cc2ccc(COc3ccccc3)cc2)C(N)=O)cc1 ZINC000115596994 495520778 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C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000568850213 505792938 /nfs/dbraw/zinc/79/29/38/505792938.db2.gz JMIOZSSZHAWQKB-IRNNPGBSSA-N 1 1 359.473 3.441 20 30 FGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000150746551 495619730 /nfs/dbraw/zinc/61/97/30/495619730.db2.gz VDCDLPKHLMDRPA-IBGZPJMESA-N 1 1 359.514 3.371 20 30 FGEDMO CCN(C(=O)NCC#Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159086557 495654957 /nfs/dbraw/zinc/65/49/57/495654957.db2.gz FDKROQAGDNHPRY-JOCHJYFZSA-N 1 1 361.489 3.344 20 30 FGEDMO C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662647 495668623 /nfs/dbraw/zinc/66/86/23/495668623.db2.gz HGBLXMSGIUVXKE-RYRKJORJSA-N 1 1 354.498 3.128 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)c(C#N)c1C ZINC000154611472 495671356 /nfs/dbraw/zinc/67/13/56/495671356.db2.gz KOYZZJCJOQURSF-LJQANCHMSA-N 1 1 369.465 3.226 20 30 FGEDMO Cn1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(-c2ccccc2)n1 ZINC000179668097 495684333 /nfs/dbraw/zinc/68/43/33/495684333.db2.gz SALGBMLTXPDLTP-UHFFFAOYSA-N 1 1 357.461 3.281 20 30 FGEDMO CC[NH+](CC)C[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000173781936 495690376 /nfs/dbraw/zinc/69/03/76/495690376.db2.gz DVZLZNSAOFDXBY-HNNXBMFYSA-N 1 1 362.905 3.204 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000176624626 495724936 /nfs/dbraw/zinc/72/49/36/495724936.db2.gz AMUJXWOAUKUINR-CYBMUJFWSA-N 1 1 362.948 3.061 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173951140 495759878 /nfs/dbraw/zinc/75/98/78/495759878.db2.gz JGVIACBCQFVXCT-HKUYNNGSSA-N 1 1 374.504 3.267 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1C#N ZINC000159577336 495761530 /nfs/dbraw/zinc/76/15/30/495761530.db2.gz KDMLVJROQFYVFU-LPHOPBHVSA-N 1 1 372.513 3.123 20 30 FGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1(C)C ZINC000174019059 495790689 /nfs/dbraw/zinc/79/06/89/495790689.db2.gz HACMMNUOPSGLPQ-QFBILLFUSA-N 1 1 361.511 3.376 20 30 FGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCn1cc(Br)cn1 ZINC000577849429 505804618 /nfs/dbraw/zinc/80/46/18/505804618.db2.gz NZCCDOFTDXUFBD-UHFFFAOYSA-N 1 1 352.663 3.283 20 30 FGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000180058814 495840008 /nfs/dbraw/zinc/84/00/08/495840008.db2.gz PLTCLGRUZXZACJ-MRXNPFEDSA-N 1 1 352.438 3.231 20 30 FGEDMO Clc1cccc(C#CC[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000159956631 495849405 /nfs/dbraw/zinc/84/94/05/495849405.db2.gz DHXXRXSALUYNBU-UHFFFAOYSA-N 1 1 370.884 3.160 20 30 FGEDMO Clc1cccc(C#CC[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000159956631 495849410 /nfs/dbraw/zinc/84/94/10/495849410.db2.gz DHXXRXSALUYNBU-UHFFFAOYSA-N 1 1 370.884 3.160 20 30 FGEDMO C=C(C)COCCNC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000151501214 495858831 /nfs/dbraw/zinc/85/88/31/495858831.db2.gz ZJDZWDBXZVBMPA-AZUAARDMSA-N 1 1 359.514 3.446 20 30 FGEDMO COc1cccc([C@H]2[C@H](NC(=O)C3(C#N)CCCC3)CC[N@H+]2C2CC2)c1 ZINC000183245922 495896637 /nfs/dbraw/zinc/89/66/37/495896637.db2.gz NEYUXIBUVAAQQF-MOPGFXCFSA-N 1 1 353.466 3.173 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000160220436 495912973 /nfs/dbraw/zinc/91/29/73/495912973.db2.gz IDZRLERYNVYGKK-UWJYYQICSA-N 1 1 362.477 3.363 20 30 FGEDMO C[NH+](C)[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000171553109 495924284 /nfs/dbraw/zinc/92/42/84/495924284.db2.gz KDVNMXDEMKAJIR-OAQYLSRUSA-N 1 1 363.461 3.231 20 30 FGEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000160317907 495933345 /nfs/dbraw/zinc/93/33/45/495933345.db2.gz VOTNYPCJGUEPEE-GHTZIAJQSA-N 1 1 351.450 3.033 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)sc2c1CCCC2 ZINC000155376316 495938427 /nfs/dbraw/zinc/93/84/27/495938427.db2.gz CBPAAAQPOSPOBI-PBHICJAKSA-N 1 1 373.522 3.328 20 30 FGEDMO Cc1cc(C)cc([C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000183470118 495998642 /nfs/dbraw/zinc/99/86/42/495998642.db2.gz SMLFBFNTVKHLPP-IBGZPJMESA-N 1 1 368.502 3.438 20 30 FGEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000183470118 495998647 /nfs/dbraw/zinc/99/86/47/495998647.db2.gz SMLFBFNTVKHLPP-IBGZPJMESA-N 1 1 368.502 3.438 20 30 FGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174578491 496018990 /nfs/dbraw/zinc/01/89/90/496018990.db2.gz JIUYXVMXVJWPSP-FQEVSTJZSA-N 1 1 350.422 3.020 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)nc1 ZINC000174598985 496028009 /nfs/dbraw/zinc/02/80/09/496028009.db2.gz PHNHGSIXGXDHLE-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO CCOCCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180539236 496036815 /nfs/dbraw/zinc/03/68/15/496036815.db2.gz ZYXZCEKFQMENIS-LVCYWYKZSA-N 1 1 359.514 3.377 20 30 FGEDMO CCOCCC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180539236 496036820 /nfs/dbraw/zinc/03/68/20/496036820.db2.gz ZYXZCEKFQMENIS-LVCYWYKZSA-N 1 1 359.514 3.377 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](N[C@@H](C)c2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180539236 496036827 /nfs/dbraw/zinc/03/68/27/496036827.db2.gz ZYXZCEKFQMENIS-LVCYWYKZSA-N 1 1 359.514 3.377 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000180591771 496058757 /nfs/dbraw/zinc/05/87/57/496058757.db2.gz PMWMMNRKGJXVEO-ZWKOTPCHSA-N 1 1 359.514 3.451 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000180591771 496058760 /nfs/dbraw/zinc/05/87/60/496058760.db2.gz PMWMMNRKGJXVEO-ZWKOTPCHSA-N 1 1 359.514 3.451 20 30 FGEDMO CC(C)n1cc(C#N)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000160986840 496080071 /nfs/dbraw/zinc/08/00/71/496080071.db2.gz ATEQTTVFYBFIFG-KRWDZBQOSA-N 1 1 351.454 3.186 20 30 FGEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000152294595 496107010 /nfs/dbraw/zinc/10/70/10/496107010.db2.gz NEOASQKTHGJYNV-SFHVURJKSA-N 1 1 353.470 3.379 20 30 FGEDMO C[C@H]1C[C@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@H+]1C ZINC000174873723 496143694 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/nfs/dbraw/zinc/83/18/26/497831826.db2.gz TVGUQJJOPCNPNB-NVXWUHKLSA-N 1 1 355.486 3.437 20 30 FGEDMO Cc1cc(CNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc(N2CCCC2)[nH+]1 ZINC000329594888 497839639 /nfs/dbraw/zinc/83/96/39/497839639.db2.gz HZQMFVORDUKDPA-MRXNPFEDSA-N 1 1 360.502 3.340 20 30 FGEDMO Cc1c(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)nnn1-c1ccc(C)cc1 ZINC000329597466 497840276 /nfs/dbraw/zinc/84/02/76/497840276.db2.gz CMDJVIRHRNQREE-JLYLLQBASA-N 1 1 367.497 3.398 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)C[N@H+]1C1CC1 ZINC000329633079 497852389 /nfs/dbraw/zinc/85/23/89/497852389.db2.gz WZGKOKKRHHDOJA-AKKLJKOSSA-N 1 1 369.513 3.196 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292043699 497852438 /nfs/dbraw/zinc/85/24/38/497852438.db2.gz ASYMQZOKWJCUFK-JXFKEZNVSA-N 1 1 372.538 3.047 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cn(C)nc2C2CC2)C1 ZINC000329641548 497853813 /nfs/dbraw/zinc/85/38/13/497853813.db2.gz XTMHEOLGOJBDDS-CVEARBPZSA-N 1 1 359.518 3.429 20 30 FGEDMO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329647334 497856915 /nfs/dbraw/zinc/85/69/15/497856915.db2.gz JSZXXIFCRVXXRZ-NUEKZKHPSA-N 1 1 358.438 3.019 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2cc(Cl)cc3c2OCC3)C1 ZINC000329694429 497871855 /nfs/dbraw/zinc/87/18/55/497871855.db2.gz XAQOFTMKKSGSEP-ZDUSSCGKSA-N 1 1 351.878 3.010 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C[C@@H]1C ZINC000329710671 497877299 /nfs/dbraw/zinc/87/72/99/497877299.db2.gz NWOWLMGBEPSMNH-LJIGWXMPSA-N 1 1 352.523 3.239 20 30 FGEDMO C=CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000295980925 497878472 /nfs/dbraw/zinc/87/84/72/497878472.db2.gz OTASZEXASYKLFL-DOTOQJQBSA-N 1 1 373.526 3.260 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+](Cc1ccncc1)C1CC1)CCC2 ZINC000299652832 497882008 /nfs/dbraw/zinc/88/20/08/497882008.db2.gz LCTKDEJNPWRWQA-UHFFFAOYSA-N 1 1 366.490 3.497 20 30 FGEDMO 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356.470 3.496 20 30 FGEDMO N#Cc1ccccc1CSCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000578491068 505952654 /nfs/dbraw/zinc/95/26/54/505952654.db2.gz AAHYLXUDOIIXQP-IBGZPJMESA-N 1 1 367.453 3.428 20 30 FGEDMO COc1ccccc1[C@@H]1CCCN1C([O-])=[NH+]C[C@H]1CCc2nccn2C1 ZINC000329911013 497949575 /nfs/dbraw/zinc/94/95/75/497949575.db2.gz NOEBGAUKDGZYLU-WBVHZDCISA-N 1 1 354.454 3.205 20 30 FGEDMO COc1ccccc1[C@@H]1CCCN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329911013 497949578 /nfs/dbraw/zinc/94/95/78/497949578.db2.gz NOEBGAUKDGZYLU-WBVHZDCISA-N 1 1 354.454 3.205 20 30 FGEDMO COc1ccccc1[C@@H]1CCCN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329911013 497949580 /nfs/dbraw/zinc/94/95/80/497949580.db2.gz NOEBGAUKDGZYLU-WBVHZDCISA-N 1 1 354.454 3.205 20 30 FGEDMO N#Cc1ccccc1CSCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000578491069 505953027 /nfs/dbraw/zinc/95/30/27/505953027.db2.gz AAHYLXUDOIIXQP-LJQANCHMSA-N 1 1 367.453 3.428 20 30 FGEDMO CN(C)c1cccc([C@@H]2CCCN2C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000329936155 497959200 /nfs/dbraw/zinc/95/92/00/497959200.db2.gz CXGBDMXKDQTOMK-LPHOPBHVSA-N 1 1 367.497 3.263 20 30 FGEDMO O=C(C[N@@H+]1CC[C@@H](Oc2ccccn2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000330024251 497995397 /nfs/dbraw/zinc/99/53/97/497995397.db2.gz AFFJHRRIJHQILO-IGDKPHCXSA-N 1 1 355.482 3.460 20 30 FGEDMO O=C(C[N@H+]1CC[C@@H](Oc2ccccn2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000330024251 497995403 /nfs/dbraw/zinc/99/54/03/497995403.db2.gz AFFJHRRIJHQILO-IGDKPHCXSA-N 1 1 355.482 3.460 20 30 FGEDMO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC000301212316 498001877 /nfs/dbraw/zinc/00/18/77/498001877.db2.gz VTKSRELRUYZOKI-OAHLLOKOSA-N 1 1 366.421 3.358 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000285176711 498013383 /nfs/dbraw/zinc/01/33/83/498013383.db2.gz BKQPTXIJIAAAGD-CYBMUJFWSA-N 1 1 370.409 3.178 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000285176711 498013390 /nfs/dbraw/zinc/01/33/90/498013390.db2.gz 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C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000330145483 498039280 /nfs/dbraw/zinc/03/92/80/498039280.db2.gz SHGPMZZWNJDBFJ-BPQIPLTHSA-N 1 1 373.497 3.067 20 30 FGEDMO C=C(C)C[C@H](C)c1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000289169967 498044660 /nfs/dbraw/zinc/04/46/60/498044660.db2.gz VECDQISLXNXSRH-WMLDXEAASA-N 1 1 354.454 3.256 20 30 FGEDMO C=C(C)C[C@H](C)c1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000289169967 498044668 /nfs/dbraw/zinc/04/46/68/498044668.db2.gz VECDQISLXNXSRH-WMLDXEAASA-N 1 1 354.454 3.256 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000364607699 498046925 /nfs/dbraw/zinc/04/69/25/498046925.db2.gz OTVWWZLRNRJURG-CZTZKLFOSA-N 1 1 374.525 3.423 20 30 FGEDMO [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC(=Cc2ccccc2F)CC1 ZINC000330184315 498052882 /nfs/dbraw/zinc/05/28/82/498052882.db2.gz ILLCGYCHHIECJQ-KRWDZBQOSA-N 1 1 354.429 3.430 20 30 FGEDMO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330240626 498074664 /nfs/dbraw/zinc/07/46/64/498074664.db2.gz VYZADCYCACAREO-HZPDHXFCSA-N 1 1 365.836 3.168 20 30 FGEDMO O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330240626 498074669 /nfs/dbraw/zinc/07/46/69/498074669.db2.gz VYZADCYCACAREO-HZPDHXFCSA-N 1 1 365.836 3.168 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(Br)cn3)CC2)cc1 ZINC000301375752 498081878 /nfs/dbraw/zinc/08/18/78/498081878.db2.gz SCFFHYBVXRWYGE-UHFFFAOYSA-N 1 1 371.282 3.428 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000330261333 498083921 /nfs/dbraw/zinc/08/39/21/498083921.db2.gz UEXWNVFSZGADDT-GDBMZVCRSA-N 1 1 362.470 3.429 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000330261333 498083926 /nfs/dbraw/zinc/08/39/26/498083926.db2.gz UEXWNVFSZGADDT-GDBMZVCRSA-N 1 1 362.470 3.429 20 30 FGEDMO C[C@@H](NC(=O)Nc1cnc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000578598886 505977047 /nfs/dbraw/zinc/97/70/47/505977047.db2.gz CUMCBKGOBANSBW-CHWSQXEVSA-N 1 1 361.877 3.381 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000330301751 498099057 /nfs/dbraw/zinc/09/90/57/498099057.db2.gz NYNGETXNTPJVPI-UHFFFAOYSA-N 1 1 359.459 3.008 20 30 FGEDMO CC[C@@H]1CN(c2c(C#N)cnc3c(C)cc(C)cc32)CC[N@H+]1C[C@H](C)O ZINC000301445313 498113421 /nfs/dbraw/zinc/11/34/21/498113421.db2.gz ZEJOIEMRKSSJOF-FUHWJXTLSA-N 1 1 352.482 3.005 20 30 FGEDMO N#CCc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000572485861 505980792 /nfs/dbraw/zinc/98/07/92/505980792.db2.gz DPHQMRCEZSIYHP-HXUWFJFHSA-N 1 1 365.452 3.420 20 30 FGEDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C2)cc1 ZINC000330461491 498136970 /nfs/dbraw/zinc/13/69/70/498136970.db2.gz XEFBAPXFUDGIIK-SJORKVTESA-N 1 1 374.529 3.336 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(CNc3ccc(F)cc3C#N)cc2)CC1 ZINC000301505584 498140218 /nfs/dbraw/zinc/14/02/18/498140218.db2.gz GRKGBARZPGUGHI-UHFFFAOYSA-N 1 1 352.457 3.447 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000285620021 498149618 /nfs/dbraw/zinc/14/96/18/498149618.db2.gz WLOMEICQXBMGRK-YOFSQIOKSA-N 1 1 368.525 3.107 20 30 FGEDMO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000301528674 498149755 /nfs/dbraw/zinc/14/97/55/498149755.db2.gz OLNSZCWXMWKVNG-QGZVFWFLSA-N 1 1 356.445 3.323 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccnc2OCC(F)F)C[C@H]1C ZINC000330548798 498150871 /nfs/dbraw/zinc/15/08/71/498150871.db2.gz DIDSQNKAXUAXLW-CHWSQXEVSA-N 1 1 356.417 3.076 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000364859800 498177222 /nfs/dbraw/zinc/17/72/22/498177222.db2.gz ZLQZLZCOMLJDAZ-ZWKOTPCHSA-N 1 1 364.440 3.482 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000364859800 498177231 /nfs/dbraw/zinc/17/72/31/498177231.db2.gz ZLQZLZCOMLJDAZ-ZWKOTPCHSA-N 1 1 364.440 3.482 20 30 FGEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000292883707 498183259 /nfs/dbraw/zinc/18/32/59/498183259.db2.gz HYMCLSWDBMUQKL-MJGOQNOKSA-N 1 1 368.529 3.007 20 30 FGEDMO N#Cc1csc(C[NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000581458817 505992913 /nfs/dbraw/zinc/99/29/13/505992913.db2.gz NCWRMFQKTQVDNZ-UHFFFAOYSA-N 1 1 361.780 3.284 20 30 FGEDMO CCc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C#N)c1CC ZINC000301643656 498203820 /nfs/dbraw/zinc/20/38/20/498203820.db2.gz ZYXIPBXDBXJBCA-UHFFFAOYSA-N 1 1 374.492 3.057 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN4c5ccccc5C[C@H]4C3)o2)cc1 ZINC000289601351 498212005 /nfs/dbraw/zinc/21/20/05/498212005.db2.gz XVIBELVXGPABTG-IBGZPJMESA-N 1 1 371.444 3.245 20 30 FGEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000330900350 498213831 /nfs/dbraw/zinc/21/38/31/498213831.db2.gz WDTRPXVSJQKACN-VXGBXAGGSA-N 1 1 370.375 3.056 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000289608506 498215778 /nfs/dbraw/zinc/21/57/78/498215778.db2.gz LCXPKOBIQPBUHH-QGZVFWFLSA-N 1 1 355.404 3.316 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364955258 498226357 /nfs/dbraw/zinc/22/63/57/498226357.db2.gz MDKWQBXTMKIZHI-CYBMUJFWSA-N 1 1 354.479 3.391 20 30 FGEDMO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000331029588 498239568 /nfs/dbraw/zinc/23/95/68/498239568.db2.gz RVRGLMBKFSSWKB-QWHCGFSZSA-N 1 1 369.307 3.141 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2sc(C)c(C)c2C(=O)OC)[C@H](C)C1 ZINC000331051047 498243766 /nfs/dbraw/zinc/24/37/66/498243766.db2.gz ILUDJJLSCLWEIB-BXUZGUMPSA-N 1 1 367.515 3.359 20 30 FGEDMO CCOc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)cc1Cl ZINC000331106854 498253123 /nfs/dbraw/zinc/25/31/23/498253123.db2.gz ACAKFYSLCJICMQ-UKRRQHHQSA-N 1 1 369.893 3.061 20 30 FGEDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1cccc(Cl)c1 ZINC000331109692 498255182 /nfs/dbraw/zinc/25/51/82/498255182.db2.gz KLRUGYMDXDGQAM-UONOGXRCSA-N 1 1 353.894 3.092 20 30 FGEDMO CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1C(N)=O ZINC000331254569 498285983 /nfs/dbraw/zinc/28/59/83/498285983.db2.gz XEIKPONEFXIFDW-INIZCTEOSA-N 1 1 362.474 3.175 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC(n4cc(Cl)cn4)CC3)o2)cc1 ZINC000360641379 498292929 /nfs/dbraw/zinc/29/29/29/498292929.db2.gz JKKXNCWOSNQLLO-UHFFFAOYSA-N 1 1 368.828 3.295 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)N1CC(C)(C)OC(C)(C)C1)[NH+](C)C ZINC000331293837 498294944 /nfs/dbraw/zinc/29/49/44/498294944.db2.gz RBYPBWSAPVRUNQ-INIZCTEOSA-N 1 1 363.502 3.101 20 30 FGEDMO CC(C)[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCCO1 ZINC000293206800 498305109 /nfs/dbraw/zinc/30/51/09/498305109.db2.gz RAWBZFNLARPPPS-INIZCTEOSA-N 1 1 361.511 3.184 20 30 FGEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000301927140 498331564 /nfs/dbraw/zinc/33/15/64/498331564.db2.gz IBDDVDLHYFRQST-AWEZNQCLSA-N 1 1 354.385 3.489 20 30 FGEDMO N#Cc1ccc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)nn1 ZINC000301947162 498340530 /nfs/dbraw/zinc/34/05/30/498340530.db2.gz HLAVVRZYHXQOQA-UHFFFAOYSA-N 1 1 372.270 3.187 20 30 FGEDMO COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCCCC#N ZINC000289901033 498344153 /nfs/dbraw/zinc/34/41/53/498344153.db2.gz WSRYCVOULRJGKC-DFNIBXOVSA-N 1 1 357.498 3.435 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000361189797 498358188 /nfs/dbraw/zinc/35/81/88/498358188.db2.gz IZANWCPCYXBENU-WOJBJXKFSA-N 1 1 366.440 3.284 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000361189797 498358194 /nfs/dbraw/zinc/35/81/94/498358194.db2.gz IZANWCPCYXBENU-WOJBJXKFSA-N 1 1 366.440 3.284 20 30 FGEDMO N#CC1(CCC[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CCOCC1 ZINC000282068230 498378273 /nfs/dbraw/zinc/37/82/73/498378273.db2.gz SSJRPTKQAPGTFX-GOSISDBHSA-N 1 1 374.460 3.122 20 30 FGEDMO CC[N@@H+](CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)C1CC1 ZINC000289996109 498386177 /nfs/dbraw/zinc/38/61/77/498386177.db2.gz ZIDGEYVRBYRRCN-UHFFFAOYSA-N 1 1 365.437 3.351 20 30 FGEDMO N#Cc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000361515732 498402716 /nfs/dbraw/zinc/40/27/16/498402716.db2.gz KQMYZODEUIEYGE-RTWAWAEBSA-N 1 1 360.461 3.222 20 30 FGEDMO C[C@@H]1C[N@H+](C2CCN(c3ccc(Br)cc3C#N)CC2)CCO1 ZINC000302183740 498433211 /nfs/dbraw/zinc/43/32/11/498433211.db2.gz ONCBNDJPBUDIOL-CYBMUJFWSA-N 1 1 364.287 3.010 20 30 FGEDMO CC(C)c1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)no1 ZINC000365393808 498442137 /nfs/dbraw/zinc/44/21/37/498442137.db2.gz KJLPQVYZNWKKCD-UHFFFAOYSA-N 1 1 352.438 3.086 20 30 FGEDMO N#Cc1ccc(N2CCC[N@@H+](Cc3c[nH]nc3-c3cccnc3)CC2)cc1 ZINC000362389010 498508441 /nfs/dbraw/zinc/50/84/41/498508441.db2.gz KDRSTTOOWGHILQ-UHFFFAOYSA-N 1 1 358.449 3.056 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000297617956 498514196 /nfs/dbraw/zinc/51/41/96/498514196.db2.gz HBMIARSRSVQDEK-JUXOCIIHSA-N 1 1 351.494 3.487 20 30 FGEDMO C=CCN(C(=O)c1ccnn1CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365533139 498517962 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C=CCNC(=O)c1ccc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)nc1 ZINC000302783816 498573485 /nfs/dbraw/zinc/57/34/85/498573485.db2.gz LJLYJIRZGCATRL-MRXNPFEDSA-N 1 1 368.456 3.020 20 30 FGEDMO CC(=O)N1CCC([N@@H+](CCCCC#N)Cc2ccc3c(c2)CCO3)CC1 ZINC000362972799 498591750 /nfs/dbraw/zinc/59/17/50/498591750.db2.gz BCFCJKHALDJHDN-UHFFFAOYSA-N 1 1 355.482 3.128 20 30 FGEDMO N#Cc1cccc(C#N)c1NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000302841220 498597477 /nfs/dbraw/zinc/59/74/77/498597477.db2.gz LZUXHONSYLLVHT-UHFFFAOYSA-N 1 1 359.477 3.050 20 30 FGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000287055438 498608951 /nfs/dbraw/zinc/60/89/51/498608951.db2.gz IFVIGTIJZJOJPI-MRXNPFEDSA-N 1 1 364.449 3.326 20 30 FGEDMO N#CCc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000365774857 498634498 /nfs/dbraw/zinc/63/44/98/498634498.db2.gz VIDIPAQTRWJAGW-FCHUYYIVSA-N 1 1 359.473 3.347 20 30 FGEDMO N#Cc1cccc(OCCCCC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000363152145 498676020 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FGEDMO C=CCC1(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)CCOCC1 ZINC000424883214 499962991 /nfs/dbraw/zinc/96/29/91/499962991.db2.gz ZSBHVVRJYHCHGZ-LJQANCHMSA-N 1 1 356.510 3.340 20 30 FGEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H](C)C1 ZINC000428996341 499977467 /nfs/dbraw/zinc/97/74/67/499977467.db2.gz QWWGPWXUOCEKMR-HBUWYVDXSA-N 1 1 362.315 3.483 20 30 FGEDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cn(CCCC#N)c4ccccc34)[C@@H]2C1 ZINC000425066177 500010557 /nfs/dbraw/zinc/01/05/57/500010557.db2.gz NMQAGIBJYDKIJM-OXJNMPFZSA-N 1 1 350.466 3.111 20 30 FGEDMO CC[N@@H+](CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N)C1CC1 ZINC000425088451 500016348 /nfs/dbraw/zinc/01/63/48/500016348.db2.gz QEIIDVNWQLYZQU-CYBMUJFWSA-N 1 1 353.388 3.430 20 30 FGEDMO CN1CCN(CCC[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](c2ccccc2)C1 ZINC000421321613 500017123 /nfs/dbraw/zinc/01/71/23/500017123.db2.gz CBJLBQYCXZVWRJ-QFIPXVFZSA-N 1 1 366.484 3.166 20 30 FGEDMO N#Cc1ccc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1F ZINC000421336786 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JIRVUJXESZBQHB-HXUWFJFHSA-N 1 1 363.461 3.303 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425531850 500135053 /nfs/dbraw/zinc/13/50/53/500135053.db2.gz IGTYEVIUJTZXJK-CQSZACIVSA-N 1 1 352.394 3.406 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425531850 500135057 /nfs/dbraw/zinc/13/50/57/500135057.db2.gz IGTYEVIUJTZXJK-CQSZACIVSA-N 1 1 352.394 3.406 20 30 FGEDMO COc1ccccc1S(=O)(=O)CCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425534866 500136556 /nfs/dbraw/zinc/13/65/56/500136556.db2.gz MITLARHSRGTJMS-INIZCTEOSA-N 1 1 372.490 3.424 20 30 FGEDMO COc1ccccc1S(=O)(=O)CCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425534866 500136559 /nfs/dbraw/zinc/13/65/59/500136559.db2.gz MITLARHSRGTJMS-INIZCTEOSA-N 1 1 372.490 3.424 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000425547119 500141357 /nfs/dbraw/zinc/14/13/57/500141357.db2.gz HUJJKASDKBORLO-ACRUOGEOSA-N 1 1 371.525 3.179 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000426030686 500228058 /nfs/dbraw/zinc/22/80/58/500228058.db2.gz VCRFRHUJDJEYJY-QZTJIDSGSA-N 1 1 373.497 3.028 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000426030686 500228062 /nfs/dbraw/zinc/22/80/62/500228062.db2.gz VCRFRHUJDJEYJY-QZTJIDSGSA-N 1 1 373.497 3.028 20 30 FGEDMO N#Cc1cnn2cc(C[NH2+]Cc3nc4cc(Cl)ccc4s3)cnc12 ZINC000573390534 506185661 /nfs/dbraw/zinc/18/56/61/506185661.db2.gz KSTISRVBMSHCKA-UHFFFAOYSA-N 1 1 354.826 3.154 20 30 FGEDMO CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564359 506187861 /nfs/dbraw/zinc/18/78/61/506187861.db2.gz IIKSTRMTAYSITE-OAQYLSRUSA-N 1 1 374.573 3.117 20 30 FGEDMO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564359 506187883 /nfs/dbraw/zinc/18/78/83/506187883.db2.gz IIKSTRMTAYSITE-OAQYLSRUSA-N 1 1 374.573 3.117 20 30 FGEDMO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564359 506187886 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ZINC000437614899 500669336 /nfs/dbraw/zinc/66/93/36/500669336.db2.gz GORBXDUUNHEOKQ-AZUAARDMSA-N 1 1 371.525 3.104 20 30 FGEDMO CC(C)Cn1ccnc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433320326 500671861 /nfs/dbraw/zinc/67/18/61/500671861.db2.gz UCQMAPRYLHLXDN-UHFFFAOYSA-N 1 1 363.469 3.001 20 30 FGEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000447837144 500674101 /nfs/dbraw/zinc/67/41/01/500674101.db2.gz ZPRFBQIMRYPERJ-RDJZCZTQSA-N 1 1 363.889 3.212 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000437653221 500676381 /nfs/dbraw/zinc/67/63/81/500676381.db2.gz SDQOGNRMXAANBN-XDNAFOTISA-N 1 1 351.535 3.023 20 30 FGEDMO N#Cc1nc(N2CC[NH+](Cc3cccs3)CC2)ccc1C(F)(F)F ZINC000443426377 500723698 /nfs/dbraw/zinc/72/36/98/500723698.db2.gz CYGZWHFJOGOLIG-UHFFFAOYSA-N 1 1 352.385 3.356 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(Cc3cc(C#N)ccc3OC)CC2)cc1 ZINC000448145251 500723956 /nfs/dbraw/zinc/72/39/56/500723956.db2.gz BVNXRINDQKZCGJ-UHFFFAOYSA-N 1 1 365.477 3.283 20 30 FGEDMO Cn1c(C#N)ccc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000448593740 500780369 /nfs/dbraw/zinc/78/03/69/500780369.db2.gz DUDXPAZAQRFKOV-UHFFFAOYSA-N 1 1 358.445 3.008 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CC34CCSCC4)CC2)cc1 ZINC000448621097 500787709 /nfs/dbraw/zinc/78/77/09/500787709.db2.gz HUXATQBRJCLKIF-LJQANCHMSA-N 1 1 369.534 3.126 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CC34CCSCC4)CC2)cc1 ZINC000448621097 500787710 /nfs/dbraw/zinc/78/77/10/500787710.db2.gz HUXATQBRJCLKIF-LJQANCHMSA-N 1 1 369.534 3.126 20 30 FGEDMO CCC1(CC)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000438488474 500791247 /nfs/dbraw/zinc/79/12/47/500791247.db2.gz VKXIWFVUQWBJDH-UHFFFAOYSA-N 1 1 351.454 3.195 20 30 FGEDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000438488474 500791248 /nfs/dbraw/zinc/79/12/48/500791248.db2.gz VKXIWFVUQWBJDH-UHFFFAOYSA-N 1 1 351.454 3.195 20 30 FGEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000434391516 500835971 /nfs/dbraw/zinc/83/59/71/500835971.db2.gz SHJXZUCTMRTZTQ-INIZCTEOSA-N 1 1 374.448 3.161 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](OC(F)F)C1)CCC2 ZINC000611580223 506221631 /nfs/dbraw/zinc/22/16/31/506221631.db2.gz USCLKTYBHVXSII-LLVKDONJSA-N 1 1 369.437 3.141 20 30 FGEDMO C[NH+](C)CCOc1ccccc1N1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444663878 500875493 /nfs/dbraw/zinc/87/54/93/500875493.db2.gz PRYHNIXNJVVKJT-UHFFFAOYSA-N 1 1 372.557 3.469 20 30 FGEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000444701640 500882321 /nfs/dbraw/zinc/88/23/21/500882321.db2.gz HMHGTZAGIXTQHJ-ZDUSSCGKSA-N 1 1 364.287 3.140 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000434715460 500883676 /nfs/dbraw/zinc/88/36/76/500883676.db2.gz YZDNGOOSMMXXDD-LJQANCHMSA-N 1 1 353.422 3.161 20 30 FGEDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000444784435 500900364 /nfs/dbraw/zinc/90/03/64/500900364.db2.gz VQKYYSAAGOMGKZ-RDJZCZTQSA-N 1 1 353.388 3.387 20 30 FGEDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000434877940 500906305 /nfs/dbraw/zinc/90/63/05/500906305.db2.gz SUNXIWNXVXHQGH-NHYWBVRUSA-N 1 1 359.426 3.224 20 30 FGEDMO CCOC(=O)c1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)[nH]c1C ZINC000449330823 500979959 /nfs/dbraw/zinc/97/99/59/500979959.db2.gz VTVHOWKLNAPEFH-UHFFFAOYSA-N 1 1 355.438 3.020 20 30 FGEDMO Cc1cccc2c1ncc(C#N)c2NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000611617993 506229082 /nfs/dbraw/zinc/22/90/82/506229082.db2.gz QMORMUDPXDAYTA-HXUWFJFHSA-N 1 1 372.472 3.016 20 30 FGEDMO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000440507654 501017048 /nfs/dbraw/zinc/01/70/48/501017048.db2.gz UFMIFMMQMKXDEJ-HXUWFJFHSA-N 1 1 362.901 3.087 20 30 FGEDMO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000440507654 501017050 /nfs/dbraw/zinc/01/70/50/501017050.db2.gz UFMIFMMQMKXDEJ-HXUWFJFHSA-N 1 1 362.901 3.087 20 30 FGEDMO CC(=O)Nc1ccc(C[NH+]2CCC(NCc3cc(C#N)cs3)CC2)cc1 ZINC000449521919 501024042 /nfs/dbraw/zinc/02/40/42/501024042.db2.gz ICZWJGMKBVAGDX-UHFFFAOYSA-N 1 1 368.506 3.332 20 30 FGEDMO COc1cc(C[NH2+][C@@H](CCSC)c2nnc3ccccn32)ccc1C#N ZINC000440810099 501050789 /nfs/dbraw/zinc/05/07/89/501050789.db2.gz QFCWYUAFIWRLCE-INIZCTEOSA-N 1 1 367.478 3.194 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c(C#N)c1C ZINC000441018021 501075879 /nfs/dbraw/zinc/07/58/79/501075879.db2.gz FBCBLGYAHGNYPZ-FZKQIMNGSA-N 1 1 353.422 3.031 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)c(C#N)c1C ZINC000441018021 501075882 /nfs/dbraw/zinc/07/58/82/501075882.db2.gz FBCBLGYAHGNYPZ-FZKQIMNGSA-N 1 1 353.422 3.031 20 30 FGEDMO Cc1cc(C[N@@H+]2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)ccc1C#N ZINC000436256194 501096724 /nfs/dbraw/zinc/09/67/24/501096724.db2.gz YYATXWJPESYPGP-RTWAWAEBSA-N 1 1 373.456 3.016 20 30 FGEDMO Cc1cc(C[N@H+]2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)ccc1C#N ZINC000436256194 501096729 /nfs/dbraw/zinc/09/67/29/501096729.db2.gz YYATXWJPESYPGP-RTWAWAEBSA-N 1 1 373.456 3.016 20 30 FGEDMO C=CC[N@H+](CCCc1cc(CC)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000450385550 501107283 /nfs/dbraw/zinc/10/72/83/501107283.db2.gz CUWAHYMOKQASAJ-INIZCTEOSA-N 1 1 366.469 3.395 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441259030 501109894 /nfs/dbraw/zinc/10/98/94/501109894.db2.gz FEZNGKFGNMAMGK-MLGOLLRUSA-N 1 1 369.387 3.100 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441259035 501109994 /nfs/dbraw/zinc/10/99/94/501109994.db2.gz FEZNGKFGNMAMGK-WBMJQRKESA-N 1 1 369.387 3.100 20 30 FGEDMO CCC[C@@H]1CN(C(=O)c2ccc(C#N)n2C)CC[N@H+]1Cc1ccccc1 ZINC000450416856 501116845 /nfs/dbraw/zinc/11/68/45/501116845.db2.gz AXPZWOPHKMHTGA-LJQANCHMSA-N 1 1 350.466 3.023 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000449907980 501123398 /nfs/dbraw/zinc/12/33/98/501123398.db2.gz RBEOMRQMXLRLRU-KXBFYZLASA-N 1 1 350.466 3.320 20 30 FGEDMO C[N@H+]1CCN(c2ncc(Br)cc2C#N)C[C@H]1Cc1ccccc1 ZINC000450511477 501140561 /nfs/dbraw/zinc/14/05/61/501140561.db2.gz AZXAIGFUIWBTIT-QGZVFWFLSA-N 1 1 371.282 3.079 20 30 FGEDMO C=CCC1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCC1 ZINC000450522176 501144004 /nfs/dbraw/zinc/14/40/04/501144004.db2.gz WPPADCSPLPKRMS-HXUWFJFHSA-N 1 1 356.510 3.396 20 30 FGEDMO CC1CCC([N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]2CCCO2)CC1 ZINC000441468741 501144480 /nfs/dbraw/zinc/14/44/80/501144480.db2.gz UOSXAPKJGABQIH-ACBHZAAOSA-N 1 1 361.530 3.389 20 30 FGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000450142968 501192552 /nfs/dbraw/zinc/19/25/52/501192552.db2.gz CZABBBKDCMRKSB-ZDUSSCGKSA-N 1 1 364.287 3.028 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000442090214 501196409 /nfs/dbraw/zinc/19/64/09/501196409.db2.gz YYXOZYLPKSYCEY-NWDGAFQWSA-N 1 1 370.375 3.403 20 30 FGEDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442185870 501205607 /nfs/dbraw/zinc/20/56/07/501205607.db2.gz BQELODKBCLPFJV-UHFFFAOYSA-N 1 1 358.364 3.310 20 30 FGEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000450275725 501223858 /nfs/dbraw/zinc/22/38/58/501223858.db2.gz KMWJPBRGFKIHRU-IRLDBZIGSA-N 1 1 350.462 3.356 20 30 FGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1F ZINC000451014193 501239142 /nfs/dbraw/zinc/23/91/42/501239142.db2.gz CEQAYWLNYIHHIU-SFHVURJKSA-N 1 1 366.440 3.346 20 30 FGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)c1F ZINC000451014193 501239143 /nfs/dbraw/zinc/23/91/43/501239143.db2.gz CEQAYWLNYIHHIU-SFHVURJKSA-N 1 1 366.440 3.346 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451023241 501239985 /nfs/dbraw/zinc/23/99/85/501239985.db2.gz KBZBPCXARRVNKM-DKTYTTGXSA-N 1 1 366.509 3.490 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451023241 501239986 /nfs/dbraw/zinc/23/99/86/501239986.db2.gz KBZBPCXARRVNKM-DKTYTTGXSA-N 1 1 366.509 3.490 20 30 FGEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000451149928 501248439 /nfs/dbraw/zinc/24/84/39/501248439.db2.gz VEPIDPZZAMEDSD-WOSRLPQWSA-N 1 1 353.388 3.226 20 30 FGEDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000451253345 501255233 /nfs/dbraw/zinc/25/52/33/501255233.db2.gz JNQNABZNDHAHQI-APWZRJJASA-N 1 1 372.513 3.123 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455401287 501292569 /nfs/dbraw/zinc/29/25/69/501292569.db2.gz GSJKCZNJHGOWRZ-NCYKPQTJSA-N 1 1 369.509 3.026 20 30 FGEDMO C[N@@H+](CCCCNC(=O)Nc1ccc(C#N)c(Br)c1)C1CC1 ZINC000455464016 501309659 /nfs/dbraw/zinc/30/96/59/501309659.db2.gz QKNQJIPVRVCVEM-UHFFFAOYSA-N 1 1 365.275 3.317 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+]1CCSC[C@@H]1C1CC1)c1cccc(Cl)c1 ZINC000451645325 501343224 /nfs/dbraw/zinc/34/32/24/501343224.db2.gz CSCZEEYLUKEUCA-QGZVFWFLSA-N 1 1 363.914 3.414 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCSC[C@@H]1C1CC1)c1cccc(Cl)c1 ZINC000451645325 501343225 /nfs/dbraw/zinc/34/32/25/501343225.db2.gz CSCZEEYLUKEUCA-QGZVFWFLSA-N 1 1 363.914 3.414 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@H]2C1 ZINC000455773314 501383174 /nfs/dbraw/zinc/38/31/74/501383174.db2.gz PLWCXYMKSTXGAZ-PBHICJAKSA-N 1 1 356.470 3.293 20 30 FGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)n1 ZINC000602661563 506250057 /nfs/dbraw/zinc/25/00/57/506250057.db2.gz FIENXKPUVHMJNI-MRXNPFEDSA-N 1 1 350.470 3.499 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451894211 501394858 /nfs/dbraw/zinc/39/48/58/501394858.db2.gz CRAONULHFDKYIG-JXFKEZNVSA-N 1 1 373.522 3.379 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451894211 501394860 /nfs/dbraw/zinc/39/48/60/501394860.db2.gz CRAONULHFDKYIG-JXFKEZNVSA-N 1 1 373.522 3.379 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451904354 501397191 /nfs/dbraw/zinc/39/71/91/501397191.db2.gz RLCWDQWDPHYPRI-OAQYLSRUSA-N 1 1 355.482 3.053 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@]4(CCSC4)C3)C2=O)cc1 ZINC000451977324 501412128 /nfs/dbraw/zinc/41/21/28/501412128.db2.gz NGEWUVDPQDICDR-UYAOXDASSA-N 1 1 355.507 3.273 20 30 FGEDMO C[C@@H]1CN(C(=O)c2cccc(F)c2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000456333394 501501062 /nfs/dbraw/zinc/50/10/62/501501062.db2.gz LLMXSDPTDBQCPF-INIZCTEOSA-N 1 1 351.425 3.291 20 30 FGEDMO COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](Oc3ccc(C#N)cn3)C1)CC2 ZINC000602673493 506256743 /nfs/dbraw/zinc/25/67/43/506256743.db2.gz UWKAZEXPYNJSOD-SJLPKXTDSA-N 1 1 365.433 3.111 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000452926299 501587739 /nfs/dbraw/zinc/58/77/39/501587739.db2.gz QTLVXIWCOISNSX-RTWAWAEBSA-N 1 1 350.462 3.149 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1F ZINC000456826913 501606692 /nfs/dbraw/zinc/60/66/92/501606692.db2.gz CNGABTGZUKFHCC-GOSISDBHSA-N 1 1 369.415 3.365 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000459373136 501641803 /nfs/dbraw/zinc/64/18/03/501641803.db2.gz MTUADOLCFOYCLY-LJQANCHMSA-N 1 1 371.824 3.299 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000459373136 501641806 /nfs/dbraw/zinc/64/18/06/501641806.db2.gz MTUADOLCFOYCLY-LJQANCHMSA-N 1 1 371.824 3.299 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454896804 501651448 /nfs/dbraw/zinc/65/14/48/501651448.db2.gz JAZFLCUBLMXBOO-NRSPTQNISA-N 1 1 371.525 3.131 20 30 FGEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000459474086 501659952 /nfs/dbraw/zinc/65/99/52/501659952.db2.gz YMQABTFKTRNEIB-JGGQBBKZSA-N 1 1 364.287 3.078 20 30 FGEDMO CC#CCN(C)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455004830 501670237 /nfs/dbraw/zinc/67/02/37/501670237.db2.gz SPEMZRAOBPXMOA-IBGZPJMESA-N 1 1 365.481 3.126 20 30 FGEDMO CCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CC[N@@H+](C)C1 ZINC000592830163 506269390 /nfs/dbraw/zinc/26/93/90/506269390.db2.gz CONBSGUPVPJDEM-QGZVFWFLSA-N 1 1 367.449 3.287 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000477578866 501729092 /nfs/dbraw/zinc/72/90/92/501729092.db2.gz XFQOARVOJPLEGN-UHFFFAOYSA-N 1 1 365.477 3.279 20 30 FGEDMO Cc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596130037 506271498 /nfs/dbraw/zinc/27/14/98/506271498.db2.gz USMALQQKOIULHZ-HNNXBMFYSA-N 1 1 351.410 3.053 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000602716128 506272011 /nfs/dbraw/zinc/27/20/11/506272011.db2.gz UAQVFPRHPAJKOF-NRFANRHFSA-N 1 1 373.460 3.145 20 30 FGEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000460396548 501813924 /nfs/dbraw/zinc/81/39/24/501813924.db2.gz YZQZBUNFKMCTEH-JKSUJKDBSA-N 1 1 359.543 3.425 20 30 FGEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(C#N)cc1F ZINC000477920394 501829104 /nfs/dbraw/zinc/82/91/04/501829104.db2.gz 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CCc1nnc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c(C#N)c1CC ZINC000467743372 501858376 /nfs/dbraw/zinc/85/83/76/501858376.db2.gz ZGMGUIFNLTXBQP-FLIBITNWSA-N 1 1 361.493 3.308 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470969858 501876318 /nfs/dbraw/zinc/87/63/18/501876318.db2.gz VDXOAXUZHZDHTJ-GOEBONIOSA-N 1 1 374.916 3.202 20 30 FGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000485696293 501904202 /nfs/dbraw/zinc/90/42/02/501904202.db2.gz UKCUSEIAYYCAMZ-WMLDXEAASA-N 1 1 350.422 3.190 20 30 FGEDMO C=C(C)Cn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000460780413 501919863 /nfs/dbraw/zinc/91/98/63/501919863.db2.gz RFTUFTSCELRSQA-SFHVURJKSA-N 1 1 369.488 3.257 20 30 FGEDMO Cc1cccc2[nH]c(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)nc21 ZINC000478250046 501922071 /nfs/dbraw/zinc/92/20/71/501922071.db2.gz ICWWPFWUCVXSNB-UHFFFAOYSA-N 1 1 356.433 3.433 20 30 FGEDMO Cc1cccc2nc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)[nH]c21 ZINC000478250046 501922081 /nfs/dbraw/zinc/92/20/81/501922081.db2.gz ICWWPFWUCVXSNB-UHFFFAOYSA-N 1 1 356.433 3.433 20 30 FGEDMO N#CCCN1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000602747570 506283692 /nfs/dbraw/zinc/28/36/92/506283692.db2.gz BKLXUHAXNYVNAO-UHFFFAOYSA-N 1 1 364.497 3.091 20 30 FGEDMO C[C@@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000471244156 501965839 /nfs/dbraw/zinc/96/58/39/501965839.db2.gz LXORMIXFQGPZNI-YLJYHZDGSA-N 1 1 362.477 3.441 20 30 FGEDMO C[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@H+]1CCC[C@H](C)C1 ZINC000468251994 502006228 /nfs/dbraw/zinc/00/62/28/502006228.db2.gz LNBYHIRQHDRCNO-GJZGRUSLSA-N 1 1 352.438 3.063 20 30 FGEDMO C=CC[N@@H+](C[C@@H](O)C1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000475045407 502034334 /nfs/dbraw/zinc/03/43/34/502034334.db2.gz FDEFLDILKWBGOU-OXQOHEQNSA-N 1 1 355.486 3.153 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461258282 502053411 /nfs/dbraw/zinc/05/34/11/502053411.db2.gz BDMCWGQWEIEULM-ICSRJNTNSA-N 1 1 357.498 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OWJLALXCEBOWFU-WMZOPIPTSA-N 1 1 358.392 3.118 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000486862652 502287329 /nfs/dbraw/zinc/28/73/29/502287329.db2.gz OWJLALXCEBOWFU-WMZOPIPTSA-N 1 1 358.392 3.118 20 30 FGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000472317115 502312021 /nfs/dbraw/zinc/31/20/21/502312021.db2.gz VXGZEYXWDJIUMU-DUXKGJEZSA-N 1 1 350.462 3.251 20 30 FGEDMO CC1(C)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483206387 502313459 /nfs/dbraw/zinc/31/34/59/502313459.db2.gz UQDKBYATCIFVIY-SFHVURJKSA-N 1 1 353.384 3.327 20 30 FGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@]2(CCOC2)O1 ZINC000483206387 502313465 /nfs/dbraw/zinc/31/34/65/502313465.db2.gz UQDKBYATCIFVIY-SFHVURJKSA-N 1 1 353.384 3.327 20 30 FGEDMO CC(C)(C#N)CCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000472449371 502355699 /nfs/dbraw/zinc/35/56/99/502355699.db2.gz JHVKYAKJKJAHGE-UHFFFAOYSA-N 1 1 363.889 3.193 20 30 FGEDMO C=CCN(CCOC)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000479730156 502359340 /nfs/dbraw/zinc/35/93/40/502359340.db2.gz OPEXEZUFUAUQHW-ICSRJNTNSA-N 1 1 359.514 3.131 20 30 FGEDMO C[C@H](CCC1CC1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000469430932 502414773 /nfs/dbraw/zinc/41/47/73/502414773.db2.gz YBPXRDTZOHOYDF-QGZVFWFLSA-N 1 1 354.498 3.354 20 30 FGEDMO COc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000476264831 502435651 /nfs/dbraw/zinc/43/56/51/502435651.db2.gz UKNDZCBKHXFQNB-WOJBJXKFSA-N 1 1 366.461 3.014 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483633641 502448771 /nfs/dbraw/zinc/44/87/71/502448771.db2.gz BTTPYKGEBXENLV-SWLSCSKDSA-N 1 1 369.387 3.100 20 30 FGEDMO C[N@@H+](CCCNC(=O)C(C)(C)Oc1ccc(C#N)cc1)C1CCCCC1 ZINC000480118427 502478095 /nfs/dbraw/zinc/47/80/95/502478095.db2.gz LZKLJQWKJYQNPQ-UHFFFAOYSA-N 1 1 357.498 3.486 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000462789083 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COc1cc(C#N)ccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000547416257 504096960 /nfs/dbraw/zinc/09/69/60/504096960.db2.gz LKDIMSVBYFIVFB-UHFFFAOYSA-N 1 1 370.478 3.021 20 30 FGEDMO Cc1nc(-c2ccccc2C)sc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000547521355 504136657 /nfs/dbraw/zinc/13/66/57/504136657.db2.gz DCZOQRUPHFVMTK-UHFFFAOYSA-N 1 1 354.479 3.145 20 30 FGEDMO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1OCC(=O)N1CCCC1 ZINC000538150366 504146937 /nfs/dbraw/zinc/14/69/37/504146937.db2.gz IZQXUDGADPKTSZ-IEBWSBKVSA-N 1 1 368.481 3.172 20 30 FGEDMO COC(=O)c1cccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c1C#N ZINC000534469676 504150426 /nfs/dbraw/zinc/15/04/26/504150426.db2.gz LNFMVCXLRBOVSP-NRFANRHFSA-N 1 1 364.445 3.217 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)c1C#N ZINC000534469676 504150429 /nfs/dbraw/zinc/15/04/29/504150429.db2.gz LNFMVCXLRBOVSP-NRFANRHFSA-N 1 1 364.445 3.217 20 30 FGEDMO Cc1ccccc1[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)[C@H](C)CO1 ZINC000528388808 504201600 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350.397 3.189 20 30 FGEDMO COc1ccccc1[C@@H](CO)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000542913983 504654825 /nfs/dbraw/zinc/65/48/25/504654825.db2.gz MLQYZWVRVFIOLA-QGZVFWFLSA-N 1 1 365.351 3.269 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000546002603 504670659 /nfs/dbraw/zinc/67/06/59/504670659.db2.gz MDNPKFBZKAMISS-HNAYVOBHSA-N 1 1 364.449 3.209 20 30 FGEDMO CCC(CC)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000532528438 504683276 /nfs/dbraw/zinc/68/32/76/504683276.db2.gz UAAXVPQTRBZOBC-UHFFFAOYSA-N 1 1 351.454 3.335 20 30 FGEDMO CC[C@@H]1CN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000546103469 504710150 /nfs/dbraw/zinc/71/01/50/504710150.db2.gz BXNGIQYOGGHDFU-CZTZKLFOSA-N 1 1 370.541 3.026 20 30 FGEDMO C=CCOCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000521325851 504710930 /nfs/dbraw/zinc/71/09/30/504710930.db2.gz VVYPHMZXWXHJDN-UHFFFAOYSA-N 1 1 357.281 3.277 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 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/nfs/dbraw/zinc/80/47/30/504804730.db2.gz WNLJFPUMAAFMPC-DLBZAZTESA-N 1 1 362.424 3.092 20 30 FGEDMO N#Cc1c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1-n1cccn1 ZINC000565223158 504828757 /nfs/dbraw/zinc/82/87/57/504828757.db2.gz UAUVZAPTPXTBPM-IBGZPJMESA-N 1 1 373.460 3.057 20 30 FGEDMO N#Cc1c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1-n1cccn1 ZINC000565223158 504828760 /nfs/dbraw/zinc/82/87/60/504828760.db2.gz UAUVZAPTPXTBPM-IBGZPJMESA-N 1 1 373.460 3.057 20 30 FGEDMO Cn1cc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC23CCOCC3)cn1 ZINC000556289737 504837560 /nfs/dbraw/zinc/83/75/60/504837560.db2.gz BBCNOUFDBMGJFX-GOSISDBHSA-N 1 1 370.884 3.341 20 30 FGEDMO COc1nc2ccccc2cc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000565341799 504859037 /nfs/dbraw/zinc/85/90/37/504859037.db2.gz RSDHCYOFYPXWQS-SFHVURJKSA-N 1 1 360.417 3.163 20 30 FGEDMO COc1cc2c(cc1Cl)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2 ZINC000559450956 504866161 /nfs/dbraw/zinc/86/61/61/504866161.db2.gz MCFQMBQVOHTVBN-QGZVFWFLSA-N 1 1 372.852 3.018 20 30 FGEDMO COc1cc2c(cc1Cl)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2 ZINC000559450956 504866163 /nfs/dbraw/zinc/86/61/63/504866163.db2.gz MCFQMBQVOHTVBN-QGZVFWFLSA-N 1 1 372.852 3.018 20 30 FGEDMO COc1ccc2c(c1)CCC[N@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000556686224 504940643 /nfs/dbraw/zinc/94/06/43/504940643.db2.gz NMUNTJDOYYVKRM-NRFANRHFSA-N 1 1 361.445 3.121 20 30 FGEDMO COc1ccc2c(c1)CCC[N@@H+]([C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000556686224 504940648 /nfs/dbraw/zinc/94/06/48/504940648.db2.gz NMUNTJDOYYVKRM-NRFANRHFSA-N 1 1 361.445 3.121 20 30 FGEDMO C[C@H](CCNC(=O)c1cc(C#N)cc(N(C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000560135693 505000604 /nfs/dbraw/zinc/00/06/04/505000604.db2.gz XASNCWQSNXMGAA-QGZVFWFLSA-N 1 1 364.493 3.265 20 30 FGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccc(C#N)n1 ZINC000563098629 505047613 /nfs/dbraw/zinc/04/76/13/505047613.db2.gz KWFMVVIFUXRAJR-SFHVURJKSA-N 1 1 351.454 3.231 20 30 FGEDMO COc1cc(C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)ccc1C#N ZINC000563149047 505060753 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N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[C@H]3C3CCCC3)CC2)cc1 ZINC000593393801 506596193 /nfs/dbraw/zinc/59/61/93/506596193.db2.gz HZZRPDONJXMTFX-SFTDATJTSA-N 1 1 351.494 3.419 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@H]3C3CCCC3)CC2)cc1 ZINC000593393801 506596200 /nfs/dbraw/zinc/59/62/00/506596200.db2.gz HZZRPDONJXMTFX-SFTDATJTSA-N 1 1 351.494 3.419 20 30 FGEDMO CN(C(=O)NCC1(C#N)CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000593430716 506614852 /nfs/dbraw/zinc/61/48/52/506614852.db2.gz RIALNAYXNKXGGI-LJQANCHMSA-N 1 1 354.498 3.376 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1(C#N)CCCC1 ZINC000593428111 506615902 /nfs/dbraw/zinc/61/59/02/506615902.db2.gz XSNLTGUYQKUWHC-LJQANCHMSA-N 1 1 354.498 3.234 20 30 FGEDMO N#Cc1nc(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1Cl ZINC000593496630 506653103 /nfs/dbraw/zinc/65/31/03/506653103.db2.gz UQEBQXPMCXLSGV-RBUKOAKNSA-N 1 1 368.868 3.086 20 30 FGEDMO C[N@H+]1CCN(c2ncc(Br)cc2C#N)[C@H](Cc2ccccc2)C1 ZINC000593505604 506658347 /nfs/dbraw/zinc/65/83/47/506658347.db2.gz YDMUFSPGRAAVES-QGZVFWFLSA-N 1 1 371.282 3.079 20 30 FGEDMO C[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)[N@H+]1CCCC[C@@H]1C ZINC000593528958 506672224 /nfs/dbraw/zinc/67/22/24/506672224.db2.gz STZMAFFYQZCLKG-HOTGVXAUSA-N 1 1 363.527 3.029 20 30 FGEDMO C[C@H](C#N)CN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596912349 506673144 /nfs/dbraw/zinc/67/31/44/506673144.db2.gz FPJLCBMRPISZMT-MJGOQNOKSA-N 1 1 354.498 3.090 20 30 FGEDMO COC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1C#N ZINC000590024790 506707855 /nfs/dbraw/zinc/70/78/55/506707855.db2.gz HRKSAGMZHREVJR-XIKOKIGWSA-N 1 1 356.447 3.198 20 30 FGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609046730 506767416 /nfs/dbraw/zinc/76/74/16/506767416.db2.gz VJKKUBIKJPTEFQ-NQIIRXRSSA-N 1 1 366.461 3.338 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000609133291 506786764 /nfs/dbraw/zinc/78/67/64/506786764.db2.gz GYEQOCCLUDJREQ-KRWDZBQOSA-N 1 1 363.461 3.128 20 30 FGEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1 ZINC000609167281 506801576 /nfs/dbraw/zinc/80/15/76/506801576.db2.gz QUHBRSPPTASECE-UHFFFAOYSA-N 1 1 352.482 3.357 20 30 FGEDMO Cn1cc(C[NH+]2CCN(c3ccsc3C#N)CC2)c(-c2cccs2)n1 ZINC000597182519 506821030 /nfs/dbraw/zinc/82/10/30/506821030.db2.gz CYGXJJIMPXRIKN-UHFFFAOYSA-N 1 1 369.519 3.404 20 30 FGEDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000590447059 506826520 /nfs/dbraw/zinc/82/65/20/506826520.db2.gz YANFYQWKSSAUTO-IEBWSBKVSA-N 1 1 363.486 3.486 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000604434971 506830597 /nfs/dbraw/zinc/83/05/97/506830597.db2.gz AUJJEBGMKGOWKL-OAHLLOKOSA-N 1 1 351.450 3.377 20 30 FGEDMO COCC[N@H+]1CCC[C@@H](Nc2cc(C)c(C#N)c3nc4ccccc4n32)C1 ZINC000609269380 506831169 /nfs/dbraw/zinc/83/11/69/506831169.db2.gz ZWXHIOIRWMTMOJ-MRXNPFEDSA-N 1 1 363.465 3.190 20 30 FGEDMO COC(=O)[C@H](C[C@H]1CCCOC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000600204333 506843081 /nfs/dbraw/zinc/84/30/81/506843081.db2.gz AEZGDGTYGDWOHI-QIYGCADZSA-N 1 1 370.493 3.338 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000593955650 506847957 /nfs/dbraw/zinc/84/79/57/506847957.db2.gz RYPMYUUMRYDKKL-LJQANCHMSA-N 1 1 361.489 3.124 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000593960058 506851398 /nfs/dbraw/zinc/85/13/98/506851398.db2.gz KSWRZVZALHOUGO-SFHVURJKSA-N 1 1 361.489 3.301 20 30 FGEDMO COc1ccc(C(C)C)cc1C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000593993293 506870395 /nfs/dbraw/zinc/87/03/95/506870395.db2.gz XCTYCYPZHFRSIU-UHFFFAOYSA-N 1 1 350.466 3.407 20 30 FGEDMO C[C@H](NC(=O)CC1(C#N)CCCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000597286923 506878381 /nfs/dbraw/zinc/87/83/81/506878381.db2.gz MXCXBKADGUXVTE-ICSRJNTNSA-N 1 1 369.509 3.256 20 30 FGEDMO C[C@H](NC(=O)CC1(C#N)CCCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000597286923 506878390 /nfs/dbraw/zinc/87/83/90/506878390.db2.gz MXCXBKADGUXVTE-ICSRJNTNSA-N 1 1 369.509 3.256 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594013118 506883086 /nfs/dbraw/zinc/88/30/86/506883086.db2.gz RJDBMNIHQQEKGU-XMSQKQJNSA-N 1 1 361.489 3.375 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1CO ZINC000594017413 506885141 /nfs/dbraw/zinc/88/51/41/506885141.db2.gz ZBKSWGGHKGNRMM-HOTGVXAUSA-N 1 1 361.511 3.256 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCCC[C@H]1CO ZINC000594017413 506885150 /nfs/dbraw/zinc/88/51/50/506885150.db2.gz ZBKSWGGHKGNRMM-HOTGVXAUSA-N 1 1 361.511 3.256 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026193 506892186 /nfs/dbraw/zinc/89/21/86/506892186.db2.gz FMSIJUSQDWEPKL-PXNSSMCTSA-N 1 1 355.482 3.355 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026193 506892194 /nfs/dbraw/zinc/89/21/94/506892194.db2.gz FMSIJUSQDWEPKL-PXNSSMCTSA-N 1 1 355.482 3.355 20 30 FGEDMO N#Cc1ccc(C2([NH2+]Cc3ccc(OCC(F)(F)F)nn3)CCC2)cc1 ZINC000594034934 506898062 /nfs/dbraw/zinc/89/80/62/506898062.db2.gz GNYLQYKVKIJOPL-UHFFFAOYSA-N 1 1 362.355 3.458 20 30 FGEDMO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594066218 506917628 /nfs/dbraw/zinc/91/76/28/506917628.db2.gz JLCXXNYMQUHRQU-DZGCQCFKSA-N 1 1 364.396 3.298 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000597371696 506918192 /nfs/dbraw/zinc/91/81/92/506918192.db2.gz JUJMQDGLTMECPK-XJKSGUPXSA-N 1 1 355.388 3.229 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000590762333 506942891 /nfs/dbraw/zinc/94/28/91/506942891.db2.gz UDSMQHJSYCSYJX-FXAWDEMLSA-N 1 1 352.434 3.313 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000590762333 506942897 /nfs/dbraw/zinc/94/28/97/506942897.db2.gz UDSMQHJSYCSYJX-FXAWDEMLSA-N 1 1 352.434 3.313 20 30 FGEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000590803412 506968332 /nfs/dbraw/zinc/96/83/32/506968332.db2.gz FCDNWZGQHCEBEU-KRWDZBQOSA-N 1 1 365.437 3.303 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597516275 506987575 /nfs/dbraw/zinc/98/75/75/506987575.db2.gz FVESPKMGSGCKIP-ORAYPTAESA-N 1 1 355.388 3.087 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800886 507007344 /nfs/dbraw/zinc/00/73/44/507007344.db2.gz USMBOXCJRXYGHK-UYAOXDASSA-N 1 1 354.475 3.088 20 30 FGEDMO N#Cc1cc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c(Cl)c1 ZINC000597579044 507017080 /nfs/dbraw/zinc/01/70/80/507017080.db2.gz LQCMPBVQRSCREU-KBPBESRZSA-N 1 1 356.228 3.123 20 30 FGEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000594231822 507027450 /nfs/dbraw/zinc/02/74/50/507027450.db2.gz BNVIAESHXUCTQM-HXUWFJFHSA-N 1 1 360.461 3.423 20 30 FGEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000594231822 507027451 /nfs/dbraw/zinc/02/74/51/507027451.db2.gz BNVIAESHXUCTQM-HXUWFJFHSA-N 1 1 360.461 3.423 20 30 FGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594283398 507062200 /nfs/dbraw/zinc/06/22/00/507062200.db2.gz HVANVPMVYMOGFD-PMACEKPBSA-N 1 1 354.498 3.495 20 30 FGEDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000609987374 507063117 /nfs/dbraw/zinc/06/31/17/507063117.db2.gz ABRBQKCRLDYNNB-IBGZPJMESA-N 1 1 362.433 3.233 20 30 FGEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000609987374 507063123 /nfs/dbraw/zinc/06/31/23/507063123.db2.gz ABRBQKCRLDYNNB-IBGZPJMESA-N 1 1 362.433 3.233 20 30 FGEDMO N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000594284477 507063716 /nfs/dbraw/zinc/06/37/16/507063716.db2.gz YWAXACSYEHUKRY-SFTDATJTSA-N 1 1 364.493 3.374 20 30 FGEDMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccnc(C#N)c1)C(C)C ZINC000591048610 507092809 /nfs/dbraw/zinc/09/28/09/507092809.db2.gz NKSGCDHTLOPKCB-SFHVURJKSA-N 1 1 371.506 3.325 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000610134111 507112440 /nfs/dbraw/zinc/11/24/40/507112440.db2.gz GHFCBNBURQKDAT-RBUKOAKNSA-N 1 1 357.498 3.090 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)N3Cc4ccc(C#N)cc4C3)CC2)cs1 ZINC000594404452 507116407 /nfs/dbraw/zinc/11/64/07/507116407.db2.gz GNNDKHUNSYFWTG-UHFFFAOYSA-N 1 1 366.490 3.078 20 30 FGEDMO C=CC1CC[NH+]([C@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)CC1 ZINC000600796245 507127867 /nfs/dbraw/zinc/12/78/67/507127867.db2.gz LDQNCJYBVZWDBK-INIZCTEOSA-N 1 1 362.857 3.187 20 30 FGEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC000610215669 507142272 /nfs/dbraw/zinc/14/22/72/507142272.db2.gz NNGRCWQESITEKI-IBGZPJMESA-N 1 1 363.461 3.460 20 30 FGEDMO CC(C)(C#N)c1ccc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000594498977 507155947 /nfs/dbraw/zinc/15/59/47/507155947.db2.gz WLUXJQDWJMKEDP-SFTDATJTSA-N 1 1 355.526 3.345 20 30 FGEDMO N#Cc1ccc(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000597893063 507159267 /nfs/dbraw/zinc/15/92/67/507159267.db2.gz NHWOLDRSKICRBK-NRFANRHFSA-N 1 1 365.452 3.411 20 30 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/nfs/dbraw/zinc/68/73/40/507687340.db2.gz NGJNXQIWVKSSMU-UHFFFAOYSA-N 1 1 361.449 3.441 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595827621 507703095 /nfs/dbraw/zinc/70/30/95/507703095.db2.gz CJOCYVVJNUINBQ-KFWWJZLASA-N 1 1 373.522 3.184 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595827621 507703101 /nfs/dbraw/zinc/70/31/01/507703101.db2.gz CJOCYVVJNUINBQ-KFWWJZLASA-N 1 1 373.522 3.184 20 30 FGEDMO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1C[C@H](C)CCC#N ZINC000602435464 507711780 /nfs/dbraw/zinc/71/17/80/507711780.db2.gz UDNMSJXBOJQHOW-PBHICJAKSA-N 1 1 360.454 3.106 20 30 FGEDMO CC[NH+](CC)CC1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000611515352 507716512 /nfs/dbraw/zinc/71/65/12/507716512.db2.gz NOTBAXBBYAYUQU-OAQYLSRUSA-N 1 1 368.525 3.107 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)C2=O)cc1 ZINC000611517022 507717090 /nfs/dbraw/zinc/71/70/90/507717090.db2.gz GDXXPFYHJYNBAY-DYXWJJEUSA-N 1 1 367.493 3.192 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)n1 ZINC000602477330 507720927 /nfs/dbraw/zinc/72/09/27/507720927.db2.gz JSDNJISJTYRDII-UHFFFAOYSA-N 1 1 374.488 3.356 20 30 FGEDMO C[N@@H+](C[C@H]1CCc2ccccc21)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000595876687 507723413 /nfs/dbraw/zinc/72/34/13/507723413.db2.gz FNUBYQHCEWFJNS-SJLPKXTDSA-N 1 1 351.475 3.387 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc3ccccc3n2CC#N)C1 ZINC000587991268 507725618 /nfs/dbraw/zinc/72/56/18/507725618.db2.gz QCPSWNXZSVPHOF-UHFFFAOYSA-N 1 1 358.445 3.121 20 30 FGEDMO N#Cc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(C(F)(F)F)c1 ZINC000595894755 507731906 /nfs/dbraw/zinc/73/19/06/507731906.db2.gz YZROQCBZTCUWDG-FUHWJXTLSA-N 1 1 367.415 3.295 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907633 507737245 /nfs/dbraw/zinc/73/72/45/507737245.db2.gz BZQOFWNXGXTGRU-YUXAGFNASA-N 1 1 367.493 3.214 20 30 FGEDMO Cc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)s1 ZINC000611559935 507739133 /nfs/dbraw/zinc/73/91/33/507739133.db2.gz PVKXOTZXABZGIC-SJKOYZFVSA-N 1 1 354.479 3.478 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)s1 ZINC000595913702 507741374 /nfs/dbraw/zinc/74/13/74/507741374.db2.gz JGDYCLRJJOOANV-CYBMUJFWSA-N 1 1 359.426 3.320 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)s1 ZINC000595913702 507741376 /nfs/dbraw/zinc/74/13/76/507741376.db2.gz JGDYCLRJJOOANV-CYBMUJFWSA-N 1 1 359.426 3.320 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3OC)C2)s1 ZINC000595918672 507744060 /nfs/dbraw/zinc/74/40/60/507744060.db2.gz KFCSZPZVPPVUKX-AWEZNQCLSA-N 1 1 371.462 3.190 20 30 FGEDMO C=CCSc1ccccc1C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000615085990 507745231 /nfs/dbraw/zinc/74/52/31/507745231.db2.gz ITSHXRVASMVBSX-INIZCTEOSA-N 1 1 360.523 3.290 20 30 FGEDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(C#N)cnc2ccc(Cl)cc21 ZINC000588070191 507751618 /nfs/dbraw/zinc/75/16/18/507751618.db2.gz MAPNFPPLQZSFGQ-XJKSGUPXSA-N 1 1 356.857 3.059 20 30 FGEDMO Cc1cc(C)c2ncc(C#N)c(N3C[C@@H]([NH+]4CCOCC4)C[C@H]3C)c2c1 ZINC000588070224 507751899 /nfs/dbraw/zinc/75/18/99/507751899.db2.gz SFSJDYUAHGYUJB-AEFFLSMTSA-N 1 1 350.466 3.023 20 30 FGEDMO C=CCN(Cc1cccs1)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1CC ZINC000669132514 568126208 /nfs/dbraw/zinc/12/62/08/568126208.db2.gz HDADGIJDZHXQKR-WBVHZDCISA-N 1 1 373.526 3.088 20 30 FGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000820892605 599640172 /nfs/dbraw/zinc/64/01/72/599640172.db2.gz CMEDQQFWSIIMKZ-UHFFFAOYSA-N 1 1 351.458 3.271 20 30 FGEDMO N#Cc1ccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000739106868 600571946 /nfs/dbraw/zinc/57/19/46/600571946.db2.gz UKNXMJMUMODALR-ICSRJNTNSA-N 1 1 355.482 3.272 20 30 FGEDMO C=CC[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)Cc1cccc(C#N)c1 ZINC000819744076 606888652 /nfs/dbraw/zinc/88/86/52/606888652.db2.gz VOAOOEZDOMRYPJ-UHFFFAOYSA-N 1 1 374.448 3.195 20 30 FGEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821220448 606963828 /nfs/dbraw/zinc/96/38/28/606963828.db2.gz AIKIAQBBRVCAND-ZDUSSCGKSA-N 1 1 350.401 3.461 20 30 FGEDMO C=CC[N@H+](CCC(=O)c1ccc(F)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903647 608646909 /nfs/dbraw/zinc/64/69/09/608646909.db2.gz GGKSJRUMIYMKKC-UHFFFAOYSA-N 1 1 365.412 3.267 20 30 FGEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000090117758 700400809 /nfs/dbraw/zinc/40/08/09/700400809.db2.gz MICCGZKHQNSNKK-LLVKDONJSA-N 1 1 350.390 3.091 20 30 FGEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000092068930 700431195 /nfs/dbraw/zinc/43/11/95/700431195.db2.gz RSHRDZCDEPPHSM-GFCCVEGCSA-N 1 1 352.360 3.362 20 30 FGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000092068930 700431198 /nfs/dbraw/zinc/43/11/98/700431198.db2.gz RSHRDZCDEPPHSM-GFCCVEGCSA-N 1 1 352.360 3.362 20 30 FGEDMO Cc1nc(N2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)sc1C ZINC000093688887 700453287 /nfs/dbraw/zinc/45/32/87/700453287.db2.gz PHHHORSSFIHRRO-CQSZACIVSA-N 1 1 356.495 3.373 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000189872293 712802886 /nfs/dbraw/zinc/80/28/86/712802886.db2.gz MQQGDFBEDCFAIM-SFHVURJKSA-N 1 1 359.495 3.153 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000189872293 712802887 /nfs/dbraw/zinc/80/28/87/712802887.db2.gz MQQGDFBEDCFAIM-SFHVURJKSA-N 1 1 359.495 3.153 20 30 FGEDMO C=CC[NH+]1CCC(NCC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000236756539 713583639 /nfs/dbraw/zinc/58/36/39/713583639.db2.gz BIVCAUFCSBDYNX-UHFFFAOYSA-N 1 1 363.299 3.465 20 30 FGEDMO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Cl)sc1Cl ZINC000255343128 713692306 /nfs/dbraw/zinc/69/23/06/713692306.db2.gz VRZXPTSSDQKVKR-AQUFRFDZSA-N 1 1 360.266 3.232 20 30 FGEDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000328712899 713825510 /nfs/dbraw/zinc/82/55/10/713825510.db2.gz CNEMKQCNAGLKEQ-GFCCVEGCSA-N 1 1 357.435 3.080 20 30 FGEDMO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000523911245 714258505 /nfs/dbraw/zinc/25/85/05/714258505.db2.gz ZDZYNLUBSWQXLT-OAHLLOKOSA-N 1 1 369.918 3.145 20 30 FGEDMO CCn1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000616785212 714598605 /nfs/dbraw/zinc/59/86/05/714598605.db2.gz BYKFKTDVPMZGJO-UHFFFAOYSA-N 1 1 356.495 3.390 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617865471 714697963 /nfs/dbraw/zinc/69/79/63/714697963.db2.gz HNLAMRDVLSLFMK-ZBFHGGJFSA-N 1 1 357.479 3.420 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC12CCOCC2 ZINC000618316840 714734018 /nfs/dbraw/zinc/73/40/18/714734018.db2.gz IHKPHHZFJXKAIH-OAHLLOKOSA-N 1 1 359.495 3.132 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC12CCOCC2 ZINC000618316840 714734022 /nfs/dbraw/zinc/73/40/22/714734022.db2.gz IHKPHHZFJXKAIH-OAHLLOKOSA-N 1 1 359.495 3.132 20 30 FGEDMO Cc1nn(C)c(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1Br ZINC000619748444 714866067 /nfs/dbraw/zinc/86/60/67/714866067.db2.gz FFOARFWIKKTLET-UHFFFAOYSA-N 1 1 353.651 3.306 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000779161628 724396621 /nfs/dbraw/zinc/39/66/21/724396621.db2.gz MUGYZTQZHURHEK-UHFFFAOYSA-N 1 1 360.885 3.329 20 30 FGEDMO C=CC[C@H]1CC[N@H+](CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000625702557 715776178 /nfs/dbraw/zinc/77/61/78/715776178.db2.gz ZJDOYADHZPSNNN-AWEZNQCLSA-N 1 1 356.388 3.142 20 30 FGEDMO C=CCOc1c(Br)cc(C=NNc2cc[nH+]cc2)cc1OC ZINC000779812051 724428398 /nfs/dbraw/zinc/42/83/98/724428398.db2.gz XRQOKDGVALWHAN-UHFFFAOYSA-N 1 1 362.227 3.285 20 30 FGEDMO CON=CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000803472730 724451917 /nfs/dbraw/zinc/45/19/17/724451917.db2.gz DLWYXWWNETXFEI-CYBMUJFWSA-N 1 1 365.783 3.014 20 30 FGEDMO CON=CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000803472730 724451919 /nfs/dbraw/zinc/45/19/19/724451919.db2.gz DLWYXWWNETXFEI-CYBMUJFWSA-N 1 1 365.783 3.014 20 30 FGEDMO O[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000645089909 718181097 /nfs/dbraw/zinc/18/10/97/718181097.db2.gz ZGVSQKGWLKQOGM-UPJWGTAASA-N 1 1 359.285 3.402 20 30 FGEDMO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1C)[C@@H](C)COC ZINC000661243450 720214177 /nfs/dbraw/zinc/21/41/77/720214177.db2.gz KKJJFEVDRAGHOS-ZDUSSCGKSA-N 1 1 355.276 3.219 20 30 FGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1C)[C@@H](C)COC ZINC000661243450 720214178 /nfs/dbraw/zinc/21/41/78/720214178.db2.gz KKJJFEVDRAGHOS-ZDUSSCGKSA-N 1 1 355.276 3.219 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](CCF)C2)c(OC)c1 ZINC000661696819 720304399 /nfs/dbraw/zinc/30/43/99/720304399.db2.gz MSLRMDIONOZNII-QZTJIDSGSA-N 1 1 351.462 3.235 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661958345 720350031 /nfs/dbraw/zinc/35/00/31/720350031.db2.gz KRZTWZIJSRYFQQ-MRXNPFEDSA-N 1 1 360.523 3.486 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)CCC3)[C@@H]2C ZINC001164864180 721003529 /nfs/dbraw/zinc/00/35/29/721003529.db2.gz YVAUGGGEJZYSGG-OAHLLOKOSA-N 1 1 364.497 3.060 20 30 FGEDMO C=CCS(=O)(=O)CC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000783533413 724762230 /nfs/dbraw/zinc/76/22/30/724762230.db2.gz ZRGYGSIXGSMGSY-IBGZPJMESA-N 1 1 363.454 3.114 20 30 FGEDMO Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ccc1C#N ZINC001165021648 721817834 /nfs/dbraw/zinc/81/78/34/721817834.db2.gz FQJMSIVYFBWPEA-JBACZVJFSA-N 1 1 361.493 3.394 20 30 FGEDMO C=CC[NH+]1CCN(c2ccc(-c3ccc(N4CCCCC4)cc3)nn2)CC1 ZINC001165035980 721872591 /nfs/dbraw/zinc/87/25/91/721872591.db2.gz YTISIZDICNNSNA-UHFFFAOYSA-N 1 1 363.509 3.442 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC1 ZINC000784355985 724846144 /nfs/dbraw/zinc/84/61/44/724846144.db2.gz UUDBVQQBUOGOLL-CQSZACIVSA-N 1 1 351.372 3.057 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)c2cc(Br)cc3ccccc32)CC1 ZINC000730217102 722466176 /nfs/dbraw/zinc/46/61/76/722466176.db2.gz BPVRYZLIFAGSCD-UHFFFAOYSA-N 1 1 371.278 3.383 20 30 FGEDMO C[NH+]1CCN(N=C(CC(F)(F)F)c2ccc(Br)cc2)CC1 ZINC000731923100 722479366 /nfs/dbraw/zinc/47/93/66/722479366.db2.gz VMHPVSVTPCSPAK-UHFFFAOYSA-N 1 1 364.209 3.353 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)Nc1ccccc1 ZINC000734362405 722506484 /nfs/dbraw/zinc/50/64/84/722506484.db2.gz OWEYSWBUUKKPEC-HNNXBMFYSA-N 1 1 353.495 3.266 20 30 FGEDMO CCOCCC[N@H+]1CCC(=NNC(=S)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000735227716 722513451 /nfs/dbraw/zinc/51/34/51/722513451.db2.gz GKIZPFXGYPXOIJ-AWEZNQCLSA-N 1 1 366.506 3.237 20 30 FGEDMO CCOCCC[N@H+]1CCC(=NNC(=S)N[C@@H]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000735228105 722513467 /nfs/dbraw/zinc/51/34/67/722513467.db2.gz PMWXJCVGCVPFJD-IXDOHACOSA-N 1 1 368.591 3.154 20 30 FGEDMO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(Br)cc3F)n2c1 ZINC000736639158 722524033 /nfs/dbraw/zinc/52/40/33/722524033.db2.gz LMZNOFPNTKALOX-UHFFFAOYSA-N 1 1 359.202 3.397 20 30 FGEDMO CC[N@H+]1CCC(=NNC(=S)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000741457130 722546086 /nfs/dbraw/zinc/54/60/86/722546086.db2.gz FTMZFURPSGFJIV-LLVKDONJSA-N 1 1 369.332 3.453 20 30 FGEDMO Cc1ncc(CO)c(/C=N/C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1O ZINC000741465308 722546171 /nfs/dbraw/zinc/54/61/71/722546171.db2.gz UESPHFFCQFMEEJ-LKERYGQTSA-N 1 1 359.495 3.151 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)CC1 ZINC000742606591 722558431 /nfs/dbraw/zinc/55/84/31/722558431.db2.gz HVFXRECMBAPCHX-SQFISAMPSA-N 1 1 350.384 3.276 20 30 FGEDMO C#C[C@H](CC)NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000753180520 722888633 /nfs/dbraw/zinc/88/86/33/722888633.db2.gz UWZHSTKRMSQNCF-CPUCHLNUSA-N 1 1 351.853 3.183 20 30 FGEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CCO2)c1 ZINC000753550334 722904104 /nfs/dbraw/zinc/90/41/04/722904104.db2.gz WFCGVWAFMONHKV-LJQANCHMSA-N 1 1 350.447 3.379 20 30 FGEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CCO2)c1 ZINC000753550334 722904106 /nfs/dbraw/zinc/90/41/06/722904106.db2.gz WFCGVWAFMONHKV-LJQANCHMSA-N 1 1 350.447 3.379 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1csc(Cc2ccccc2F)n1 ZINC000756544805 722966602 /nfs/dbraw/zinc/96/66/02/722966602.db2.gz WRCUMYHYUQMFKB-HNNXBMFYSA-N 1 1 358.438 3.127 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1csc(Cc2ccccc2F)n1 ZINC000756544805 722966603 /nfs/dbraw/zinc/96/66/03/722966603.db2.gz WRCUMYHYUQMFKB-HNNXBMFYSA-N 1 1 358.438 3.127 20 30 FGEDMO C#CCSCCNC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000761701355 723177666 /nfs/dbraw/zinc/17/76/66/723177666.db2.gz MSHFFVCNTCYYKR-HKUYNNGSSA-N 1 1 359.539 3.220 20 30 FGEDMO Cc1cccc(N=C2NC(=O)/C(=C/c3ncc(C[NH+](C)C)s3)S2)c1 ZINC000794691758 723541158 /nfs/dbraw/zinc/54/11/58/723541158.db2.gz RYAPVWIWUZISEC-ZSOIEALJSA-N 1 1 358.492 3.405 20 30 FGEDMO C[C@H]1CC(=NNC(=S)Nc2cccnc2)C[N@@H+](Cc2ccccc2)C1 ZINC000767367960 723616360 /nfs/dbraw/zinc/61/63/60/723616360.db2.gz WPHSVIFGPCXZEL-HNNXBMFYSA-N 1 1 353.495 3.266 20 30 FGEDMO C[C@H]1CC(=NNC(=S)Nc2cccnc2)C[N@H+](Cc2ccccc2)C1 ZINC000767367960 723616361 /nfs/dbraw/zinc/61/63/61/723616361.db2.gz WPHSVIFGPCXZEL-HNNXBMFYSA-N 1 1 353.495 3.266 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)OCCCn2cc[nH+]c2C)c1C#N ZINC000767547251 723622772 /nfs/dbraw/zinc/62/27/72/723622772.db2.gz HZGHFSFHIFBMHT-UHFFFAOYSA-N 1 1 356.451 3.305 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000798020546 723899631 /nfs/dbraw/zinc/89/96/31/723899631.db2.gz CXBPRKLUHCCGJQ-XIRDDKMYSA-N 1 1 350.384 3.165 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000798020546 723899634 /nfs/dbraw/zinc/89/96/34/723899634.db2.gz CXBPRKLUHCCGJQ-XIRDDKMYSA-N 1 1 350.384 3.165 20 30 FGEDMO C=C(Cl)C[NH2+]Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1 ZINC000775967762 724090407 /nfs/dbraw/zinc/09/04/07/724090407.db2.gz CLIFNNACQNWVJB-UHFFFAOYSA-N 1 1 365.813 3.496 20 30 FGEDMO C#CC[N@@H+](CCOCC(F)F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000787250339 725022270 /nfs/dbraw/zinc/02/22/70/725022270.db2.gz UDXYLEMMVDAUIM-CQSZACIVSA-N 1 1 374.225 3.490 20 30 FGEDMO C#CC[N@H+](CCOCC(F)F)[C@@H]1CCOc2ccc(Br)cc21 ZINC000787250339 725022273 /nfs/dbraw/zinc/02/22/73/725022273.db2.gz UDXYLEMMVDAUIM-CQSZACIVSA-N 1 1 374.225 3.490 20 30 FGEDMO C#Cc1cncc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1 ZINC000807356762 725159793 /nfs/dbraw/zinc/15/97/93/725159793.db2.gz PEHWZEDJJMBNRW-UHFFFAOYSA-N 1 1 358.239 3.139 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697002 725259838 /nfs/dbraw/zinc/25/98/38/725259838.db2.gz BHHJAGXYRSKFHE-OCCSQVGLSA-N 1 1 361.791 3.345 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697002 725259839 /nfs/dbraw/zinc/25/98/39/725259839.db2.gz BHHJAGXYRSKFHE-OCCSQVGLSA-N 1 1 361.791 3.345 20 30 FGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000809702886 725260534 /nfs/dbraw/zinc/26/05/34/725260534.db2.gz ZTCZSKPTEZIQMH-UHFFFAOYSA-N 1 1 352.475 3.453 20 30 FGEDMO C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000810269680 725300825 /nfs/dbraw/zinc/30/08/25/725300825.db2.gz BUTPFVKEODERSK-KRWDZBQOSA-N 1 1 352.503 3.300 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000812884828 726820354 /nfs/dbraw/zinc/82/03/54/726820354.db2.gz ZFXCDMJJNVTJEU-HXUWFJFHSA-N 1 1 356.853 3.378 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)c1cccc(Br)c1 ZINC000813067652 726835094 /nfs/dbraw/zinc/83/50/94/726835094.db2.gz QOQSXJQJUVEBMG-CJNGLKHVSA-N 1 1 350.256 3.193 20 30 FGEDMO Cc1[nH+]ccn1CCCCOC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000815476723 727076991 /nfs/dbraw/zinc/07/69/91/727076991.db2.gz ICJYGKHSBIVZCP-UHFFFAOYSA-N 1 1 352.316 3.114 20 30 FGEDMO CC(C)(C)OC(=O)N1CCc2nc(C[NH2+][C@@H]3CC[C@H](C#N)C3)sc2C1 ZINC000818231721 727302631 /nfs/dbraw/zinc/30/26/31/727302631.db2.gz XQQGDMKOXXSHSN-QWHCGFSZSA-N 1 1 362.499 3.218 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc2cc(Br)cc(C)c2o1 ZINC000818612070 727316885 /nfs/dbraw/zinc/31/68/85/727316885.db2.gz MZBHFPRQOPFRRY-UHFFFAOYSA-N 1 1 363.255 3.189 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000819162014 727353946 /nfs/dbraw/zinc/35/39/46/727353946.db2.gz CWWMAAPDOOUIPJ-GFCCVEGCSA-N 1 1 371.959 3.192 20 30 FGEDMO C#C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1F ZINC000820744776 729024727 /nfs/dbraw/zinc/02/47/27/729024727.db2.gz JYRZDVBXHRYFPY-KKXDTOCCSA-N 1 1 363.864 3.279 20 30 FGEDMO C#C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1F ZINC000820755821 729026854 /nfs/dbraw/zinc/02/68/54/729026854.db2.gz RCUFIDWAPCIYEI-YOEHRIQHSA-N 1 1 351.853 3.278 20 30 FGEDMO C#CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000825820990 729396236 /nfs/dbraw/zinc/39/62/36/729396236.db2.gz CLKRZLGYAMJNPK-MSOLQXFVSA-N 1 1 359.539 3.405 20 30 FGEDMO C#C[C@H](NC(=O)CCCn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000833230307 729743705 /nfs/dbraw/zinc/74/37/05/729743705.db2.gz BMOUXPJHQGMHTI-INIZCTEOSA-N 1 1 360.255 3.225 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C2\Cc3c(c(Br)ccc3F)C2=O)n1C ZINC000840722263 730165933 /nfs/dbraw/zinc/16/59/33/730165933.db2.gz ZVSHWJIVXSKAKO-RMKNXTFCSA-N 1 1 364.218 3.210 20 30 FGEDMO C(=[NH+]NC12CC(C1)C2)c1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000842547040 730513644 /nfs/dbraw/zinc/51/36/44/730513644.db2.gz GKSDSXHLEVDIDB-UHFFFAOYSA-N 1 1 354.479 3.123 20 30 FGEDMO C#CCCC[N@@H+]1CCC[C@H]([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000844354460 730706297 /nfs/dbraw/zinc/70/62/97/730706297.db2.gz KALVNYDSFVQSKF-RCCFBDPRSA-N 1 1 350.503 3.184 20 30 FGEDMO C=C(C)CONC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000845605262 730870637 /nfs/dbraw/zinc/87/06/37/730870637.db2.gz IWUNBQYFSLMKQU-SJORKVTESA-N 1 1 353.413 3.296 20 30 FGEDMO C=C(C)CONC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000845605262 730870640 /nfs/dbraw/zinc/87/06/40/730870640.db2.gz IWUNBQYFSLMKQU-SJORKVTESA-N 1 1 353.413 3.296 20 30 FGEDMO C=C[C@H](C)ONC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000845633289 730873268 /nfs/dbraw/zinc/87/32/68/730873268.db2.gz OPJVLVBMDCTWMX-WFASDCNBSA-N 1 1 357.376 3.085 20 30 FGEDMO C=C[C@@H](C)ONC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000845633286 730873371 /nfs/dbraw/zinc/87/33/71/730873371.db2.gz OPJVLVBMDCTWMX-DOMZBBRYSA-N 1 1 357.376 3.085 20 30 FGEDMO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000846922937 730995097 /nfs/dbraw/zinc/99/50/97/730995097.db2.gz JVBZECNDLKKJDQ-QRWLVFNGSA-N 1 1 355.869 3.456 20 30 FGEDMO CC(C)(C)OC(=O)N[C@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000848407430 731161485 /nfs/dbraw/zinc/16/14/85/731161485.db2.gz PFVOOQVGNFUCOK-NSHDSACASA-N 1 1 357.252 3.317 20 30 FGEDMO CN(C)C(NCc1cccc(Br)c1O)=[NH+]Cc1ccccc1 ZINC000849105153 731229788 /nfs/dbraw/zinc/22/97/88/731229788.db2.gz DVXWCEGZTOCPQO-UHFFFAOYSA-N 1 1 362.271 3.362 20 30 FGEDMO C#CCOCC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000851974412 731526723 /nfs/dbraw/zinc/52/67/23/731526723.db2.gz XKWUKBRMBOTXNK-UHFFFAOYSA-N 1 1 352.272 3.080 20 30 FGEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl)C(=O)N(C)CCC#N ZINC000856780196 732059505 /nfs/dbraw/zinc/05/95/05/732059505.db2.gz FSDYXBMFQLZZFS-NXEZZACHSA-N 1 1 362.783 3.165 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)cc1OC ZINC000862409380 732828209 /nfs/dbraw/zinc/82/82/09/732828209.db2.gz XGEGKRPJCVLDIQ-UHFFFAOYSA-N 1 1 362.857 3.283 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)cc1OC ZINC000862409380 732828213 /nfs/dbraw/zinc/82/82/13/732828213.db2.gz XGEGKRPJCVLDIQ-UHFFFAOYSA-N 1 1 362.857 3.283 20 30 FGEDMO N#CCc1ccsc1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000865161599 733149857 /nfs/dbraw/zinc/14/98/57/733149857.db2.gz XHMLBJQCIPQRBK-QGZVFWFLSA-N 1 1 353.491 3.109 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](OC3CCC3)CC2)C1=O ZINC000872279865 735612841 /nfs/dbraw/zinc/61/28/41/735612841.db2.gz JTUSKHZXCDIMDR-IRXDYDNUSA-N 1 1 359.495 3.149 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](OC3CCC3)CC2)C1=O ZINC000872279865 735612842 /nfs/dbraw/zinc/61/28/42/735612842.db2.gz JTUSKHZXCDIMDR-IRXDYDNUSA-N 1 1 359.495 3.149 20 30 FGEDMO N#Cc1ccc(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)s1 ZINC000882393883 737450662 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C=CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1cccc([N+](=O)[O-])c1 ZINC000177025908 495888760 /nfs/dbraw/zinc/88/87/60/495888760.db2.gz COFKGKQBNMAWNT-UHFFFAOYSA-N 1 1 372.400 3.333 20 30 FGEDMO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000568929206 505810510 /nfs/dbraw/zinc/81/05/10/505810510.db2.gz UYUYEIPAOAWUER-KRWDZBQOSA-N 1 1 351.450 3.342 20 30 FGEDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000568929206 505810512 /nfs/dbraw/zinc/81/05/12/505810512.db2.gz UYUYEIPAOAWUER-KRWDZBQOSA-N 1 1 351.450 3.342 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000151677674 495916138 /nfs/dbraw/zinc/91/61/38/495916138.db2.gz UGUJQKCNGZNZJN-RDJZCZTQSA-N 1 1 373.840 3.331 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1Cl ZINC000151677674 495916143 /nfs/dbraw/zinc/91/61/43/495916143.db2.gz UGUJQKCNGZNZJN-RDJZCZTQSA-N 1 1 373.840 3.331 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)c1 ZINC000171586820 495938273 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20 30 FGEDMO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-n2cncn2)cc1 ZINC000181874745 496582093 /nfs/dbraw/zinc/58/20/93/496582093.db2.gz BDPFIVFPFWVLHH-AWEZNQCLSA-N 1 1 371.404 3.040 20 30 FGEDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000164207063 496595320 /nfs/dbraw/zinc/59/53/20/496595320.db2.gz AFOZTFIZIJDHFY-AWEZNQCLSA-N 1 1 351.406 3.136 20 30 FGEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000164207063 496595327 /nfs/dbraw/zinc/59/53/27/496595327.db2.gz AFOZTFIZIJDHFY-AWEZNQCLSA-N 1 1 351.406 3.136 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC)c(C#N)c1 ZINC000178857585 496596100 /nfs/dbraw/zinc/59/61/00/496596100.db2.gz FHMONOQRTVCZDF-UHFFFAOYSA-N 1 1 353.422 3.036 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(OC)c(C#N)c1 ZINC000178857585 496596106 /nfs/dbraw/zinc/59/61/06/496596106.db2.gz FHMONOQRTVCZDF-UHFFFAOYSA-N 1 1 353.422 3.036 20 30 FGEDMO COc1ccccc1[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000158002738 496606284 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N#Cc1c(F)cccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000189065066 496995896 /nfs/dbraw/zinc/99/58/96/496995896.db2.gz UPLPLXWVXNTHMW-CQSZACIVSA-N 1 1 357.454 3.401 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[NH+]1CCSCC1 ZINC000264866287 497000084 /nfs/dbraw/zinc/00/00/84/497000084.db2.gz ONQLIFSLRSHAHC-CQSZACIVSA-N 1 1 364.540 3.251 20 30 FGEDMO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000274220322 497043834 /nfs/dbraw/zinc/04/38/34/497043834.db2.gz VDLWBVRRGCYFTF-IBGZPJMESA-N 1 1 354.475 3.234 20 30 FGEDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000274220322 497043839 /nfs/dbraw/zinc/04/38/39/497043839.db2.gz VDLWBVRRGCYFTF-IBGZPJMESA-N 1 1 354.475 3.234 20 30 FGEDMO C=C(C)[C@H](Cc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)OCC ZINC000270073113 497052451 /nfs/dbraw/zinc/05/24/51/497052451.db2.gz XWZAJUNEOTXLCG-SFHVURJKSA-N 1 1 357.454 3.093 20 30 FGEDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)C[C@H]2C1 ZINC000192462780 497122018 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3.124 20 30 FGEDMO C=CCn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000581039476 505895915 /nfs/dbraw/zinc/89/59/15/505895915.db2.gz GABSFMBJIALFPA-LJQANCHMSA-N 1 1 351.498 3.366 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193583660 497419851 /nfs/dbraw/zinc/41/98/51/497419851.db2.gz MTWVJLGFEMRPFR-JSGCOSHPSA-N 1 1 357.845 3.141 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193583660 497419856 /nfs/dbraw/zinc/41/98/56/497419856.db2.gz MTWVJLGFEMRPFR-JSGCOSHPSA-N 1 1 357.845 3.141 20 30 FGEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC1(O)CCCCCC1 ZINC000279489079 497453270 /nfs/dbraw/zinc/45/32/70/497453270.db2.gz XTWDRUBZAUKNRF-UHFFFAOYSA-N 1 1 367.497 3.376 20 30 FGEDMO CN1CC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245665263 497492175 /nfs/dbraw/zinc/49/21/75/497492175.db2.gz GUEAVWOMMPJAIM-CXAGYDPISA-N 1 1 361.852 3.294 20 30 FGEDMO C[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC2(CCOCC2)O1 ZINC000279648422 497497631 /nfs/dbraw/zinc/49/76/31/497497631.db2.gz BMJKBQFTLJQBAO-HNNXBMFYSA-N 1 1 353.384 3.327 20 30 FGEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC2(CCOCC2)O1 ZINC000279648422 497497633 /nfs/dbraw/zinc/49/76/33/497497633.db2.gz BMJKBQFTLJQBAO-HNNXBMFYSA-N 1 1 353.384 3.327 20 30 FGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000276340054 497549940 /nfs/dbraw/zinc/54/99/40/497549940.db2.gz SYXGPFBQNQDIPK-CHWSQXEVSA-N 1 1 365.275 3.187 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000245863781 497552712 /nfs/dbraw/zinc/55/27/12/497552712.db2.gz PMWMMNRKGJXVEO-MSOLQXFVSA-N 1 1 359.514 3.451 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000245863781 497552717 /nfs/dbraw/zinc/55/27/17/497552717.db2.gz PMWMMNRKGJXVEO-MSOLQXFVSA-N 1 1 359.514 3.451 20 30 FGEDMO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000245912626 497568948 /nfs/dbraw/zinc/56/89/48/497568948.db2.gz PMIXGFBXBCWIJD-AQNXPRMDSA-N 1 1 368.569 3.479 20 30 FGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)[C@@H]2C1 ZINC000272411079 497621646 /nfs/dbraw/zinc/62/16/46/497621646.db2.gz KUOMFYWWOIWMOW-GHTZIAJQSA-N 1 1 360.461 3.039 20 30 FGEDMO C[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(Br)cc1 ZINC000272555220 497661386 /nfs/dbraw/zinc/66/13/86/497661386.db2.gz LENBBOGPQARQLO-ZDUSSCGKSA-N 1 1 364.287 3.252 20 30 FGEDMO C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000246209161 497661454 /nfs/dbraw/zinc/66/14/54/497661454.db2.gz PFCKZPHXXJZSNP-JXFKEZNVSA-N 1 1 365.506 3.440 20 30 FGEDMO C[N@@H+]1CCC[C@@H](CNCc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000246209161 497661462 /nfs/dbraw/zinc/66/14/62/497661462.db2.gz PFCKZPHXXJZSNP-JXFKEZNVSA-N 1 1 365.506 3.440 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNCc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000246209161 497661468 /nfs/dbraw/zinc/66/14/68/497661468.db2.gz PFCKZPHXXJZSNP-JXFKEZNVSA-N 1 1 365.506 3.440 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3Cn3cnc4ccccc43)n2c1 ZINC000581158865 505923037 /nfs/dbraw/zinc/92/30/37/505923037.db2.gz KGZRDHOBBRAPRF-KRWDZBQOSA-N 1 1 356.433 3.220 20 30 FGEDMO C#CCCCC(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000276946447 497696529 /nfs/dbraw/zinc/69/65/29/497696529.db2.gz BMCQWPXJLAWMRI-HNNXBMFYSA-N 1 1 359.445 3.381 20 30 FGEDMO C#CCCCC(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000276946447 497696531 /nfs/dbraw/zinc/69/65/31/497696531.db2.gz BMCQWPXJLAWMRI-HNNXBMFYSA-N 1 1 359.445 3.381 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C2CC2)O1 ZINC000280476724 497765932 /nfs/dbraw/zinc/76/59/32/497765932.db2.gz DDGLVVUEBXKATK-JXFKEZNVSA-N 1 1 350.466 3.463 20 30 FGEDMO C[C@@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)N(C)CCC#N ZINC000246541045 497768509 /nfs/dbraw/zinc/76/85/09/497768509.db2.gz IASDKRWVTKEUID-CEXWTWQISA-N 1 1 370.541 3.015 20 30 FGEDMO C[C@@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)N(C)CCC#N ZINC000246541045 497768512 /nfs/dbraw/zinc/76/85/12/497768512.db2.gz IASDKRWVTKEUID-CEXWTWQISA-N 1 1 370.541 3.015 20 30 FGEDMO C[C@@H](NC(=O)NC1(c2cccc(C#N)c2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273000435 497782012 /nfs/dbraw/zinc/78/20/12/497782012.db2.gz RFCMGZDMAPSOIU-AEFFLSMTSA-N 1 1 366.509 3.500 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000246796370 497811845 /nfs/dbraw/zinc/81/18/45/497811845.db2.gz MNXGWDVWAKNFPF-PCCBWWKXSA-N 1 1 354.425 3.319 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](Nc4ccccc4)C3)C2=O)cc1 ZINC000246808242 497812795 /nfs/dbraw/zinc/81/27/95/497812795.db2.gz RVFHCTMOJWCIOP-CTNGQTDRSA-N 1 1 360.461 3.240 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246818634 497813476 /nfs/dbraw/zinc/81/34/76/497813476.db2.gz JTQDLGOYCUBYAS-SJLPKXTDSA-N 1 1 359.539 3.319 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C[C@H](C)O)ccc1Cl ZINC000246911129 497819925 /nfs/dbraw/zinc/81/99/25/497819925.db2.gz YAHUULLSNUTACV-JKSUJKDBSA-N 1 1 363.889 3.130 20 30 FGEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000288587310 497838671 /nfs/dbraw/zinc/83/86/71/497838671.db2.gz CVBNVXKEQMLVNI-IYBDPMFKSA-N 1 1 353.388 3.227 20 30 FGEDMO N#Cc1ccncc1N1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000578417464 505934642 /nfs/dbraw/zinc/93/46/42/505934642.db2.gz KAWMZSIZYJNJGT-UHFFFAOYSA-N 1 1 355.445 3.337 20 30 FGEDMO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329615590 497846728 /nfs/dbraw/zinc/84/67/28/497846728.db2.gz PPUNIPHXMJEHBR-KRWDZBQOSA-N 1 1 365.909 3.104 20 30 FGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329636810 497852317 /nfs/dbraw/zinc/85/23/17/497852317.db2.gz YJTACHIRNHRPNH-IVSAIRAKSA-N 1 1 367.925 3.064 20 30 FGEDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]=C([O-])N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329636810 497852320 /nfs/dbraw/zinc/85/23/20/497852320.db2.gz YJTACHIRNHRPNH-IVSAIRAKSA-N 1 1 367.925 3.064 20 30 FGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]=C([O-])N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329636810 497852327 /nfs/dbraw/zinc/85/23/27/497852327.db2.gz YJTACHIRNHRPNH-IVSAIRAKSA-N 1 1 367.925 3.064 20 30 FGEDMO CCn1cc([C@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000295931886 497857968 /nfs/dbraw/zinc/85/79/68/497857968.db2.gz GALXBTVVWVOMFY-ZDUSSCGKSA-N 1 1 371.510 3.394 20 30 FGEDMO Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCC(NC(=O)C3CC3)CC2)C1=O ZINC000329667116 497861796 /nfs/dbraw/zinc/86/17/96/497861796.db2.gz RKLAVORVDIRNDJ-LJQANCHMSA-N 1 1 373.472 3.460 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000329697247 497873092 /nfs/dbraw/zinc/87/30/92/497873092.db2.gz YFFKPWMSMWUJRO-CABCVRRESA-N 1 1 360.454 3.325 20 30 FGEDMO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329708512 497876164 /nfs/dbraw/zinc/87/61/64/497876164.db2.gz LCHXYTVXCVASKA-ONUXSRJRSA-N 1 1 373.541 3.246 20 30 FGEDMO Cn1nc2c(c1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)CCCC2 ZINC000329754657 497889350 /nfs/dbraw/zinc/88/93/50/497889350.db2.gz XKPUXNPZLHCERU-IBGZPJMESA-N 1 1 352.482 3.420 20 30 FGEDMO CCN(C(=O)c1cc(C[NH+]2CCCC2)on1)[C@H](C)c1ccc(C#N)cc1 ZINC000292133008 497892334 /nfs/dbraw/zinc/89/23/34/497892334.db2.gz OBNPVPDHVJFBSS-OAHLLOKOSA-N 1 1 352.438 3.365 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000299726759 497908672 /nfs/dbraw/zinc/90/86/72/497908672.db2.gz UZJMQRANIXLXOU-NRFANRHFSA-N 1 1 363.461 3.160 20 30 FGEDMO CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)C1(C#N)CCCCC1 ZINC000329815689 497912223 /nfs/dbraw/zinc/91/22/23/497912223.db2.gz NXKOQGVSPVGRKB-IPMKNSEASA-N 1 1 361.530 3.077 20 30 FGEDMO CC(C)n1cc2cc([NH+]=C([O-])NC[C@@H]3CCc4[nH+]ccn4C3)ccc2n1 ZINC000329828364 497917192 /nfs/dbraw/zinc/91/71/92/497917192.db2.gz JIPMGUYFDIWRPB-AWEZNQCLSA-N 1 1 352.442 3.402 20 30 FGEDMO Cc1cc(F)cc(-n2cc(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)nn2)c1 ZINC000329840243 497922212 /nfs/dbraw/zinc/92/22/12/497922212.db2.gz JMYSNBCVHYRRBB-OAHLLOKOSA-N 1 1 357.433 3.036 20 30 FGEDMO Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCCC34CCCC4)CC2)cn1 ZINC000329842239 497922566 /nfs/dbraw/zinc/92/25/66/497922566.db2.gz WZFKGSYCMIGASU-LJQANCHMSA-N 1 1 373.545 3.345 20 30 FGEDMO Cn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCCC34CCCC4)CC2)cn1 ZINC000329842239 497922570 /nfs/dbraw/zinc/92/25/70/497922570.db2.gz WZFKGSYCMIGASU-LJQANCHMSA-N 1 1 373.545 3.345 20 30 FGEDMO Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2COc3ccc(Cl)cc32)CC1 ZINC000329851465 497927756 /nfs/dbraw/zinc/92/77/56/497927756.db2.gz QUNIVYYLPOTTBL-MRXNPFEDSA-N 1 1 374.872 3.376 20 30 FGEDMO CC(C)c1nc([C@H]2CCCCN2CC(=O)NC2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000329862752 497932639 /nfs/dbraw/zinc/93/26/39/497932639.db2.gz YTLZNRSYITWRKB-QGZVFWFLSA-N 1 1 374.533 3.038 20 30 FGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1CCc2ccccc2C1=O ZINC000329869284 497933695 /nfs/dbraw/zinc/93/36/95/497933695.db2.gz YOQGSZAYCQIWLX-IXDOHACOSA-N 1 1 357.498 3.008 20 30 FGEDMO Cc1ccc([C@H]([NH2+]Cc2ccc(F)c(C#N)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280906696 497944735 /nfs/dbraw/zinc/94/47/35/497944735.db2.gz RNXACMWSOWMVQX-IFXJQAMLSA-N 1 1 360.454 3.270 20 30 FGEDMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000292292514 497956531 /nfs/dbraw/zinc/95/65/31/497956531.db2.gz UHUIPRNWMMWUDP-LBPRGKRZSA-N 1 1 368.384 3.390 20 30 FGEDMO Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000292292514 497956538 /nfs/dbraw/zinc/95/65/38/497956538.db2.gz UHUIPRNWMMWUDP-LBPRGKRZSA-N 1 1 368.384 3.390 20 30 FGEDMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)C[C@H]2C=CCCC2)cc[nH+]1 ZINC000329932831 497957768 /nfs/dbraw/zinc/95/77/68/497957768.db2.gz IXCYRPVIJUMTTC-JYJNAYRXSA-N 1 1 361.465 3.162 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000330013425 497990552 /nfs/dbraw/zinc/99/05/52/497990552.db2.gz MDBQUSVFEQLGBT-LBPRGKRZSA-N 1 1 353.430 3.026 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1=O ZINC000281213002 498057335 /nfs/dbraw/zinc/05/73/35/498057335.db2.gz DICXGRJMHORRSA-HXUWFJFHSA-N 1 1 363.461 3.158 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)C1=O ZINC000281213002 498057343 /nfs/dbraw/zinc/05/73/43/498057343.db2.gz DICXGRJMHORRSA-HXUWFJFHSA-N 1 1 363.461 3.158 20 30 FGEDMO CC[C@@H]1CN(C(=O)Nc2ncc(C(C)(C)C)s2)C[C@H]1[NH+]1CCOCC1 ZINC000330211318 498063429 /nfs/dbraw/zinc/06/34/29/498063429.db2.gz JBZKBHVYRZNISO-ZIAGYGMSSA-N 1 1 366.531 3.029 20 30 FGEDMO O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000330248155 498077457 /nfs/dbraw/zinc/07/74/57/498077457.db2.gz FYVNWXNNBKGQJH-YZGWKJHDSA-N 1 1 358.482 3.364 20 30 FGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)C[C@@H]1C ZINC000330251678 498079674 /nfs/dbraw/zinc/07/96/74/498079674.db2.gz HWFNGUOQCYDHKZ-SGMGOOAPSA-N 1 1 371.934 3.080 20 30 FGEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330260746 498083729 /nfs/dbraw/zinc/08/37/29/498083729.db2.gz SVVURMVLRFTAFX-OAHLLOKOSA-N 1 1 368.437 3.465 20 30 FGEDMO [O-]C(N[C@H]1CCn2cc[nH+]c2C1)=[NH+]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000330265478 498085289 /nfs/dbraw/zinc/08/52/89/498085289.db2.gz ZHZBMBWMPHHPMV-AWEZNQCLSA-N 1 1 354.410 3.075 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000330294654 498096665 /nfs/dbraw/zinc/09/66/65/498096665.db2.gz ITOPYLAINNNIGA-CZUORRHYSA-N 1 1 359.474 3.123 20 30 FGEDMO CCc1cc(N2CCC(NC(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)ncn1 ZINC000330295925 498096740 /nfs/dbraw/zinc/09/67/40/498096740.db2.gz JRNYYJWPNCENGK-SFHVURJKSA-N 1 1 359.518 3.229 20 30 FGEDMO Cn1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C(F)F)n1 ZINC000285478871 498100225 /nfs/dbraw/zinc/10/02/25/498100225.db2.gz LGHIJYGCIJYZTK-UHFFFAOYSA-N 1 1 364.371 3.412 20 30 FGEDMO O=C(C[N@@H+]1CC[C@H](O)C12CCCC2)Nc1ccc(N2CCCCC2)nc1 ZINC000330335078 498109564 /nfs/dbraw/zinc/10/95/64/498109564.db2.gz REMOSXZQEONJOH-KRWDZBQOSA-N 1 1 358.486 3.039 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](O)C23CCCC3)C1 ZINC000330344552 498113781 /nfs/dbraw/zinc/11/37/81/498113781.db2.gz DBQQKGPAROXJPO-IAGOWNOFSA-N 1 1 351.535 3.180 20 30 FGEDMO COCCN(Cc1ccc(C#N)cc1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000581403929 505980572 /nfs/dbraw/zinc/98/05/72/505980572.db2.gz RZYVMGDCGQJQNH-UHFFFAOYSA-N 1 1 357.498 3.188 20 30 FGEDMO CC1(C)OCc2cc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc2O1 ZINC000292702879 498114618 /nfs/dbraw/zinc/11/46/18/498114618.db2.gz CNSAZIAAEUPQSG-GOSISDBHSA-N 1 1 365.433 3.252 20 30 FGEDMO N#Cc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000572502066 505984960 /nfs/dbraw/zinc/98/49/60/505984960.db2.gz GGHGJNSPVHLWMF-MRXNPFEDSA-N 1 1 351.410 3.125 20 30 FGEDMO C[C@@H](CNC(=O)N1CCC(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000330497737 498143477 /nfs/dbraw/zinc/14/34/77/498143477.db2.gz YWFIMXIZNXTLFO-CVEARBPZSA-N 1 1 367.534 3.075 20 30 FGEDMO CN1CC[NH+](C[C@H](Nc2ccc(Cl)c(C#N)n2)c2ccccc2)CC1 ZINC000301564042 498165124 /nfs/dbraw/zinc/16/51/24/498165124.db2.gz YSCJPKFOMAXTCO-SFHVURJKSA-N 1 1 355.873 3.007 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@H](C)CO)[C@@H]1c1ccc(F)c(F)c1 ZINC000330711714 498178089 /nfs/dbraw/zinc/17/80/89/498178089.db2.gz QFGQQRPUPSOHPA-OBQMCUGOSA-N 1 1 369.456 3.009 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@H](C)CO)[C@@H]1c1ccc(F)c(F)c1 ZINC000330711714 498178095 /nfs/dbraw/zinc/17/80/95/498178095.db2.gz QFGQQRPUPSOHPA-OBQMCUGOSA-N 1 1 369.456 3.009 20 30 FGEDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000330824789 498201441 /nfs/dbraw/zinc/20/14/41/498201441.db2.gz HGWZAYCWTHACBW-GXTWGEPZSA-N 1 1 371.403 3.322 20 30 FGEDMO C[N@H+]1CCC[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000301685176 498223329 /nfs/dbraw/zinc/22/33/29/498223329.db2.gz WQIRPOMCPOUIFR-UKRRQHHQSA-N 1 1 357.439 3.418 20 30 FGEDMO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000330974434 498227547 /nfs/dbraw/zinc/22/75/47/498227547.db2.gz GZYMYYWHWPOBSN-IHRRRGAJSA-N 1 1 369.893 3.324 20 30 FGEDMO CC(C)N(C[C@H](C)O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000330974621 498227643 /nfs/dbraw/zinc/22/76/43/498227643.db2.gz HBJUBAZHGOIHCP-YQQAZPJKSA-N 1 1 353.532 3.136 20 30 FGEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(NC(C)=O)cc2Cl)C1 ZINC000331020295 498238407 /nfs/dbraw/zinc/23/84/07/498238407.db2.gz JNLGNKWCQAMGKV-CYBMUJFWSA-N 1 1 352.866 3.118 20 30 FGEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000285922275 498241735 /nfs/dbraw/zinc/24/17/35/498241735.db2.gz USWIMODUPDULFD-DHZHZOJOSA-N 1 1 367.449 3.176 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C ZINC000296933624 498256766 /nfs/dbraw/zinc/25/67/66/498256766.db2.gz OZTQBUKCDKKXFR-OAHLLOKOSA-N 1 1 350.532 3.232 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(NC(C)=O)ccc2OC)C[C@H]1C ZINC000331143846 498261099 /nfs/dbraw/zinc/26/10/99/498261099.db2.gz RVULBHSTTGAGJB-CZUORRHYSA-N 1 1 362.474 3.004 20 30 FGEDMO Cc1ccccc1C(=O)N[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)C(C)C ZINC000331153715 498263049 /nfs/dbraw/zinc/26/30/49/498263049.db2.gz OZFCIYPLCBBOQB-MOPGFXCFSA-N 1 1 359.514 3.123 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c(C#N)c1C ZINC000360340856 498266482 /nfs/dbraw/zinc/26/64/82/498266482.db2.gz BCIVEHIXWRAUGC-INIZCTEOSA-N 1 1 354.479 3.135 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c(C#N)c1C ZINC000360340856 498266490 /nfs/dbraw/zinc/26/64/90/498266490.db2.gz BCIVEHIXWRAUGC-INIZCTEOSA-N 1 1 354.479 3.135 20 30 FGEDMO Cn1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000289756660 498279203 /nfs/dbraw/zinc/27/92/03/498279203.db2.gz YYHTVJWZMOHXKQ-PZJWPPBQSA-N 1 1 362.477 3.492 20 30 FGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000331295897 498294972 /nfs/dbraw/zinc/29/49/72/498294972.db2.gz AELKIUMPLSQBIQ-NSHDSACASA-N 1 1 364.437 3.286 20 30 FGEDMO CCOC(=O)c1ccsc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000331293627 498295030 /nfs/dbraw/zinc/29/50/30/498295030.db2.gz QVHBGRDEWJXFES-QWHCGFSZSA-N 1 1 353.488 3.275 20 30 FGEDMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000331315255 498299286 /nfs/dbraw/zinc/29/92/86/498299286.db2.gz XLLLXABUZAPNDA-SNVBAGLBSA-N 1 1 364.248 3.067 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1C#N ZINC000331436778 498331293 /nfs/dbraw/zinc/33/12/93/498331293.db2.gz GUGZNFAMRSLUKA-KBXCAEBGSA-N 1 1 372.513 3.266 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1C#N ZINC000331436778 498331302 /nfs/dbraw/zinc/33/13/02/498331302.db2.gz GUGZNFAMRSLUKA-KBXCAEBGSA-N 1 1 372.513 3.266 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000331533246 498364028 /nfs/dbraw/zinc/36/40/28/498364028.db2.gz FKLRSOVVNNGMPK-QXCFHYIPSA-N 1 1 358.482 3.207 20 30 FGEDMO Cc1cnn([C@H]2CC[N@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)c1 ZINC000289963556 498373404 /nfs/dbraw/zinc/37/34/04/498373404.db2.gz QUVMJFZJSURZPL-KRWDZBQOSA-N 1 1 361.449 3.190 20 30 FGEDMO Cc1cnn([C@H]2CC[N@@H+](CC(=O)c3cn(CCC#N)c4ccccc34)C2)c1 ZINC000289963556 498373408 /nfs/dbraw/zinc/37/34/08/498373408.db2.gz QUVMJFZJSURZPL-KRWDZBQOSA-N 1 1 361.449 3.190 20 30 FGEDMO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CC2)CC1 ZINC000282218700 498427335 /nfs/dbraw/zinc/42/73/35/498427335.db2.gz IMIZMKRUGIVHNU-HNNXBMFYSA-N 1 1 371.460 3.028 20 30 FGEDMO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C)OCC ZINC000361799202 498432173 /nfs/dbraw/zinc/43/21/73/498432173.db2.gz MOYHXSXRNNIVLE-QGTPRVQTSA-N 1 1 365.543 3.149 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)Cc2cccc(OCC#N)c2)[C@@H]1c1cccs1 ZINC000362063326 498460385 /nfs/dbraw/zinc/46/03/85/498460385.db2.gz FOWZXAAMNJCHIF-OXQOHEQNSA-N 1 1 369.490 3.002 20 30 FGEDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331886049 498487870 /nfs/dbraw/zinc/48/78/70/498487870.db2.gz FTLHSTBOTMQCDJ-KBPBESRZSA-N 1 1 361.511 3.326 20 30 FGEDMO Cc1cccc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] ZINC000302524291 498500962 /nfs/dbraw/zinc/50/09/62/498500962.db2.gz ZDSCRRXYQICXCR-UHFFFAOYSA-N 1 1 350.422 3.487 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000362362157 498503818 /nfs/dbraw/zinc/50/38/18/498503818.db2.gz TWBCIZFQNONDDI-HXUWFJFHSA-N 1 1 354.429 3.004 20 30 FGEDMO CCN(C(=O)[C@@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000572756814 506045245 /nfs/dbraw/zinc/04/52/45/506045245.db2.gz CNWNCKIRHWTVJY-GOSISDBHSA-N 1 1 365.477 3.448 20 30 FGEDMO CCN(C(=O)[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000572756814 506045248 /nfs/dbraw/zinc/04/52/48/506045248.db2.gz CNWNCKIRHWTVJY-GOSISDBHSA-N 1 1 365.477 3.448 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000302616639 498517784 /nfs/dbraw/zinc/51/77/84/498517784.db2.gz CPKIZCWKMANMBW-UGSOOPFHSA-N 1 1 353.426 3.181 20 30 FGEDMO C=C(C)Cn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1[C@@]1(C)CCCO1 ZINC000569920587 506047680 /nfs/dbraw/zinc/04/76/80/506047680.db2.gz FZBCPJCBPXZAHH-HXUWFJFHSA-N 1 1 361.534 3.190 20 30 FGEDMO N#Cc1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000302770064 498566106 /nfs/dbraw/zinc/56/61/06/498566106.db2.gz BSLWZABMPHHVIJ-SFHVURJKSA-N 1 1 366.421 3.169 20 30 FGEDMO C=CCNC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)nc1 ZINC000302783815 498573720 /nfs/dbraw/zinc/57/37/20/498573720.db2.gz LJLYJIRZGCATRL-INIZCTEOSA-N 1 1 368.456 3.020 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1CCC(C#N)CC1 ZINC000282649438 498597148 /nfs/dbraw/zinc/59/71/48/498597148.db2.gz JBBJFDLTAGZTSV-GZNCHQMQSA-N 1 1 368.525 3.480 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(c3nc4ccccc4o3)CC2)CCCCC1 ZINC000363015603 498604272 /nfs/dbraw/zinc/60/42/72/498604272.db2.gz DXMOGLCKDACNJG-UHFFFAOYSA-N 1 1 366.465 3.350 20 30 FGEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)CC(=O)Nc1ccc(F)cc1 ZINC000303135766 498649892 /nfs/dbraw/zinc/64/98/92/498649892.db2.gz AFTDSHHIIXCCRK-UHFFFAOYSA-N 1 1 355.413 3.425 20 30 FGEDMO C=CCCCCC[N@@H+]1CCCN(Cc2nc([C@H](C)OCC)no2)CC1 ZINC000365864603 498675756 /nfs/dbraw/zinc/67/57/56/498675756.db2.gz TZZIHQBKHRNGHE-KRWDZBQOSA-N 1 1 350.507 3.421 20 30 FGEDMO COc1cccc(C(=O)N2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000363180707 498689982 /nfs/dbraw/zinc/68/99/82/498689982.db2.gz JUWCCOVHQDVZOV-KRWDZBQOSA-N 1 1 363.461 3.476 20 30 FGEDMO CCOC1(C)CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000298198222 498692095 /nfs/dbraw/zinc/69/20/95/498692095.db2.gz CDNWRHAZKAQODJ-UHFFFAOYSA-N 1 1 357.498 3.441 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1C ZINC000332517548 498710176 /nfs/dbraw/zinc/71/01/76/498710176.db2.gz XSODXAXYTLUDQV-UYAOXDASSA-N 1 1 368.525 3.109 20 30 FGEDMO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1O ZINC000287321412 498715397 /nfs/dbraw/zinc/71/53/97/498715397.db2.gz FLGGJRQOMBLBNP-RBUKOAKNSA-N 1 1 367.424 3.245 20 30 FGEDMO N#Cc1ccc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1[N+](=O)[O-] ZINC000290906541 498719097 /nfs/dbraw/zinc/71/90/97/498719097.db2.gz GDLFHVZBAWGACU-UHFFFAOYSA-N 1 1 351.410 3.383 20 30 FGEDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000332717096 498773529 /nfs/dbraw/zinc/77/35/29/498773529.db2.gz WHNUCEWATQUCCM-SMDDNHRTSA-N 1 1 368.359 3.157 20 30 FGEDMO Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000366121461 498786441 /nfs/dbraw/zinc/78/64/41/498786441.db2.gz FDXFUJNBDQRESS-INIZCTEOSA-N 1 1 352.413 3.252 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2scc(C)c2C#N)[C@@H](C)C1 ZINC000570104758 506091961 /nfs/dbraw/zinc/09/19/61/506091961.db2.gz OSKJSHRJLLIOCN-XJKSGUPXSA-N 1 1 364.515 3.187 20 30 FGEDMO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000283246395 498830035 /nfs/dbraw/zinc/83/00/35/498830035.db2.gz CJOXAOPAXHRENO-KSSFIOAISA-N 1 1 372.831 3.169 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000283246395 498830040 /nfs/dbraw/zinc/83/00/40/498830040.db2.gz CJOXAOPAXHRENO-KSSFIOAISA-N 1 1 372.831 3.169 20 30 FGEDMO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000298720344 498859797 /nfs/dbraw/zinc/85/97/97/498859797.db2.gz DFGCXYVBIJOHKL-IJEWVQPXSA-N 1 1 352.438 3.022 20 30 FGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000298720344 498859805 /nfs/dbraw/zinc/85/98/05/498859805.db2.gz DFGCXYVBIJOHKL-IJEWVQPXSA-N 1 1 352.438 3.022 20 30 FGEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)C(C)C)nnc1-c1ccc(C)cc1 ZINC000579143136 506103254 /nfs/dbraw/zinc/10/32/54/506103254.db2.gz PNIVCEALDVMYQQ-QGZVFWFLSA-N 1 1 360.527 3.233 20 30 FGEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000328642390 498886700 /nfs/dbraw/zinc/88/67/00/498886700.db2.gz DUOUWIJIEHGFEZ-DLBZAZTESA-N 1 1 370.501 3.079 20 30 FGEDMO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000579169646 506108851 /nfs/dbraw/zinc/10/88/51/506108851.db2.gz WIEKKSFWPGWKOM-HKUYNNGSSA-N 1 1 350.890 3.138 20 30 FGEDMO C=CCn1c(CC(F)(F)F)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000582002686 506109864 /nfs/dbraw/zinc/10/98/64/506109864.db2.gz ABLGPUIGPRPITO-UHFFFAOYSA-N 1 1 357.424 3.024 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000570188767 506111703 /nfs/dbraw/zinc/11/17/03/506111703.db2.gz SDCRWWNOIIRJGH-INIZCTEOSA-N 1 1 371.872 3.022 20 30 FGEDMO C[C@@](O)(CC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C1CC1 ZINC000328746315 498924255 /nfs/dbraw/zinc/92/42/55/498924255.db2.gz AMFDNDVGNOIJCT-LJQANCHMSA-N 1 1 352.519 3.308 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)NC[C@]3([NH+](C)C)CCC[C@@H](C)C3)C2)n[nH]1 ZINC000328756148 498927892 /nfs/dbraw/zinc/92/78/92/498927892.db2.gz UAGHCUGGODLJFB-MDYRTPRTSA-N 1 1 361.534 3.322 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000328812042 498947210 /nfs/dbraw/zinc/94/72/10/498947210.db2.gz FMSQPAKATKWPOH-GOEBONIOSA-N 1 1 362.470 3.429 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328833317 498956039 /nfs/dbraw/zinc/95/60/39/498956039.db2.gz RSYZTSBXFLFWCQ-YYQUZTFQSA-N 1 1 352.862 3.178 20 30 FGEDMO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)C[C@H]1CCCO1 ZINC000328863929 498966205 /nfs/dbraw/zinc/96/62/05/498966205.db2.gz WADPIEQDLMONPA-BWSDNOOPSA-N 1 1 363.502 3.325 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ncnc4c3CCCCC4)CC2)cc1 ZINC000333300570 498971736 /nfs/dbraw/zinc/97/17/36/498971736.db2.gz HNFLIRWRIRSRNN-UHFFFAOYSA-N 1 1 361.493 3.329 20 30 FGEDMO CC(C)[C@H](NC(=O)C[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000328883459 498972793 /nfs/dbraw/zinc/97/27/93/498972793.db2.gz MFWBXFSYEPLINU-QRWLVFNGSA-N 1 1 362.470 3.222 20 30 FGEDMO CC(C)[C@H](NC(=O)C[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000328883459 498972798 /nfs/dbraw/zinc/97/27/98/498972798.db2.gz MFWBXFSYEPLINU-QRWLVFNGSA-N 1 1 362.470 3.222 20 30 FGEDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2cc(C#N)cs2)C1 ZINC000363764040 498980534 /nfs/dbraw/zinc/98/05/34/498980534.db2.gz LBRQZEDQAWUPEK-UHFFFAOYSA-N 1 1 355.463 3.001 20 30 FGEDMO C=CCn1c(Cc2ccccc2Cl)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000570247320 506123089 /nfs/dbraw/zinc/12/30/89/506123089.db2.gz FPLHBQNPIOEVPA-WBVHZDCISA-N 1 1 371.916 3.381 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000328943325 498994837 /nfs/dbraw/zinc/99/48/37/498994837.db2.gz FTBGVBISCKWHAB-DOVSJBTNSA-N 1 1 350.462 3.369 20 30 FGEDMO CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000328958060 498998600 /nfs/dbraw/zinc/99/86/00/498998600.db2.gz ZWFOVIFQBGSQLE-IPMKNSEASA-N 1 1 357.498 3.079 20 30 FGEDMO C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[C@@H](C)C1 ZINC000328967639 499001137 /nfs/dbraw/zinc/00/11/37/499001137.db2.gz ABROPUBDWVXIML-NLEPDTAZSA-N 1 1 361.534 3.131 20 30 FGEDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000328983786 499006529 /nfs/dbraw/zinc/00/65/29/499006529.db2.gz YZUDKOZGTSAYIC-KBPBESRZSA-N 1 1 361.873 3.134 20 30 FGEDMO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328998560 499010912 /nfs/dbraw/zinc/01/09/12/499010912.db2.gz VBKXJKGIFDVWDD-HUUCEWRRSA-N 1 1 358.408 3.188 20 30 FGEDMO C[N@H+]1C[C@H](NC(=O)c2cnc([C@@H]3CCCO3)s2)[C@@H](c2ccccc2)C1 ZINC000329010470 499013512 /nfs/dbraw/zinc/01/35/12/499013512.db2.gz HZVYMAHSDLDFCR-PMPSAXMXSA-N 1 1 357.479 3.397 20 30 FGEDMO CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000329049701 499026899 /nfs/dbraw/zinc/02/68/99/499026899.db2.gz QWWRAWGKAKWOMP-NCXUSEDFSA-N 1 1 368.481 3.383 20 30 FGEDMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000329049979 499026996 /nfs/dbraw/zinc/02/69/96/499026996.db2.gz GWVWTLCQQQBLHL-CEXWTWQISA-N 1 1 368.481 3.129 20 30 FGEDMO COc1cc(Br)cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000329073098 499033542 /nfs/dbraw/zinc/03/35/42/499033542.db2.gz ZWCOAVXVMOCPAU-CABCVRRESA-N 1 1 368.275 3.220 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3ccn(C)c(=O)c3c2)C1 ZINC000329115826 499046565 /nfs/dbraw/zinc/04/65/65/499046565.db2.gz IJCPGHKZACSWCY-HNNXBMFYSA-N 1 1 370.497 3.375 20 30 FGEDMO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000329115343 499047066 /nfs/dbraw/zinc/04/70/66/499047066.db2.gz MQLJHBNOZPZQPW-WSTZPKSXSA-N 1 1 362.445 3.085 20 30 FGEDMO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000329115343 499047073 /nfs/dbraw/zinc/04/70/73/499047073.db2.gz MQLJHBNOZPZQPW-WSTZPKSXSA-N 1 1 362.445 3.085 20 30 FGEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC12CCC2 ZINC000329145757 499055285 /nfs/dbraw/zinc/05/52/85/499055285.db2.gz NXZLDEVTZVSYOG-ZDUSSCGKSA-N 1 1 355.438 3.013 20 30 FGEDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000329246016 499083226 /nfs/dbraw/zinc/08/32/26/499083226.db2.gz QVKUDGMEKNEXKQ-MRXNPFEDSA-N 1 1 358.461 3.495 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c2ccccc21 ZINC000284324327 499089417 /nfs/dbraw/zinc/08/94/17/499089417.db2.gz BFQATCMSTQLLLX-PZJWPPBQSA-N 1 1 351.450 3.381 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c2ccccc21 ZINC000284324327 499089420 /nfs/dbraw/zinc/08/94/20/499089420.db2.gz BFQATCMSTQLLLX-PZJWPPBQSA-N 1 1 351.450 3.381 20 30 FGEDMO C[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1nc(C2CCCCC2)no1 ZINC000329284615 499091802 /nfs/dbraw/zinc/09/18/02/499091802.db2.gz NXQCITNDIFHGPZ-DZKIICNBSA-N 1 1 361.490 3.118 20 30 FGEDMO C=C(CNC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)c1ccccc1 ZINC000291906489 499099404 /nfs/dbraw/zinc/09/94/04/499099404.db2.gz QKWKLXHTYSDZDS-UHFFFAOYSA-N 1 1 355.507 3.493 20 30 FGEDMO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000364093628 499113610 /nfs/dbraw/zinc/11/36/10/499113610.db2.gz XBSZOSJUNBQHFX-SFHVURJKSA-N 1 1 365.433 3.041 20 30 FGEDMO Cc1ccnc(-c2cccc(NC(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)c2)n1 ZINC000329413289 499117864 /nfs/dbraw/zinc/11/78/64/499117864.db2.gz AYGVOXFDICMUFK-GOSISDBHSA-N 1 1 353.470 3.270 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC000329431175 499120949 /nfs/dbraw/zinc/12/09/49/499120949.db2.gz KHEARDKHSAZVTQ-SSAUXNHXSA-N 1 1 373.541 3.102 20 30 FGEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)C1 ZINC000329438733 499121931 /nfs/dbraw/zinc/12/19/31/499121931.db2.gz MMXYOPQXPDYKSD-NVXWUHKLSA-N 1 1 373.497 3.023 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000329448428 499122749 /nfs/dbraw/zinc/12/27/49/499122749.db2.gz LECPZCLNIBXWAZ-OZVIIMIRSA-N 1 1 367.852 3.414 20 30 FGEDMO CC[C@@H]1C[C@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC(=O)N1 ZINC000329453402 499123935 /nfs/dbraw/zinc/12/39/35/499123935.db2.gz PGXBBOQJVOZOFV-RBUKOAKNSA-N 1 1 372.513 3.036 20 30 FGEDMO O=C(CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCCC1 ZINC000329480265 499127191 /nfs/dbraw/zinc/12/71/91/499127191.db2.gz QRZPKRQJGHHAOA-INIZCTEOSA-N 1 1 358.486 3.072 20 30 FGEDMO Cc1nc2n(c1CN1CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC1)CCCC2 ZINC000372622737 499154846 /nfs/dbraw/zinc/15/48/46/499154846.db2.gz WTCVGQNXZCABCU-SFHVURJKSA-N 1 1 363.509 3.278 20 30 FGEDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)CSc1ccc(C#N)cc1)CC2)C1CC1 ZINC000367208333 499161776 /nfs/dbraw/zinc/16/17/76/499161776.db2.gz ITPFHVHSUMUUCO-KRWDZBQOSA-N 1 1 369.534 3.373 20 30 FGEDMO Cc1c([C@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cnn1C ZINC000367330299 499182497 /nfs/dbraw/zinc/18/24/97/499182497.db2.gz HGFHBPMAHMIPJP-NUHHNAHSSA-N 1 1 371.529 3.185 20 30 FGEDMO Cc1c([C@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cnn1C ZINC000367330299 499182500 /nfs/dbraw/zinc/18/25/00/499182500.db2.gz HGFHBPMAHMIPJP-NUHHNAHSSA-N 1 1 371.529 3.185 20 30 FGEDMO COc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1OCCCC#N ZINC000367472003 499203084 /nfs/dbraw/zinc/20/30/84/499203084.db2.gz AWBBGEHZRPWOHM-AABGKKOBSA-N 1 1 369.509 3.294 20 30 FGEDMO N#C[C@]1(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCc2ccccc2C1 ZINC000367585901 499215407 /nfs/dbraw/zinc/21/54/07/499215407.db2.gz WSCYGJGOPZYCHU-KNQAVFIVSA-N 1 1 363.461 3.232 20 30 FGEDMO CC#CCCCC(=O)N(CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000370420351 499219090 /nfs/dbraw/zinc/21/90/90/499219090.db2.gz HOEUYYPRSRCBHA-UHFFFAOYSA-N 1 1 356.514 3.494 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000370719294 499247768 /nfs/dbraw/zinc/24/77/68/499247768.db2.gz KERJMGPCULNNAM-IBGZPJMESA-N 1 1 357.461 3.418 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(C#N)c1C ZINC000368230520 499276394 /nfs/dbraw/zinc/27/63/94/499276394.db2.gz DISRTCIFKVALSP-KBAYOESNSA-N 1 1 359.470 3.112 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(C#N)c1C ZINC000368230520 499276395 /nfs/dbraw/zinc/27/63/95/499276395.db2.gz DISRTCIFKVALSP-KBAYOESNSA-N 1 1 359.470 3.112 20 30 FGEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cccc(C#Cc3ccccn3)c1)C2 ZINC000368239944 499277173 /nfs/dbraw/zinc/27/71/73/499277173.db2.gz JMFDASKRIABCPD-GOSISDBHSA-N 1 1 356.429 3.187 20 30 FGEDMO CC1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1[C@H]1CCCO1 ZINC000368585972 499310436 /nfs/dbraw/zinc/31/04/36/499310436.db2.gz VJKUAKQGXDQBFH-QAPCUYQASA-N 1 1 373.522 3.326 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)NC2(c3cccc(C#N)c3)CC2)[C@H]1c1ccccc1 ZINC000582136266 506142226 /nfs/dbraw/zinc/14/22/26/506142226.db2.gz GSOVEUFFRBNOQA-WOJBJXKFSA-N 1 1 360.461 3.292 20 30 FGEDMO N#Cc1ccc(F)c(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c1 ZINC000371442171 499326875 /nfs/dbraw/zinc/32/68/75/499326875.db2.gz GSUYEBRIHRVKBD-GOSISDBHSA-N 1 1 355.457 3.312 20 30 FGEDMO COc1ccc(C(=O)N2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000371850686 499371557 /nfs/dbraw/zinc/37/15/57/499371557.db2.gz XGSWJHVOOWURAW-QGZVFWFLSA-N 1 1 363.461 3.476 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)C12CCCCC2 ZINC000573207458 506144090 /nfs/dbraw/zinc/14/40/90/506144090.db2.gz XVJINSVGTRAQMX-QZTJIDSGSA-N 1 1 353.470 3.161 20 30 FGEDMO N#Cc1ccccc1N1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000369325788 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C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(C#N)n3C)cc2)C1 ZINC000448704493 500808867 /nfs/dbraw/zinc/80/88/67/500808867.db2.gz LZAUKYAYIVSGSJ-MRXNPFEDSA-N 1 1 350.466 3.059 20 30 FGEDMO C=CCC[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000434281139 500820488 /nfs/dbraw/zinc/82/04/88/500820488.db2.gz PVZPRCUCUCVQIZ-IBGZPJMESA-N 1 1 359.514 3.446 20 30 FGEDMO C=CCC[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccccc1 ZINC000434281139 500820491 /nfs/dbraw/zinc/82/04/91/500820491.db2.gz PVZPRCUCUCVQIZ-IBGZPJMESA-N 1 1 359.514 3.446 20 30 FGEDMO C=CCOc1ccc(C[N@H+](C[C@@H]2CCS(=O)(=O)C2)C(C)(C)C)cc1 ZINC000434470313 500848893 /nfs/dbraw/zinc/84/88/93/500848893.db2.gz MYVALYJUNBHAHB-KRWDZBQOSA-N 1 1 351.512 3.287 20 30 FGEDMO Cc1ccc([C@@]2(C)CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)cc1 ZINC000434746499 500888343 /nfs/dbraw/zinc/88/83/43/500888343.db2.gz NCVAHZIEBLDSJD-NRFANRHFSA-N 1 1 368.502 3.304 20 30 FGEDMO Cc1ccc([C@@]2(C)CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)cc1 ZINC000434746499 500888347 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C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446716434 501155659 /nfs/dbraw/zinc/15/56/59/501155659.db2.gz ITBPXXFWYHFRDY-FQEVSTJZSA-N 1 1 368.433 3.121 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(NC[C@H]3CCC[N@H+]3CCCO)c2c1 ZINC000450590380 501162156 /nfs/dbraw/zinc/16/21/56/501162156.db2.gz DPAYYWOUDCGDOW-OAHLLOKOSA-N 1 1 358.873 3.327 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(NC[C@@H]3CCC[N@H+]3CCCO)c2c1 ZINC000450590379 501162430 /nfs/dbraw/zinc/16/24/30/501162430.db2.gz DPAYYWOUDCGDOW-HNNXBMFYSA-N 1 1 358.873 3.327 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000442090218 501196147 /nfs/dbraw/zinc/19/61/47/501196147.db2.gz YYXOZYLPKSYCEY-RYUDHWBXSA-N 1 1 370.375 3.403 20 30 FGEDMO Cn1c(C#N)ccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450303495 501229711 /nfs/dbraw/zinc/22/97/11/501229711.db2.gz NFBHFRWIMWBPOZ-ACJLOTCBSA-N 1 1 374.847 3.112 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000451170978 501249862 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3.079 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000451538398 501316580 /nfs/dbraw/zinc/31/65/80/501316580.db2.gz JFNZVVBWFUODKL-SOLBZPMBSA-N 1 1 350.528 3.398 20 30 FGEDMO CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C ZINC000451553580 501321660 /nfs/dbraw/zinc/32/16/60/501321660.db2.gz ZUXIFLAGDLHEEA-WOSRLPQWSA-N 1 1 361.511 3.182 20 30 FGEDMO CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C ZINC000451553580 501321663 /nfs/dbraw/zinc/32/16/63/501321663.db2.gz ZUXIFLAGDLHEEA-WOSRLPQWSA-N 1 1 361.511 3.182 20 30 FGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C ZINC000451556432 501323073 /nfs/dbraw/zinc/32/30/73/501323073.db2.gz DHIROEDLTXRMAR-YQQAZPJKSA-N 1 1 361.511 3.376 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C ZINC000451556432 501323075 /nfs/dbraw/zinc/32/30/75/501323075.db2.gz DHIROEDLTXRMAR-YQQAZPJKSA-N 1 1 361.511 3.376 20 30 FGEDMO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000453412437 501326143 /nfs/dbraw/zinc/32/61/43/501326143.db2.gz HMGGVWWLFGZASI-CAMMJAKZSA-N 1 1 371.529 3.157 20 30 FGEDMO C=CCn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000453426056 501329298 /nfs/dbraw/zinc/32/92/98/501329298.db2.gz PWWAWLRRMOLFKD-SFHVURJKSA-N 1 1 369.513 3.270 20 30 FGEDMO C=CCn1c(COc2ccccc2F)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000453428898 501330332 /nfs/dbraw/zinc/33/03/32/501330332.db2.gz ATSNVQBYZABEOI-UHFFFAOYSA-N 1 1 373.476 3.103 20 30 FGEDMO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453467866 501340420 /nfs/dbraw/zinc/34/04/20/501340420.db2.gz SEKKELYTSZRTHR-INIZCTEOSA-N 1 1 355.486 3.425 20 30 FGEDMO CC(C)(CC#N)CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000457984604 501350637 /nfs/dbraw/zinc/35/06/37/501350637.db2.gz DGNUJNICWKAIJG-GOSISDBHSA-N 1 1 367.415 3.497 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1Cl ZINC000451699512 501354799 /nfs/dbraw/zinc/35/47/99/501354799.db2.gz VJZJWFOUQJNCJL-UKPHBRMFSA-N 1 1 361.873 3.023 20 30 FGEDMO CC[C@@H]1C[N@@H+](CC)CCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000451730846 501361641 /nfs/dbraw/zinc/36/16/41/501361641.db2.gz QDFQNNGZDMPJGF-DLBZAZTESA-N 1 1 374.554 3.435 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](O)CC(C)(C)C2)c1 ZINC000451810943 501377598 /nfs/dbraw/zinc/37/75/98/501377598.db2.gz OGMVPRSPHVYZPU-QUCCMNQESA-N 1 1 371.525 3.422 20 30 FGEDMO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Cc3cccc(F)c3F)CC2)cc1 ZINC000451961923 501408984 /nfs/dbraw/zinc/40/89/84/501408984.db2.gz VDOWUOZTOZFBOD-HXUWFJFHSA-N 1 1 369.415 3.318 20 30 FGEDMO CCC(CC)[C@H](CNC(=O)Nc1cccc(CC#N)c1)[NH+]1CCOCC1 ZINC000455949616 501424034 /nfs/dbraw/zinc/42/40/34/501424034.db2.gz QWLRKGOMHQYBRS-IBGZPJMESA-N 1 1 358.486 3.011 20 30 FGEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000456061775 501446619 /nfs/dbraw/zinc/44/66/19/501446619.db2.gz KOGBGYYJFYTTKH-ABSDTBQOSA-N 1 1 353.510 3.316 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)NCCc1ccc(C#N)cc1)c1ccccc1Cl ZINC000596094202 506253861 /nfs/dbraw/zinc/25/38/61/506253861.db2.gz JRSKCXFDXNMUPM-LJQANCHMSA-N 1 1 370.884 3.356 20 30 FGEDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000456558534 501547829 /nfs/dbraw/zinc/54/78/29/501547829.db2.gz RTCCRVNWRCMSEX-MRXNPFEDSA-N 1 1 367.449 3.287 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000454725743 501616002 /nfs/dbraw/zinc/61/60/02/501616002.db2.gz CVUGFZAHBNTXMS-XDKFSHSGSA-N 1 1 360.889 3.467 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000454725743 501616004 /nfs/dbraw/zinc/61/60/04/501616004.db2.gz CVUGFZAHBNTXMS-XDKFSHSGSA-N 1 1 360.889 3.467 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454896797 501651545 /nfs/dbraw/zinc/65/15/45/501651545.db2.gz JAZFLCUBLMXBOO-GIVPXCGWSA-N 1 1 371.525 3.131 20 30 FGEDMO CC[N@@H+]1C[C@@H](C)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000459455941 501657235 /nfs/dbraw/zinc/65/72/35/501657235.db2.gz FHYVNZNJFPSGLT-IYBDPMFKSA-N 1 1 362.905 3.001 20 30 FGEDMO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000459468133 501659034 /nfs/dbraw/zinc/65/90/34/501659034.db2.gz QXVVKUQFXUKTAH-FPOVZHCZSA-N 1 1 363.461 3.164 20 30 FGEDMO Cc1nsc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1C#N ZINC000459550584 501675280 /nfs/dbraw/zinc/67/52/80/501675280.db2.gz JNINBFACXFDVFK-CQSZACIVSA-N 1 1 363.874 3.401 20 30 FGEDMO C[N@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000459552619 501675396 /nfs/dbraw/zinc/67/53/96/501675396.db2.gz WDXGFDSAAVFUFE-LBPRGKRZSA-N 1 1 370.375 3.310 20 30 FGEDMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000459558661 501676527 /nfs/dbraw/zinc/67/65/27/501676527.db2.gz GYRBOFWOIXULNS-GFCCVEGCSA-N 1 1 365.275 3.174 20 30 FGEDMO C=C(CC)CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000455054581 501679943 /nfs/dbraw/zinc/67/99/43/501679943.db2.gz QOOZUMPUCXIJKA-FQEVSTJZSA-N 1 1 371.525 3.181 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000467196838 501734642 /nfs/dbraw/zinc/73/46/42/501734642.db2.gz MARWJNSHNZIEFT-AZUAARDMSA-N 1 1 357.498 3.440 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000467196838 501734647 /nfs/dbraw/zinc/73/46/47/501734647.db2.gz MARWJNSHNZIEFT-AZUAARDMSA-N 1 1 357.498 3.440 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000588339611 506272769 /nfs/dbraw/zinc/27/27/69/506272769.db2.gz HUIFBGUMUXNUSC-YWZLYKJASA-N 1 1 366.440 3.160 20 30 FGEDMO C=CCOCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000470718126 501781189 /nfs/dbraw/zinc/78/11/89/501781189.db2.gz ZFXZGJSATVKQNV-UHFFFAOYSA-N 1 1 357.281 3.344 20 30 FGEDMO C=CCOCCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000470721674 501781695 /nfs/dbraw/zinc/78/16/95/501781695.db2.gz CYVUUOKCQHKQNS-UHFFFAOYSA-N 1 1 363.811 3.469 20 30 FGEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000460391078 501812629 /nfs/dbraw/zinc/81/26/29/501812629.db2.gz UPTHXKSVFMBSFI-IAGOWNOFSA-N 1 1 354.502 3.144 20 30 FGEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000481577498 501820799 /nfs/dbraw/zinc/82/07/99/501820799.db2.gz ZADUFJJYXLZQCN-HXUWFJFHSA-N 1 1 355.388 3.360 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC000478004216 501850684 /nfs/dbraw/zinc/85/06/84/501850684.db2.gz QWOOREFAROLJBF-IAGOWNOFSA-N 1 1 361.873 3.430 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC000478004216 501850689 /nfs/dbraw/zinc/85/06/89/501850689.db2.gz QWOOREFAROLJBF-IAGOWNOFSA-N 1 1 361.873 3.430 20 30 FGEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460589257 501869512 /nfs/dbraw/zinc/86/95/12/501869512.db2.gz ZPHUQHZBGZTNMH-SJORKVTESA-N 1 1 354.502 3.144 20 30 FGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000485696296 501904149 /nfs/dbraw/zinc/90/41/49/501904149.db2.gz UKCUSEIAYYCAMZ-YOEHRIQHSA-N 1 1 350.422 3.190 20 30 FGEDMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000485726968 501916795 /nfs/dbraw/zinc/91/67/95/501916795.db2.gz IOEBOZICRFJTQL-MRXNPFEDSA-N 1 1 369.490 3.291 20 30 FGEDMO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000460777704 501919327 /nfs/dbraw/zinc/91/93/27/501919327.db2.gz NARDEQWBVOBQMF-LJQANCHMSA-N 1 1 369.488 3.257 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+](CCO)CC2CCCCC2)cc1Cl ZINC000485858855 501964829 /nfs/dbraw/zinc/96/48/29/501964829.db2.gz OPWJJWWNMBPABV-UHFFFAOYSA-N 1 1 363.889 3.415 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000468251859 502006075 /nfs/dbraw/zinc/00/60/75/502006075.db2.gz QIEHJKFVABTYQK-INIZCTEOSA-N 1 1 366.465 3.455 20 30 FGEDMO C=CCc1ccc(OCC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(OC)c1 ZINC000461257058 502053556 /nfs/dbraw/zinc/05/35/56/502053556.db2.gz KXUGWHGYWPKSPN-SFHVURJKSA-N 1 1 360.498 3.135 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000588665146 506298228 /nfs/dbraw/zinc/29/82/28/506298228.db2.gz GPPWGOCRPBCWID-OAQYLSRUSA-N 1 1 360.461 3.071 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000472001257 502196491 /nfs/dbraw/zinc/19/64/91/502196491.db2.gz XHPMNOHACKTYSQ-FQEVSTJZSA-N 1 1 372.557 3.048 20 30 FGEDMO CCn1nc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000472079580 502223165 /nfs/dbraw/zinc/22/31/65/502223165.db2.gz VGFAELFOKRTWTG-LJQANCHMSA-N 1 1 373.460 3.213 20 30 FGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468925025 502232628 /nfs/dbraw/zinc/23/26/28/502232628.db2.gz JXCOZDFYPDBIQX-XHSDSOJGSA-N 1 1 366.465 3.309 20 30 FGEDMO CCCn1cc(C[N@@H+]2CCCN(c3nc(C)c(C#N)cc3Cl)CC2)cn1 ZINC000461951713 502249498 /nfs/dbraw/zinc/24/94/98/502249498.db2.gz YIWNMRIXZXRZID-UHFFFAOYSA-N 1 1 372.904 3.234 20 30 FGEDMO CCCn1cc(C[N@H+]2CCCN(c3nc(C)c(C#N)cc3Cl)CC2)cn1 ZINC000461951713 502249503 /nfs/dbraw/zinc/24/95/03/502249503.db2.gz YIWNMRIXZXRZID-UHFFFAOYSA-N 1 1 372.904 3.234 20 30 FGEDMO COc1cc(C[N@@H+]2CC[C@@H](OC)C2)ccc1OCc1cccc(C#N)c1 ZINC000483039777 502253712 /nfs/dbraw/zinc/25/37/12/502253712.db2.gz YEGSSKMFJIAOJQ-LJQANCHMSA-N 1 1 352.434 3.367 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000472174592 502257979 /nfs/dbraw/zinc/25/79/79/502257979.db2.gz QZARZRFAOUZKAK-IBGZPJMESA-N 1 1 359.514 3.275 20 30 FGEDMO Cc1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)ccc1C#N ZINC000486810500 502272207 /nfs/dbraw/zinc/27/22/07/502272207.db2.gz RSRHBDYFYUYDCK-JOCHJYFZSA-N 1 1 359.473 3.416 20 30 FGEDMO Cc1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)ccc1C#N ZINC000486810500 502272211 /nfs/dbraw/zinc/27/22/11/502272211.db2.gz RSRHBDYFYUYDCK-JOCHJYFZSA-N 1 1 359.473 3.416 20 30 FGEDMO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)ccn1 ZINC000475774959 502287697 /nfs/dbraw/zinc/28/76/97/502287697.db2.gz WPQVLNUUNGIJJQ-IBGZPJMESA-N 1 1 368.868 3.391 20 30 FGEDMO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)ccn1 ZINC000475774959 502287700 /nfs/dbraw/zinc/28/77/00/502287700.db2.gz WPQVLNUUNGIJJQ-IBGZPJMESA-N 1 1 368.868 3.391 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000472272238 502293705 /nfs/dbraw/zinc/29/37/05/502293705.db2.gz DDQFVTZLPUAHCF-AWEZNQCLSA-N 1 1 360.502 3.072 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000472308873 502308883 /nfs/dbraw/zinc/30/88/83/502308883.db2.gz BDQVSOAHWHHQIG-APWZRJJASA-N 1 1 350.422 3.134 20 30 FGEDMO C[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1c1cccc(F)c1 ZINC000472358850 502328599 /nfs/dbraw/zinc/32/85/99/502328599.db2.gz JPHFSVMAKRWVLG-BTYIYWSLSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)[C@@H]1c1cccc(F)c1 ZINC000472358850 502328604 /nfs/dbraw/zinc/32/86/04/502328604.db2.gz JPHFSVMAKRWVLG-BTYIYWSLSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@H]1c1ccccc1 ZINC000462277980 502378214 /nfs/dbraw/zinc/37/82/14/502378214.db2.gz PDFAEWSOYGKIGS-MAODMQOUSA-N 1 1 373.456 3.316 20 30 FGEDMO CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CC[N@H+](C2CC2)C1 ZINC000469389278 502396367 /nfs/dbraw/zinc/39/63/67/502396367.db2.gz UGHUZMXBJQZVMG-KRWDZBQOSA-N 1 1 350.466 3.254 20 30 FGEDMO C=CC[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccccc1 ZINC000483519041 502419556 /nfs/dbraw/zinc/41/95/56/502419556.db2.gz OONBEPCKVGJIOM-UHFFFAOYSA-N 1 1 358.507 3.136 20 30 FGEDMO C=CC[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccccc1 ZINC000483519041 502419561 /nfs/dbraw/zinc/41/95/61/502419561.db2.gz OONBEPCKVGJIOM-UHFFFAOYSA-N 1 1 358.507 3.136 20 30 FGEDMO C[C@@H]1C[N@H+](CCCCNC(=O)C[C@H](CC#N)c2ccccc2)C[C@H](C)O1 ZINC000476306713 502449930 /nfs/dbraw/zinc/44/99/30/502449930.db2.gz RTOSYTSCVOYBQW-NSHGMRRFSA-N 1 1 357.498 3.080 20 30 FGEDMO N#CCc1cccc2c1CCN(C(=O)N[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000599100806 506322318 /nfs/dbraw/zinc/32/23/18/506322318.db2.gz OUBWQYZOVUQUPF-IBGZPJMESA-N 1 1 366.509 3.227 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000469740797 502527298 /nfs/dbraw/zinc/52/72/98/502527298.db2.gz ANTPLKONFRCBJJ-SUMWQHHRSA-N 1 1 370.840 3.087 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000469740797 502527300 /nfs/dbraw/zinc/52/73/00/502527300.db2.gz ANTPLKONFRCBJJ-SUMWQHHRSA-N 1 1 370.840 3.087 20 30 FGEDMO C=CCOCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473503274 502613706 /nfs/dbraw/zinc/61/37/06/502613706.db2.gz MRDRTHXXTCMSPP-QFIPXVFZSA-N 1 1 356.510 3.484 20 30 FGEDMO Cc1ccc2ncc(C#N)c(NCCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000488119956 502632638 /nfs/dbraw/zinc/63/26/38/502632638.db2.gz VBDRXQQNTXMSTK-CALCHBBNSA-N 1 1 352.482 3.138 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000473623111 502657838 /nfs/dbraw/zinc/65/78/38/502657838.db2.gz 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ZINC000500013599 503533053 /nfs/dbraw/zinc/53/30/53/503533053.db2.gz LOUVXRSPKRLMTI-MRXNPFEDSA-N 1 1 374.282 3.216 20 30 FGEDMO C=CCc1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc(OC)c1O ZINC000508637065 503535510 /nfs/dbraw/zinc/53/55/10/503535510.db2.gz NDUTYAKWFXUAQZ-UHFFFAOYSA-N 1 1 366.461 3.393 20 30 FGEDMO N#CCc1ccc(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512438412 503551681 /nfs/dbraw/zinc/55/16/81/503551681.db2.gz DXUANVRHECYJIU-XMMPIXPASA-N 1 1 374.532 3.145 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+](CCCO)[C@H]3CCc4ccccc43)o2)c1 ZINC000494548911 503562212 /nfs/dbraw/zinc/56/22/12/503562212.db2.gz OOHGAPWNJSQQHU-FQEVSTJZSA-N 1 1 374.444 3.480 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+](CCCO)[C@H]3CCc4ccccc43)o2)c1 ZINC000494548911 503562217 /nfs/dbraw/zinc/56/22/17/503562217.db2.gz OOHGAPWNJSQQHU-FQEVSTJZSA-N 1 1 374.444 3.480 20 30 FGEDMO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508825804 503571985 /nfs/dbraw/zinc/57/19/85/503571985.db2.gz GFGOXOWVQHWHRG-PBWTXFEYSA-N 1 1 371.529 3.015 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000512507333 503572598 /nfs/dbraw/zinc/57/25/98/503572598.db2.gz YDSKUZSMYZUDSB-OAHLLOKOSA-N 1 1 364.314 3.439 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000512507333 503572601 /nfs/dbraw/zinc/57/26/01/503572601.db2.gz YDSKUZSMYZUDSB-OAHLLOKOSA-N 1 1 364.314 3.439 20 30 FGEDMO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508856852 503579443 /nfs/dbraw/zinc/57/94/43/503579443.db2.gz MKAYGFKRDGDWQZ-UHFFFAOYSA-N 1 1 369.538 3.349 20 30 FGEDMO CCC[N@@H+](CCc1cccc(F)c1)CC(=O)NCc1cccc(C#N)c1 ZINC000500230048 503583059 /nfs/dbraw/zinc/58/30/59/503583059.db2.gz QJZYMBCVIPBSHF-UHFFFAOYSA-N 1 1 353.441 3.268 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494656444 503586218 /nfs/dbraw/zinc/58/62/18/503586218.db2.gz VHVJCZNVYIJQIY-PXNSSMCTSA-N 1 1 355.482 3.213 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494656444 503586222 /nfs/dbraw/zinc/58/62/22/503586222.db2.gz VHVJCZNVYIJQIY-PXNSSMCTSA-N 1 1 355.482 3.213 20 30 FGEDMO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000508916515 503600068 /nfs/dbraw/zinc/60/00/68/503600068.db2.gz GQFZABQFRCLFFV-IBGZPJMESA-N 1 1 351.498 3.290 20 30 FGEDMO C=CCn1c(-c2ccc(C)s2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508957187 503607621 /nfs/dbraw/zinc/60/76/21/503607621.db2.gz XHNAJEZPPXCROH-UHFFFAOYSA-N 1 1 369.494 3.416 20 30 FGEDMO CC[C@@H](C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000599237835 506383492 /nfs/dbraw/zinc/38/34/92/506383492.db2.gz MFFRVSHXKVWVEW-RCCFBDPRSA-N 1 1 353.491 3.382 20 30 FGEDMO C=CC[N@H+](Cc1c(C)nn(CC)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536676355 503673998 /nfs/dbraw/zinc/67/39/98/503673998.db2.gz NEFVQRAYVVMZOT-MRXNPFEDSA-N 1 1 365.485 3.245 20 30 FGEDMO C=CC[N@@H+](Cc1c(C)nc2ccccn21)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536676407 503675056 /nfs/dbraw/zinc/67/50/56/503675056.db2.gz BFFBMJGZIZUVFH-KRWDZBQOSA-N 1 1 373.464 3.368 20 30 FGEDMO CCN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000517236627 503688711 /nfs/dbraw/zinc/68/87/11/503688711.db2.gz CAJQXLQQKFOCPC-DYESRHJHSA-N 1 1 374.492 3.258 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546259498 503689853 /nfs/dbraw/zinc/68/98/53/503689853.db2.gz UMPRKEOLZAIDRU-UHFFFAOYSA-N 1 1 372.476 3.078 20 30 FGEDMO C=CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528662 503763669 /nfs/dbraw/zinc/76/36/69/503763669.db2.gz BUXOXVVUKUTJHB-HNNXBMFYSA-N 1 1 362.412 3.422 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528662 503763670 /nfs/dbraw/zinc/76/36/70/503763670.db2.gz BUXOXVVUKUTJHB-HNNXBMFYSA-N 1 1 362.412 3.422 20 30 FGEDMO N#C[C@@H]1CSCCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000540433479 503770439 /nfs/dbraw/zinc/77/04/39/503770439.db2.gz TZOFYFRGQLFGEB-HXUWFJFHSA-N 1 1 365.502 3.156 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)c1F ZINC000537046671 503787887 /nfs/dbraw/zinc/78/78/87/503787887.db2.gz ZNLIDCDBTXLCNJ-UHFFFAOYSA-N 1 1 353.397 3.254 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530025742 503797413 /nfs/dbraw/zinc/79/74/13/503797413.db2.gz QYAVLIZGQHQJMQ-QUCCMNQESA-N 1 1 355.482 3.095 20 30 FGEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543560555 503812327 /nfs/dbraw/zinc/81/23/27/503812327.db2.gz IBFXAHBTHOQQTD-VQTJNVASSA-N 1 1 367.424 3.488 20 30 FGEDMO C=CCOc1cccnc1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000537156331 503821193 /nfs/dbraw/zinc/82/11/93/503821193.db2.gz GRGRGHDUZDLHHV-KRWDZBQOSA-N 1 1 353.466 3.287 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1(O)CCC1 ZINC000546799211 503882984 /nfs/dbraw/zinc/88/29/84/503882984.db2.gz IQVFLNYRLXYRHE-UHFFFAOYSA-N 1 1 361.511 3.064 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CC#N)CC1 ZINC000543778365 503889667 /nfs/dbraw/zinc/88/96/67/503889667.db2.gz DNAZWXSENBBWOT-FXAWDEMLSA-N 1 1 354.498 3.232 20 30 FGEDMO COc1cc(C)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1 ZINC000543782167 503890247 /nfs/dbraw/zinc/89/02/47/503890247.db2.gz MLQJRIBYEJFMOH-UHFFFAOYSA-N 1 1 350.466 3.291 20 30 FGEDMO N#CCC1CC[NH+]([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000543811524 503902886 /nfs/dbraw/zinc/90/28/86/503902886.db2.gz UHSLICHVUUXZKD-INIZCTEOSA-N 1 1 367.371 3.316 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000533670978 503917232 /nfs/dbraw/zinc/91/72/32/503917232.db2.gz TXEPBHCWNPNYRI-DDUYZKFLSA-N 1 1 361.530 3.054 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000530335433 503929507 /nfs/dbraw/zinc/92/95/07/503929507.db2.gz IJZDAACOVLAHQS-CQSZACIVSA-N 1 1 361.873 3.134 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537561299 503952840 /nfs/dbraw/zinc/95/28/40/503952840.db2.gz LHNFCKZYADZJKV-SFHVURJKSA-N 1 1 373.545 3.456 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537561299 503952843 /nfs/dbraw/zinc/95/28/43/503952843.db2.gz LHNFCKZYADZJKV-SFHVURJKSA-N 1 1 373.545 3.456 20 30 FGEDMO N#Cc1ccc(C2([NH2+]Cc3nccn3CC(F)(F)F)CCOCC2)cc1 ZINC000527812984 503957291 /nfs/dbraw/zinc/95/72/91/503957291.db2.gz VEMHBRNALLYCAG-UHFFFAOYSA-N 1 1 364.371 3.113 20 30 FGEDMO C=CCc1cc(CN2CC[N@@H+](CCOC)[C@@H](CCC)C2)cc(OC)c1O ZINC000537689134 504006257 /nfs/dbraw/zinc/00/62/57/504006257.db2.gz FMXUJPNNEPVPOH-IBGZPJMESA-N 1 1 362.514 3.062 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000544102691 504008165 /nfs/dbraw/zinc/00/81/65/504008165.db2.gz BLLYWOXBHBEJCS-IRXDYDNUSA-N 1 1 350.413 3.092 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000544102691 504008171 /nfs/dbraw/zinc/00/81/71/504008171.db2.gz BLLYWOXBHBEJCS-IRXDYDNUSA-N 1 1 350.413 3.092 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3ccc(C#N)nc3)cc2)C1 ZINC000527966291 504018821 /nfs/dbraw/zinc/01/88/21/504018821.db2.gz LZGIKTZBAUNJOQ-KRWDZBQOSA-N 1 1 362.477 3.044 20 30 FGEDMO Cc1c(Cl)cnc(NCCc2[nH+]ccn2Cc2ccccc2)c1C#N ZINC000541280064 504071838 /nfs/dbraw/zinc/07/18/38/504071838.db2.gz NBXXOMQINVDQSV-UHFFFAOYSA-N 1 1 351.841 3.236 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541316318 504085781 /nfs/dbraw/zinc/08/57/81/504085781.db2.gz GUAPCBHRKMEWQW-UTKZUKDTSA-N 1 1 369.509 3.234 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541316318 504085786 /nfs/dbraw/zinc/08/57/86/504085786.db2.gz GUAPCBHRKMEWQW-UTKZUKDTSA-N 1 1 369.509 3.234 20 30 FGEDMO CC(C)OC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000530926391 504133242 /nfs/dbraw/zinc/13/32/42/504133242.db2.gz YNUANUITGAKPKU-MRXNPFEDSA-N 1 1 361.461 3.350 20 30 FGEDMO C=C(C)[C@@H](CC(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)OCC ZINC000534418162 504136781 /nfs/dbraw/zinc/13/67/81/504136781.db2.gz RCNJASCPTMVDCZ-YLJYHZDGSA-N 1 1 360.498 3.272 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)o2)c1 ZINC000538191393 504156301 /nfs/dbraw/zinc/15/63/01/504156301.db2.gz SXJOZJLVPNUOIY-ICSRJNTNSA-N 1 1 360.417 3.476 20 30 FGEDMO CCOC(=O)c1sc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)nc1C ZINC000544513106 504157317 /nfs/dbraw/zinc/15/73/17/504157317.db2.gz OVEOSNOZHBWTLE-ZDUSSCGKSA-N 1 1 359.451 3.230 20 30 FGEDMO O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000528341524 504177997 /nfs/dbraw/zinc/17/79/97/504177997.db2.gz WWNRVCVKJRIZLK-QGZVFWFLSA-N 1 1 350.443 3.185 20 30 FGEDMO C=CCCOCCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000538263845 504181076 /nfs/dbraw/zinc/18/10/76/504181076.db2.gz HIOODTGRGXARDY-UHFFFAOYSA-N 1 1 369.509 3.356 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000538281286 504187157 /nfs/dbraw/zinc/18/71/57/504187157.db2.gz RMUIJXMTZBAAQB-CMKODMSKSA-N 1 1 359.514 3.320 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000538281286 504187158 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COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592521884 507693546 /nfs/dbraw/zinc/69/35/46/507693546.db2.gz CPLNORGAJTYXHZ-OAQYLSRUSA-N 1 1 368.481 3.164 20 30 FGEDMO CCCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCc2ncsc2C1 ZINC000592528299 507696556 /nfs/dbraw/zinc/69/65/56/507696556.db2.gz HTGMNGAFSFNIGI-MRXNPFEDSA-N 1 1 366.494 3.217 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595825981 507701795 /nfs/dbraw/zinc/70/17/95/507701795.db2.gz IGKJGQUBRNEUFQ-MAUKXSAKSA-N 1 1 366.465 3.306 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595825981 507701799 /nfs/dbraw/zinc/70/17/99/507701799.db2.gz IGKJGQUBRNEUFQ-MAUKXSAKSA-N 1 1 366.465 3.306 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3COC[C@@H]3C2)sc2c1CCCCC2 ZINC000595830873 507704653 /nfs/dbraw/zinc/70/46/53/507704653.db2.gz MSOOSSXMQUVELK-CABCVRRESA-N 1 1 373.522 3.186 20 30 FGEDMO COc1cc(N[C@H]2CCC[N@@H+](Cc3cccc(C#N)n3)C2)cc(OC)c1 ZINC000602479452 507720776 /nfs/dbraw/zinc/72/07/76/507720776.db2.gz LPCBNKYVNFQLTE-KRWDZBQOSA-N 1 1 352.438 3.047 20 30 FGEDMO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000611550670 507734056 /nfs/dbraw/zinc/73/40/56/507734056.db2.gz IGGHUMHKANGCPP-OAQYLSRUSA-N 1 1 353.441 3.477 20 30 FGEDMO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000611552148 507735257 /nfs/dbraw/zinc/73/52/57/507735257.db2.gz QJVBODDHBRCPPV-HXUWFJFHSA-N 1 1 357.404 3.226 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3OC)C2)s1 ZINC000595918020 507744901 /nfs/dbraw/zinc/74/49/01/507744901.db2.gz HWXBAPNRMTXUDG-HNNXBMFYSA-N 1 1 371.462 3.190 20 30 FGEDMO CC(=O)N1CC[NH+](Cc2ccccc2N[C@H](C)c2cccc(C#N)c2)CC1 ZINC000615092365 507751097 /nfs/dbraw/zinc/75/10/97/507751097.db2.gz YCMSIYLBWMQZAR-QGZVFWFLSA-N 1 1 362.477 3.395 20 30 FGEDMO C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722615 601043551 /nfs/dbraw/zinc/04/35/51/601043551.db2.gz FZRVWQOVGPQRTD-TZIWHRDSSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722615 601043553 /nfs/dbraw/zinc/04/35/53/601043553.db2.gz FZRVWQOVGPQRTD-TZIWHRDSSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722615 601043556 /nfs/dbraw/zinc/04/35/56/601043556.db2.gz FZRVWQOVGPQRTD-TZIWHRDSSA-N 1 1 363.461 3.138 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000822801902 606452205 /nfs/dbraw/zinc/45/22/05/606452205.db2.gz QODZKHUVYROBQD-RTBURBONSA-N 1 1 374.448 3.017 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1ccccc1-c1nn[nH]n1 ZINC000822801902 606452207 /nfs/dbraw/zinc/45/22/07/606452207.db2.gz QODZKHUVYROBQD-RTBURBONSA-N 1 1 374.448 3.017 20 30 FGEDMO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000826169567 608367491 /nfs/dbraw/zinc/36/74/91/608367491.db2.gz XAWFCITULCRSHR-RBUKOAKNSA-N 1 1 374.448 3.147 20 30 FGEDMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000826169567 608367492 /nfs/dbraw/zinc/36/74/92/608367492.db2.gz XAWFCITULCRSHR-RBUKOAKNSA-N 1 1 374.448 3.147 20 30 FGEDMO C#CCOc1ccccc1C[N@H+](CC=C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823862185 608631144 /nfs/dbraw/zinc/63/11/44/608631144.db2.gz ZYSCWEUQELTUIZ-UHFFFAOYSA-N 1 1 359.433 3.067 20 30 FGEDMO C#CCOc1ccccc1C[N@@H+](CC=C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823862185 608631145 /nfs/dbraw/zinc/63/11/45/608631145.db2.gz ZYSCWEUQELTUIZ-UHFFFAOYSA-N 1 1 359.433 3.067 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000823915443 608633808 /nfs/dbraw/zinc/63/38/08/608633808.db2.gz YCNPHBYZNXRSMF-UHFFFAOYSA-N 1 1 364.409 3.272 20 30 FGEDMO C=C(Br)C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000134401789 704822040 /nfs/dbraw/zinc/82/20/40/704822040.db2.gz HSZXNXKYLZDYPL-UHFFFAOYSA-N 1 1 363.049 3.219 20 30 FGEDMO C#CCCCNc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21 ZINC000172779160 705429160 /nfs/dbraw/zinc/42/91/60/705429160.db2.gz PYMNXNUTCVZOKC-UHFFFAOYSA-N 1 1 360.483 3.063 20 30 FGEDMO C[C@@H](NC(=[NH2+])NCc1n[nH]c(C2CC2)n1)c1ccc(Cl)cc1Cl ZINC000263200878 713740422 /nfs/dbraw/zinc/74/04/22/713740422.db2.gz XHRMMWLNOUAFLF-MRVPVSSYSA-N 1 1 353.257 3.154 20 30 FGEDMO CCN(CC)[C@H](CNC(=[NH2+])NCCc1cccs1)Cc1ccccc1 ZINC000303874385 713789644 /nfs/dbraw/zinc/78/96/44/713789644.db2.gz DAVHSBRFHXVQNP-SFHVURJKSA-N 1 1 358.555 3.148 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000328137907 713824328 /nfs/dbraw/zinc/82/43/28/713824328.db2.gz ZAQMCSAGQQXUMF-UHFFFAOYSA-N 1 1 359.267 3.287 20 30 FGEDMO COc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000328783566 713825771 /nfs/dbraw/zinc/82/57/71/713825771.db2.gz GLWNRXREHCHGDW-GJZGRUSLSA-N 1 1 368.275 3.220 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC2(CCC[N@H+]2C)CC1 ZINC000374633620 713935632 /nfs/dbraw/zinc/93/56/32/713935632.db2.gz YSTFALPQXLYBCY-QGZVFWFLSA-N 1 1 361.555 3.211 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000375014493 713960689 /nfs/dbraw/zinc/96/06/89/713960689.db2.gz TXSFCJQRUYPDJG-HUUCEWRRSA-N 1 1 361.873 3.289 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000375014493 713960690 /nfs/dbraw/zinc/96/06/90/713960690.db2.gz TXSFCJQRUYPDJG-HUUCEWRRSA-N 1 1 361.873 3.289 20 30 FGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cccc(CN3CCSCC3)c2)C1 ZINC000625705126 715776828 /nfs/dbraw/zinc/77/68/28/715776828.db2.gz SDEUMUGSBWUTKT-KRWDZBQOSA-N 1 1 359.539 3.072 20 30 FGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cccc(CN3CCSCC3)c2)C1 ZINC000625705126 715776831 /nfs/dbraw/zinc/77/68/31/715776831.db2.gz SDEUMUGSBWUTKT-KRWDZBQOSA-N 1 1 359.539 3.072 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(OC)c1 ZINC000625773903 715787772 /nfs/dbraw/zinc/78/77/72/715787772.db2.gz VWGZIDBIQFFHML-KURKYZTESA-N 1 1 363.523 3.133 20 30 FGEDMO COc1ccc(NC(=S)NN=C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000779759657 724425644 /nfs/dbraw/zinc/42/56/44/724425644.db2.gz XJLOKVWWZAMBAD-UHFFFAOYSA-N 1 1 374.432 3.386 20 30 FGEDMO C=CCSc1ccccc1NC(=O)Cn1cc(C[NH+](CC)CC)nn1 ZINC000640859781 717821563 /nfs/dbraw/zinc/82/15/63/717821563.db2.gz GMYZRQVESKDTEJ-UHFFFAOYSA-N 1 1 359.499 3.037 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)c2cc(Cl)c(C)cc2Br)CC1 ZINC000804330751 724505133 /nfs/dbraw/zinc/50/51/33/724505133.db2.gz DEBVLZCAEORWAL-UHFFFAOYSA-N 1 1 369.690 3.192 20 30 FGEDMO C#CCCCS(=O)(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000804964231 724569184 /nfs/dbraw/zinc/56/91/84/724569184.db2.gz YJLDRYZLABRENY-UHFFFAOYSA-N 1 1 362.539 3.284 20 30 FGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C#N)nc(C)n2)CC3)cs1 ZINC001164698581 719816381 /nfs/dbraw/zinc/81/63/81/719816381.db2.gz FEXARNSCXBYEMR-UHFFFAOYSA-N 1 1 368.510 3.057 20 30 FGEDMO C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)C1 ZINC000660674135 720098165 /nfs/dbraw/zinc/09/81/65/720098165.db2.gz CURQFLQYMJCMMI-IPMKNSEASA-N 1 1 351.535 3.121 20 30 FGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C)c(C#N)cc1Cl)C2 ZINC001164815152 720199305 /nfs/dbraw/zinc/19/93/05/720199305.db2.gz WOAGGOPVGBQJDU-XLIONFOSSA-N 1 1 374.916 3.100 20 30 FGEDMO C=CC[N@H+](Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1)C(C)(C)C ZINC000661760328 720315582 /nfs/dbraw/zinc/31/55/82/720315582.db2.gz RBPLUCICNCNQKF-UHFFFAOYSA-N 1 1 357.380 3.328 20 30 FGEDMO N#Cc1ccc2ccnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726004 720369532 /nfs/dbraw/zinc/36/95/32/720369532.db2.gz OIRUKXVFRLFRHT-NHCUHLMSSA-N 1 1 355.445 3.355 20 30 FGEDMO N#Cc1c2c(cnc1N1CC[C@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)CCCC2 ZINC001164724813 720483124 /nfs/dbraw/zinc/48/31/24/720483124.db2.gz HWCGVUZXCRWWHJ-SFTDATJTSA-N 1 1 359.477 3.080 20 30 FGEDMO C=CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@H](C)COC ZINC000664209228 720609233 /nfs/dbraw/zinc/60/92/33/720609233.db2.gz CKYIYBOLKZFVER-RYRKJORJSA-N 1 1 365.543 3.364 20 30 FGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000665391033 720764015 /nfs/dbraw/zinc/76/40/15/720764015.db2.gz VFKJUALADFJXCJ-QZTJIDSGSA-N 1 1 351.535 3.121 20 30 FGEDMO C=CCCC1(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCC1 ZINC000665588322 720788885 /nfs/dbraw/zinc/78/88/85/720788885.db2.gz QGZGEWKKEFJLNK-UHFFFAOYSA-N 1 1 351.535 3.001 20 30 FGEDMO Cc1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1C#N ZINC001165028034 721803035 /nfs/dbraw/zinc/80/30/35/721803035.db2.gz XWZOFSVVVGPVGY-YYWHXJBOSA-N 1 1 361.493 3.394 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(F)cc3C#N)C[C@H]21 ZINC001165019522 721804400 /nfs/dbraw/zinc/80/44/00/721804400.db2.gz CQCIJMCVJKNKKG-CWFSZBLJSA-N 1 1 365.456 3.224 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(F)c3C#N)C[C@H]21 ZINC001165025941 721816246 /nfs/dbraw/zinc/81/62/46/721816246.db2.gz OJXCRBTVBKAAET-QKYXUNIQSA-N 1 1 365.456 3.224 20 30 FGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(NS(C)(=O)=O)c1 ZINC000784349792 724845751 /nfs/dbraw/zinc/84/57/51/724845751.db2.gz AVFREUJBGRHCQC-LBPRGKRZSA-N 1 1 363.870 3.434 20 30 FGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(NS(C)(=O)=O)c1 ZINC000784349761 724845757 /nfs/dbraw/zinc/84/57/57/724845757.db2.gz AVFREUJBGRHCQC-GFCCVEGCSA-N 1 1 363.870 3.434 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1csc(-c2ccccc2OC)n1 ZINC000729812394 722462795 /nfs/dbraw/zinc/46/27/95/722462795.db2.gz UNXSCWQEYHPOCY-CQSZACIVSA-N 1 1 356.447 3.073 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1csc(-c2ccccc2OC)n1 ZINC000729812394 722462796 /nfs/dbraw/zinc/46/27/96/722462796.db2.gz UNXSCWQEYHPOCY-CQSZACIVSA-N 1 1 356.447 3.073 20 30 FGEDMO C#CC[N@H+](CCc1cnn(C)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000740877488 722538986 /nfs/dbraw/zinc/53/89/86/722538986.db2.gz QXXYWWUCEDJMEK-KRWDZBQOSA-N 1 1 374.282 3.184 20 30 FGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cnc3ccc(Br)cn23)c1 ZINC000742382047 722556652 /nfs/dbraw/zinc/55/66/52/722556652.db2.gz ZCVOXSHKABDWMJ-UHFFFAOYSA-N 1 1 359.202 3.397 20 30 FGEDMO CC(=NN1CC[NH+](C)CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1C ZINC000743417019 722567274 /nfs/dbraw/zinc/56/72/74/722567274.db2.gz FAGPSPHLIUOYTD-UHFFFAOYSA-N 1 1 366.296 3.459 20 30 FGEDMO CN1CCCc2cc(C=[NH+]NC(=S)NCCc3cccs3)ccc21 ZINC000748033181 722672078 /nfs/dbraw/zinc/67/20/78/722672078.db2.gz GEBQUKRZQMURPF-UHFFFAOYSA-N 1 1 358.536 3.171 20 30 FGEDMO Clc1ccc(Br)cc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753930056 722918661 /nfs/dbraw/zinc/91/86/61/722918661.db2.gz UFEVPYKKQVHXEI-STQMWFEESA-N 1 1 355.667 3.296 20 30 FGEDMO Clc1ccc(Cl)c2c1OCCC2=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936641 722919156 /nfs/dbraw/zinc/91/91/56/722919156.db2.gz AEHZCFOPYPEHFC-VXGBXAGGSA-N 1 1 353.253 3.340 20 30 FGEDMO CCOC(=O)CC[N@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000754994118 722949028 /nfs/dbraw/zinc/94/90/28/722949028.db2.gz VOVJVJXZPKSSCX-UHFFFAOYSA-N 1 1 351.244 3.238 20 30 FGEDMO CCOC(=O)CC[N@@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000754994118 722949029 /nfs/dbraw/zinc/94/90/29/722949029.db2.gz VOVJVJXZPKSSCX-UHFFFAOYSA-N 1 1 351.244 3.238 20 30 FGEDMO C#CC[C@@H](NC(=O)NCC[N@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC000755776621 722956777 /nfs/dbraw/zinc/95/67/77/722956777.db2.gz GPXZXJANQFQHMV-MRXNPFEDSA-N 1 1 355.404 3.325 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(Br)cn1C(C)C ZINC000756551882 722966665 /nfs/dbraw/zinc/96/66/65/722966665.db2.gz HJJLTIIPVVKJFQ-CQSZACIVSA-N 1 1 353.260 3.086 20 30 FGEDMO CC(C)[N@@H+](Cc1cccc(Br)c1)Cn1cccc(C#N)c1=O ZINC000758191503 722985894 /nfs/dbraw/zinc/98/58/94/722985894.db2.gz JPSICPFSPTYOSP-UHFFFAOYSA-N 1 1 360.255 3.351 20 30 FGEDMO CC(C)[N@H+](Cc1cccc(Br)c1)Cn1cccc(C#N)c1=O ZINC000758191503 722985895 /nfs/dbraw/zinc/98/58/95/722985895.db2.gz JPSICPFSPTYOSP-UHFFFAOYSA-N 1 1 360.255 3.351 20 30 FGEDMO C#CCSCCNC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000761701359 723177539 /nfs/dbraw/zinc/17/75/39/723177539.db2.gz MSHFFVCNTCYYKR-MJGOQNOKSA-N 1 1 359.539 3.220 20 30 FGEDMO C[C@]12CC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C[C@H]1C2(Cl)Cl ZINC000792899102 723378752 /nfs/dbraw/zinc/37/87/52/723378752.db2.gz CRCBOKAFUHBPHV-UAGQMJEPSA-N 1 1 369.292 3.008 20 30 FGEDMO C#C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)c1ccc(Cl)cc1 ZINC000794068993 723487668 /nfs/dbraw/zinc/48/76/68/723487668.db2.gz GYJYUDSZPANUKA-RTBURBONSA-N 1 1 353.853 3.190 20 30 FGEDMO C#C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)c1ccc(Cl)cc1 ZINC000794068993 723487670 /nfs/dbraw/zinc/48/76/70/723487670.db2.gz GYJYUDSZPANUKA-RTBURBONSA-N 1 1 353.853 3.190 20 30 FGEDMO C[NH+](C)Cc1cnc(/C=C2/S/C(=N/C3CCCCC3)NC2=O)s1 ZINC000794694817 723541349 /nfs/dbraw/zinc/54/13/49/723541349.db2.gz HSECKLUIOJRWOT-MDWZMJQESA-N 1 1 350.513 3.097 20 30 FGEDMO Oc1c(Cl)cc(Cl)cc1/C=N/C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000767687155 723628880 /nfs/dbraw/zinc/62/88/80/723628880.db2.gz GONXHFGRGBGUCD-YATXNGRTSA-N 1 1 357.281 3.496 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796339337 723633328 /nfs/dbraw/zinc/63/33/28/723633328.db2.gz VHQQSSRAVILDEI-TZMCWYRMSA-N 1 1 362.779 3.235 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796339337 723633329 /nfs/dbraw/zinc/63/33/29/723633329.db2.gz VHQQSSRAVILDEI-TZMCWYRMSA-N 1 1 362.779 3.235 20 30 FGEDMO C#C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccc(Cl)cc1F ZINC000796597839 723645678 /nfs/dbraw/zinc/64/56/78/723645678.db2.gz AJQOZEQDQSFQNP-DYVFJYSZSA-N 1 1 351.853 3.327 20 30 FGEDMO CSCCNC(=S)NN=C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000769605442 723690584 /nfs/dbraw/zinc/69/05/84/723690584.db2.gz OUKABLBVBLRVJH-UHFFFAOYSA-N 1 1 370.975 3.119 20 30 FGEDMO CC1(C)CCCC[C@@H]1N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000773126994 723777228 /nfs/dbraw/zinc/77/72/28/723777228.db2.gz XRRBJTPRYGBYGY-ZDUSSCGKSA-N 1 1 350.898 3.205 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)C1=O ZINC000799128241 723989946 /nfs/dbraw/zinc/98/99/46/723989946.db2.gz NOZZJWILWAXRPP-ZWKOTPCHSA-N 1 1 356.491 3.071 20 30 FGEDMO C#C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000775793536 724062140 /nfs/dbraw/zinc/06/21/40/724062140.db2.gz MBZVGLDFLOVVLQ-OCCSQVGLSA-N 1 1 360.763 3.068 20 30 FGEDMO CN1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC000800895578 724244495 /nfs/dbraw/zinc/24/44/95/724244495.db2.gz IGFRTDRMZLDUDW-UHFFFAOYSA-N 1 1 354.885 3.253 20 30 FGEDMO N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000801598241 724318331 /nfs/dbraw/zinc/31/83/31/724318331.db2.gz XHPDTUGCMWTHPJ-VQTJNVASSA-N 1 1 355.869 3.256 20 30 FGEDMO C[C@H](C#N)OCCN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000801938120 724348221 /nfs/dbraw/zinc/34/82/21/724348221.db2.gz CLAKMUIFTGRTQQ-RDTXWAMCSA-N 1 1 351.441 3.399 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1F ZINC000805183593 725055079 /nfs/dbraw/zinc/05/50/79/725055079.db2.gz DNWUCJXZXNBZCA-SUMWQHHRSA-N 1 1 351.853 3.183 20 30 FGEDMO C#Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)s2)cc1 ZINC000809610332 725252059 /nfs/dbraw/zinc/25/20/59/725252059.db2.gz QFUJPCGYBAFEDW-UHFFFAOYSA-N 1 1 362.520 3.050 20 30 FGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000811813575 725381199 /nfs/dbraw/zinc/38/11/99/725381199.db2.gz CDKPOTQNYCSJCT-IBGZPJMESA-N 1 1 352.450 3.089 20 30 FGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000811813575 725381200 /nfs/dbraw/zinc/38/12/00/725381200.db2.gz CDKPOTQNYCSJCT-IBGZPJMESA-N 1 1 352.450 3.089 20 30 FGEDMO C#CCN(C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000812189968 725390352 /nfs/dbraw/zinc/39/03/52/725390352.db2.gz NNDPWABTCDQWND-SJORKVTESA-N 1 1 351.853 3.278 20 30 FGEDMO C#CCN(C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000812189968 725390353 /nfs/dbraw/zinc/39/03/53/725390353.db2.gz NNDPWABTCDQWND-SJORKVTESA-N 1 1 351.853 3.278 20 30 FGEDMO C#C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccc(Cl)cc1F ZINC000812572631 725400173 /nfs/dbraw/zinc/40/01/73/725400173.db2.gz ALAFSDSYYXEVTM-INIZCTEOSA-N 1 1 361.804 3.167 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815198754 727051549 /nfs/dbraw/zinc/05/15/49/727051549.db2.gz YFVRFMSYHFHIKF-FGTMMUONSA-N 1 1 352.519 3.425 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000818609444 727316625 /nfs/dbraw/zinc/31/66/25/727316625.db2.gz XHQGBKNWSPSEQB-AWEZNQCLSA-N 1 1 351.288 3.014 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC[N@H+](C)CC2)s1 ZINC000819002207 727336468 /nfs/dbraw/zinc/33/64/68/727336468.db2.gz INZAWLOEEHONAV-UHFFFAOYSA-N 1 1 359.948 3.003 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CCC[N@@H+]2CC)s1 ZINC000819032212 727340173 /nfs/dbraw/zinc/34/01/73/727340173.db2.gz DDWGOHFLKBNHAA-CYBMUJFWSA-N 1 1 373.975 3.439 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1=S ZINC000819897652 728950932 /nfs/dbraw/zinc/95/09/32/728950932.db2.gz RQIGLIRQQZVXPT-OAHLLOKOSA-N 1 1 354.483 3.244 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c1=S ZINC000819897652 728950935 /nfs/dbraw/zinc/95/09/35/728950935.db2.gz RQIGLIRQQZVXPT-OAHLLOKOSA-N 1 1 354.483 3.244 20 30 FGEDMO CC(C)C#CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000822844156 729224388 /nfs/dbraw/zinc/22/43/88/729224388.db2.gz VBPGNOUODBYQMP-UHFFFAOYSA-N 1 1 352.400 3.445 20 30 FGEDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000825886174 729398447 /nfs/dbraw/zinc/39/84/47/729398447.db2.gz MWQPVNVYCZQBEN-QGZVFWFLSA-N 1 1 352.356 3.169 20 30 FGEDMO C#C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCOCC1 ZINC000827565646 729431882 /nfs/dbraw/zinc/43/18/82/729431882.db2.gz OCBYVYBSFKMPKN-KRWDZBQOSA-N 1 1 357.435 3.236 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000840974788 730199783 /nfs/dbraw/zinc/19/97/83/730199783.db2.gz OMHVGEFPAREWJS-INIZCTEOSA-N 1 1 360.885 3.329 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371435 730708702 /nfs/dbraw/zinc/70/87/02/730708702.db2.gz YQTQCHZQDOWYKO-SFHVURJKSA-N 1 1 357.841 3.206 20 30 FGEDMO Brc1ccc2oc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)cc2c1 ZINC000853324943 731695335 /nfs/dbraw/zinc/69/53/35/731695335.db2.gz QBYMVVCVHZGWMO-ZIAGYGMSSA-N 1 1 361.243 3.389 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C(=O)c2ccc(Br)cc2C1=O ZINC000853598123 731729493 /nfs/dbraw/zinc/72/94/93/731729493.db2.gz LIIVZYJEQDKFQW-BETUJISGSA-N 1 1 361.239 3.186 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)c2ccc(Br)cc2C1=O ZINC000853598123 731729494 /nfs/dbraw/zinc/72/94/94/731729494.db2.gz LIIVZYJEQDKFQW-BETUJISGSA-N 1 1 361.239 3.186 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000855930858 731968730 /nfs/dbraw/zinc/96/87/30/731968730.db2.gz SYOKYEYTVRPHOU-LBPRGKRZSA-N 1 1 358.326 3.254 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000855930858 731968733 /nfs/dbraw/zinc/96/87/33/731968733.db2.gz SYOKYEYTVRPHOU-LBPRGKRZSA-N 1 1 358.326 3.254 20 30 FGEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl)C(=O)NC1(C#N)CCC1 ZINC000856779461 732059553 /nfs/dbraw/zinc/05/95/53/732059553.db2.gz YVSYRVPAPUQLNS-NXEZZACHSA-N 1 1 374.794 3.355 20 30 FGEDMO CC(C)(C)[N@@H+](CC(=O)NCCC#N)Cc1ccc(Br)cc1 ZINC000859439292 732328907 /nfs/dbraw/zinc/32/89/07/732328907.db2.gz RBOKJLDUUPOZGM-UHFFFAOYSA-N 1 1 352.276 3.079 20 30 FGEDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]2CCC[C@@H]21 ZINC000859952153 732421930 /nfs/dbraw/zinc/42/19/30/732421930.db2.gz SQGVNOUSRLHUSH-ZACQAIPSSA-N 1 1 362.857 3.406 20 30 FGEDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]2CCC[C@@H]21 ZINC000859952153 732421932 /nfs/dbraw/zinc/42/19/32/732421932.db2.gz SQGVNOUSRLHUSH-ZACQAIPSSA-N 1 1 362.857 3.406 20 30 FGEDMO COCCN(C)N=C1CC[N@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863112820 732916186 /nfs/dbraw/zinc/91/61/86/732916186.db2.gz ZIQUDVSGETZYLC-INIZCTEOSA-N 1 1 354.292 3.150 20 30 FGEDMO COCCN(C)N=C1CC[N@@H+](C)[C@H](c2ccc(Br)cc2)C1 ZINC000863112820 732916189 /nfs/dbraw/zinc/91/61/89/732916189.db2.gz ZIQUDVSGETZYLC-INIZCTEOSA-N 1 1 354.292 3.150 20 30 FGEDMO C=C(Cl)C[C@@H]1NC(=O)N(C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1=O ZINC000865301426 733176439 /nfs/dbraw/zinc/17/64/39/733176439.db2.gz LQTGQCHHRBETRX-ZFWWWQNUSA-N 1 1 367.902 3.023 20 30 FGEDMO C=C(Cl)C[C@H]1NC(=O)N([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O ZINC000865306181 733177993 /nfs/dbraw/zinc/17/79/93/733177993.db2.gz CCDFMHLQEISSPU-MLGOLLRUSA-N 1 1 358.829 3.305 20 30 FGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cc(Br)c(C)nc2OC)no1 ZINC000872181411 735602075 /nfs/dbraw/zinc/60/20/75/735602075.db2.gz JZCSGKXKYIOHRM-JTQLQIEISA-N 1 1 373.638 3.354 20 30 FGEDMO CN(C(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1)c1ccccc1 ZINC000877494345 736671802 /nfs/dbraw/zinc/67/18/02/736671802.db2.gz OUEYNYCVGMWNGI-OAHLLOKOSA-N 1 1 354.841 3.092 20 30 FGEDMO CN(C(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1)c1ccccc1 ZINC000877494345 736671805 /nfs/dbraw/zinc/67/18/05/736671805.db2.gz OUEYNYCVGMWNGI-OAHLLOKOSA-N 1 1 354.841 3.092 20 30 FGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000877543828 736681530 /nfs/dbraw/zinc/68/15/30/736681530.db2.gz HIFWMRKAMSQDNI-HXUWFJFHSA-N 1 1 355.869 3.424 20 30 FGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000877543828 736681535 /nfs/dbraw/zinc/68/15/35/736681535.db2.gz HIFWMRKAMSQDNI-HXUWFJFHSA-N 1 1 355.869 3.424 20 30 FGEDMO CO[C@@]1(C(F)(F)F)CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000880308224 737150882 /nfs/dbraw/zinc/15/08/82/737150882.db2.gz BDDQOWNYUCDNTA-IRXDYDNUSA-N 1 1 354.372 3.080 20 30 FGEDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000880308224 737150885 /nfs/dbraw/zinc/15/08/85/737150885.db2.gz BDDQOWNYUCDNTA-IRXDYDNUSA-N 1 1 354.372 3.080 20 30 FGEDMO CO[C@]1(C(F)(F)F)CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000880308222 737151131 /nfs/dbraw/zinc/15/11/31/737151131.db2.gz BDDQOWNYUCDNTA-DLBZAZTESA-N 1 1 354.372 3.080 20 30 FGEDMO CO[C@]1(C(F)(F)F)CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000880308222 737151133 /nfs/dbraw/zinc/15/11/33/737151133.db2.gz BDDQOWNYUCDNTA-DLBZAZTESA-N 1 1 354.372 3.080 20 30 FGEDMO C#CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc(OC)c(Cl)cc2OC)C1 ZINC000886362772 739249659 /nfs/dbraw/zinc/24/96/59/739249659.db2.gz MHGSSDAIFACCTB-CYBMUJFWSA-N 1 1 350.846 3.031 20 30 FGEDMO C=CCC1(O)CC[NH+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000886755351 739292163 /nfs/dbraw/zinc/29/21/63/739292163.db2.gz GBEUSOQBXKKPKJ-UHFFFAOYSA-N 1 1 374.815 3.283 20 30 FGEDMO C=CCC1(O)CC[NH+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000886766729 739294984 /nfs/dbraw/zinc/29/49/84/739294984.db2.gz QDKZNJARJIXRQP-KRWDZBQOSA-N 1 1 350.528 3.355 20 30 FGEDMO N#Cc1sc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1Cl ZINC000888416134 739519477 /nfs/dbraw/zinc/51/94/77/739519477.db2.gz WEDQZFYWOXBMBC-CMPLNLGQSA-N 1 1 365.890 3.149 20 30 FGEDMO CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000893873542 742207606 /nfs/dbraw/zinc/20/76/06/742207606.db2.gz ABOKGVMCISEYLS-ZWKOTPCHSA-N 1 1 354.479 3.207 20 30 FGEDMO CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@@H+](CC(C)(C)CCC#N)C2)C1 ZINC000896168666 742507417 /nfs/dbraw/zinc/50/74/17/742507417.db2.gz ULGPHSGVCLPCRM-IBGZPJMESA-N 1 1 351.491 3.028 20 30 FGEDMO Cc1cc(Br)c(O)c(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000897602901 742694905 /nfs/dbraw/zinc/69/49/05/742694905.db2.gz ZIXDDEBAMFDSHY-UHFFFAOYSA-N 1 1 366.255 3.301 20 30 FGEDMO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]Cc1nc(C#N)cs1 ZINC000897628324 742697136 /nfs/dbraw/zinc/69/71/36/742697136.db2.gz GRGAWXUBVZNNAL-LBPRGKRZSA-N 1 1 362.886 3.195 20 30 FGEDMO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ncc(Br)cc1Cl ZINC000901208888 743237755 /nfs/dbraw/zinc/23/77/55/743237755.db2.gz ZWOVWBREFMQAGM-RYUDHWBXSA-N 1 1 370.682 3.082 20 30 FGEDMO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(C#N)ccn1 ZINC000902891263 743785048 /nfs/dbraw/zinc/78/50/48/743785048.db2.gz RKGWADYCEIZZDK-MEDUHNTESA-N 1 1 358.804 3.202 20 30 FGEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OCc2nccn2C)cc1 ZINC000903263358 743831916 /nfs/dbraw/zinc/83/19/16/743831916.db2.gz MRGCGIOLUVXWJF-CYBMUJFWSA-N 1 1 353.451 3.178 20 30 FGEDMO Cc1[nH+]c(C=NNC(=S)NCCc2ccc(Cl)cc2)c2ccccn12 ZINC000914599717 757809300 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/nfs/dbraw/zinc/86/88/34/494868834.db2.gz JHXGWPCQKRRACD-PMACEKPBSA-N 1 1 352.434 3.446 20 30 FGEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000126962020 494869002 /nfs/dbraw/zinc/86/90/02/494869002.db2.gz JHXGWPCQKRRACD-UXHICEINSA-N 1 1 352.434 3.446 20 30 FGEDMO CC(=O)Nc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109405772 494870280 /nfs/dbraw/zinc/87/02/80/494870280.db2.gz CRYKYILMAHYLCD-UHFFFAOYSA-N 1 1 364.449 3.366 20 30 FGEDMO CC(=O)Nc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000109405772 494870284 /nfs/dbraw/zinc/87/02/84/494870284.db2.gz CRYKYILMAHYLCD-UHFFFAOYSA-N 1 1 364.449 3.366 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121846261 494873991 /nfs/dbraw/zinc/87/39/91/494873991.db2.gz GZCQHDMTHLXPCX-RXVVDRJESA-N 1 1 362.562 3.017 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccc(C)cc2)c(C#N)c1C ZINC000027687796 494881965 /nfs/dbraw/zinc/88/19/65/494881965.db2.gz PVDFOGPSIFONAX-HNNXBMFYSA-N 1 1 355.438 3.414 20 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/nfs/dbraw/zinc/92/41/20/494924120.db2.gz WXXCQEODLGCTRS-UHFFFAOYSA-N 1 1 363.461 3.191 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1OCCCC#N ZINC000093870523 494929753 /nfs/dbraw/zinc/92/97/53/494929753.db2.gz DWXGATSOUQIABK-GOSISDBHSA-N 1 1 368.481 3.176 20 30 FGEDMO C=CCCOCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000122179433 494936422 /nfs/dbraw/zinc/93/64/22/494936422.db2.gz WHRAHQLJTNMEQH-GOSISDBHSA-N 1 1 359.514 3.453 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[NH2+][C@H](c1ccccc1)c1cccc(F)c1)C1CC1 ZINC000122568783 494995688 /nfs/dbraw/zinc/99/56/88/494995688.db2.gz AYRZHSGIJHVRKG-RTWAWAEBSA-N 1 1 351.425 3.313 20 30 FGEDMO N#Cc1ccc(NCC[NH+]2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000111103548 495039905 /nfs/dbraw/zinc/03/99/05/495039905.db2.gz KIDFSFFOORPZDD-UHFFFAOYSA-N 1 1 354.885 3.441 20 30 FGEDMO CC[N@H+]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000118826555 495042771 /nfs/dbraw/zinc/04/27/71/495042771.db2.gz WRGBNFIUPGPFGW-OAHLLOKOSA-N 1 1 374.554 3.101 20 30 FGEDMO C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCC(C#N)CC4)nc(N)c23)C1 ZINC000111209699 495048591 /nfs/dbraw/zinc/04/85/91/495048591.db2.gz NKHBSBFGCRTIMF-GFCCVEGCSA-N 1 1 355.511 3.176 20 30 FGEDMO COc1cccc(NC2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000111304971 495061777 /nfs/dbraw/zinc/06/17/77/495061777.db2.gz XTKQJFDOTDTVBW-IIBYNOLFSA-N 1 1 372.513 3.014 20 30 FGEDMO N#Cc1ccc2ncc(C[NH2+]Cc3cc(Br)ccc3F)n2c1 ZINC000123237307 495101160 /nfs/dbraw/zinc/10/11/60/495101160.db2.gz DPYHQKOCUFPITI-UHFFFAOYSA-N 1 1 359.202 3.397 20 30 FGEDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000128554541 495115401 /nfs/dbraw/zinc/11/54/01/495115401.db2.gz GAIMFYCIGQAKLF-CQSZACIVSA-N 1 1 362.882 3.032 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c(C#N)c1C ZINC000134235697 495124964 /nfs/dbraw/zinc/12/49/64/495124964.db2.gz DNJHVKDMMSCXAW-ACJLOTCBSA-N 1 1 369.490 3.499 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c(C#N)c1C ZINC000134235697 495124965 /nfs/dbraw/zinc/12/49/65/495124965.db2.gz DNJHVKDMMSCXAW-ACJLOTCBSA-N 1 1 369.490 3.499 20 30 FGEDMO C#CCCCCNC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000128821429 495155228 /nfs/dbraw/zinc/15/52/28/495155228.db2.gz DRGKHABZXIBHMZ-UHFFFAOYSA-N 1 1 362.543 3.020 20 30 FGEDMO C=CCNc1ncc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)s1 ZINC000128935671 495171005 /nfs/dbraw/zinc/17/10/05/495171005.db2.gz BJHYEXPIFMCWHD-HOTGVXAUSA-N 1 1 362.543 3.468 20 30 FGEDMO Cc1sc(NC(=O)CN2CCC([N@@H+]3CCC[C@@H]3C)CC2)c(C#N)c1C ZINC000134727484 495192180 /nfs/dbraw/zinc/19/21/80/495192180.db2.gz QVJMZJVLAHMKJW-ZDUSSCGKSA-N 1 1 360.527 3.124 20 30 FGEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1C#N ZINC000134977880 495233470 /nfs/dbraw/zinc/23/34/70/495233470.db2.gz QRBFYFIPQPJMNF-UHFFFAOYSA-N 1 1 367.424 3.054 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1C#N ZINC000134977880 495233472 /nfs/dbraw/zinc/23/34/72/495233472.db2.gz QRBFYFIPQPJMNF-UHFFFAOYSA-N 1 1 367.424 3.054 20 30 FGEDMO Cc1cc(NC(=O)C2CC[NH+](CC#Cc3ccccc3Cl)CC2)no1 ZINC000135169969 495259204 /nfs/dbraw/zinc/25/92/04/495259204.db2.gz KUEHZFOFIIMYSD-UHFFFAOYSA-N 1 1 357.841 3.339 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000119928617 495271921 /nfs/dbraw/zinc/27/19/21/495271921.db2.gz GIXHMYWDDPHTDQ-UWJYYQICSA-N 1 1 359.473 3.492 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1cccs1 ZINC000129871526 495308147 /nfs/dbraw/zinc/30/81/47/495308147.db2.gz BOHBXEFSSIFLSP-OXJNMPFZSA-N 1 1 369.490 3.198 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1cccs1 ZINC000129871298 495308557 /nfs/dbraw/zinc/30/85/57/495308557.db2.gz BOHBXEFSSIFLSP-OXQOHEQNSA-N 1 1 369.490 3.198 20 30 FGEDMO CC(C)COc1cccc(C[NH+]2CCN(c3cnccc3C#N)CC2)c1 ZINC000571618534 505774405 /nfs/dbraw/zinc/77/44/05/505774405.db2.gz RREZQZLHYDLECF-UHFFFAOYSA-N 1 1 350.466 3.310 20 30 FGEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000574445530 505775293 /nfs/dbraw/zinc/77/52/93/505775293.db2.gz IJABJYUNBHBABQ-AWEZNQCLSA-N 1 1 367.415 3.262 20 30 FGEDMO Cc1[nH+]ccn1CCCCNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000130278412 495366673 /nfs/dbraw/zinc/36/66/73/495366673.db2.gz NYEXPOBWSQVNRR-UHFFFAOYSA-N 1 1 371.510 3.072 20 30 FGEDMO C=C(C)COCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000120605279 495415250 /nfs/dbraw/zinc/41/52/50/495415250.db2.gz OUSDFBVITOUMPE-SFHVURJKSA-N 1 1 351.535 3.265 20 30 FGEDMO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125296250 495421973 /nfs/dbraw/zinc/42/19/73/495421973.db2.gz DYXVSDHRKCSNBK-HNNXBMFYSA-N 1 1 365.433 3.112 20 30 FGEDMO COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125296250 495421975 /nfs/dbraw/zinc/42/19/75/495421975.db2.gz DYXVSDHRKCSNBK-HNNXBMFYSA-N 1 1 365.433 3.112 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114791746 495425851 /nfs/dbraw/zinc/42/58/51/495425851.db2.gz BJJRFRUIURTQPN-NRFANRHFSA-N 1 1 362.477 3.364 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000574475511 505781502 /nfs/dbraw/zinc/78/15/02/505781502.db2.gz XTZVKRRMGMAWED-CKVGWXAMSA-N 1 1 354.498 3.451 20 30 FGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000125336811 495428708 /nfs/dbraw/zinc/42/87/08/495428708.db2.gz NEIURKUGUIIRNU-JKSUJKDBSA-N 1 1 351.454 3.193 20 30 FGEDMO N#Cc1ccc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)nc1 ZINC000140024731 495487553 /nfs/dbraw/zinc/48/75/53/495487553.db2.gz BDLUDZCBYAGORF-UHFFFAOYSA-N 1 1 355.873 3.231 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC3=CCCC3)CC2)cc1 ZINC000125863636 495510570 /nfs/dbraw/zinc/51/05/70/495510570.db2.gz PCZSNWRWRGRNAL-UHFFFAOYSA-N 1 1 352.482 3.276 20 30 FGEDMO CCc1ccc([C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC[NH2+]2)cc1 ZINC000574500669 505786630 /nfs/dbraw/zinc/78/66/30/505786630.db2.gz GEAIPQSWCMZSBU-BHDDXSALSA-N 1 1 359.473 3.397 20 30 FGEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000115596607 495520750 /nfs/dbraw/zinc/52/07/50/495520750.db2.gz VDULXHHUPMGLRL-MEDUHNTESA-N 1 1 363.339 3.334 20 30 FGEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000143114438 495530875 /nfs/dbraw/zinc/53/08/75/495530875.db2.gz DXFNGIFEKRQFSP-IBGZPJMESA-N 1 1 366.461 3.264 20 30 FGEDMO C[N@H+](CCCCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176211493 495548467 /nfs/dbraw/zinc/54/84/67/495548467.db2.gz DUULBRPVXZOHPY-UHFFFAOYSA-N 1 1 356.491 3.287 20 30 FGEDMO C[N@@H+](CCCCc1ccccc1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176211493 495548469 /nfs/dbraw/zinc/54/84/69/495548469.db2.gz DUULBRPVXZOHPY-UHFFFAOYSA-N 1 1 356.491 3.287 20 30 FGEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1 ZINC000179341906 495550559 /nfs/dbraw/zinc/55/05/59/495550559.db2.gz IUMVDNXKHIHNMO-IBGZPJMESA-N 1 1 355.482 3.107 20 30 FGEDMO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[N@H+](C3CC3)CC2)c1 ZINC000170683287 495563611 /nfs/dbraw/zinc/56/36/11/495563611.db2.gz LRWVTGUADNINPW-UHFFFAOYSA-N 1 1 365.433 3.041 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158791344 495589860 /nfs/dbraw/zinc/58/98/60/495589860.db2.gz AQCRCTFWDKEARK-FQEVSTJZSA-N 1 1 367.474 3.122 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158791344 495589862 /nfs/dbraw/zinc/58/98/62/495589862.db2.gz AQCRCTFWDKEARK-FQEVSTJZSA-N 1 1 367.474 3.122 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000185521481 495608265 /nfs/dbraw/zinc/60/82/65/495608265.db2.gz JOLZTPVXLPUIFE-NFOMZHRRSA-N 1 1 367.419 3.227 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCSc1ccc(Cl)cc1 ZINC000176374566 495625905 /nfs/dbraw/zinc/62/59/05/495625905.db2.gz BLRDRJCPUPMJKY-CQSZACIVSA-N 1 1 373.913 3.304 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCSc1ccc(Cl)cc1 ZINC000176374566 495625910 /nfs/dbraw/zinc/62/59/10/495625910.db2.gz BLRDRJCPUPMJKY-CQSZACIVSA-N 1 1 373.913 3.304 20 30 FGEDMO C[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000154579154 495659807 /nfs/dbraw/zinc/65/98/07/495659807.db2.gz ZBGLOXRQXXSXSW-GFCCVEGCSA-N 1 1 359.882 3.450 20 30 FGEDMO C[C@H](CNC(=O)c1ccc(C#N)c(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000154579154 495659813 /nfs/dbraw/zinc/65/98/13/495659813.db2.gz ZBGLOXRQXXSXSW-GFCCVEGCSA-N 1 1 359.882 3.450 20 30 FGEDMO CCN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159118407 495663472 /nfs/dbraw/zinc/66/34/72/495663472.db2.gz YTSOWFMZHWSGLH-NRFANRHFSA-N 1 1 362.477 3.364 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173727813 495666111 /nfs/dbraw/zinc/66/61/11/495666111.db2.gz GOGDJOQTWAFXEG-QGZVFWFLSA-N 1 1 373.460 3.315 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)C1CC1 ZINC000580587438 505791483 /nfs/dbraw/zinc/79/14/83/505791483.db2.gz KWJLAAKRHNMTCJ-VLIAUNLRSA-N 1 1 368.506 3.284 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)C1CC1 ZINC000580587438 505791487 /nfs/dbraw/zinc/79/14/87/505791487.db2.gz KWJLAAKRHNMTCJ-VLIAUNLRSA-N 1 1 368.506 3.284 20 30 FGEDMO COc1cc(C#N)ccc1OCCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694879 495683237 /nfs/dbraw/zinc/68/32/37/495683237.db2.gz LMLQPQVGJBTMRD-WMZOPIPTSA-N 1 1 357.498 3.188 20 30 FGEDMO COc1cc(C#N)ccc1OCCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694879 495683240 /nfs/dbraw/zinc/68/32/40/495683240.db2.gz LMLQPQVGJBTMRD-WMZOPIPTSA-N 1 1 357.498 3.188 20 30 FGEDMO Cn1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(-c2cccs2)n1 ZINC000179668072 495683590 /nfs/dbraw/zinc/68/35/90/495683590.db2.gz KUWXUYJQMNGCFS-UHFFFAOYSA-N 1 1 363.490 3.342 20 30 FGEDMO Cc1nccn1CCC[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000159212838 495684891 /nfs/dbraw/zinc/68/48/91/495684891.db2.gz HAEOBMPUQALOBW-UHFFFAOYSA-N 1 1 367.497 3.077 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173773039 495684943 /nfs/dbraw/zinc/68/49/43/495684943.db2.gz GOGDJOQTWAFXEG-KRWDZBQOSA-N 1 1 373.460 3.315 20 30 FGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000179777549 495731557 /nfs/dbraw/zinc/73/15/57/495731557.db2.gz CVMFWJLAURMSGF-WMZOPIPTSA-N 1 1 361.449 3.400 20 30 FGEDMO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000185871964 495758210 /nfs/dbraw/zinc/75/82/10/495758210.db2.gz PHMLLCPVKNVACG-QGZVFWFLSA-N 1 1 351.454 3.337 20 30 FGEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000185871964 495758216 /nfs/dbraw/zinc/75/82/16/495758216.db2.gz PHMLLCPVKNVACG-QGZVFWFLSA-N 1 1 351.454 3.337 20 30 FGEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H](C)O1 ZINC000151371457 495818422 /nfs/dbraw/zinc/81/84/22/495818422.db2.gz ISWBIPRIUNDWOL-LMMKCTJWSA-N 1 1 372.513 3.218 20 30 FGEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000151371321 495818563 /nfs/dbraw/zinc/81/85/63/495818563.db2.gz ISWBIPRIUNDWOL-SCTDSRPQSA-N 1 1 372.513 3.218 20 30 FGEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000151371321 495818568 /nfs/dbraw/zinc/81/85/68/495818568.db2.gz ISWBIPRIUNDWOL-SCTDSRPQSA-N 1 1 372.513 3.218 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180034938 495831684 /nfs/dbraw/zinc/83/16/84/495831684.db2.gz KOSAHXLWUQUOSK-KRWDZBQOSA-N 1 1 351.498 3.313 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000186051052 495836795 /nfs/dbraw/zinc/83/67/95/495836795.db2.gz YMGWSRLUBGOEBZ-OAQYLSRUSA-N 1 1 363.461 3.220 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053469 495838493 /nfs/dbraw/zinc/83/84/93/495838493.db2.gz VYQJMKYXNYFORN-HDICACEKSA-N 1 1 365.525 3.416 20 30 FGEDMO CC(C)[N@H+](CCc1nccs1)CC(=O)N(CCC#N)c1ccccc1 ZINC000159919451 495841451 /nfs/dbraw/zinc/84/14/51/495841451.db2.gz IGBRVJUHMYANPA-UHFFFAOYSA-N 1 1 356.495 3.343 20 30 FGEDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(CCC#N)c1ccccc1 ZINC000159919451 495841454 /nfs/dbraw/zinc/84/14/54/495841454.db2.gz IGBRVJUHMYANPA-UHFFFAOYSA-N 1 1 356.495 3.343 20 30 FGEDMO COCc1ccsc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000180085563 495852348 /nfs/dbraw/zinc/85/23/48/495852348.db2.gz YBGOBVZYBPUKMD-UHFFFAOYSA-N 1 1 369.490 3.114 20 30 FGEDMO COCc1ccsc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000180085563 495852355 /nfs/dbraw/zinc/85/23/55/495852355.db2.gz YBGOBVZYBPUKMD-UHFFFAOYSA-N 1 1 369.490 3.114 20 30 FGEDMO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000568929207 505810003 /nfs/dbraw/zinc/81/00/03/505810003.db2.gz UYUYEIPAOAWUER-QGZVFWFLSA-N 1 1 351.450 3.342 20 30 FGEDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000568929207 505810006 /nfs/dbraw/zinc/81/00/06/505810006.db2.gz UYUYEIPAOAWUER-QGZVFWFLSA-N 1 1 351.450 3.342 20 30 FGEDMO COc1cc(C)c(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1OC ZINC000155279026 495902535 /nfs/dbraw/zinc/90/25/35/495902535.db2.gz QZNJVWMNERMYDE-FQEVSTJZSA-N 1 1 365.477 3.395 20 30 FGEDMO C=CC[C@@H](C)[C@@H](C)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000183282143 495914765 /nfs/dbraw/zinc/91/47/65/495914765.db2.gz APKQYZYEECGZLX-HZPDHXFCSA-N 1 1 363.477 3.499 20 30 FGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1C#N ZINC000186298064 495933891 /nfs/dbraw/zinc/93/38/91/495933891.db2.gz IYQYTCQNRBBMCU-MRXNPFEDSA-N 1 1 369.490 3.291 20 30 FGEDMO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccccc1C#N ZINC000186298064 495933894 /nfs/dbraw/zinc/93/38/94/495933894.db2.gz IYQYTCQNRBBMCU-MRXNPFEDSA-N 1 1 369.490 3.291 20 30 FGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CCC(=O)NCC1CCCCC1 ZINC000577895403 505813780 /nfs/dbraw/zinc/81/37/80/505813780.db2.gz IMYCSNCNDHAHSZ-UHFFFAOYSA-N 1 1 357.498 3.093 20 30 FGEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000160418677 495958955 /nfs/dbraw/zinc/95/89/55/495958955.db2.gz VPXDQMUUMXHVTR-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO Cc1cc(C#N)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000160418677 495958961 /nfs/dbraw/zinc/95/89/61/495958961.db2.gz VPXDQMUUMXHVTR-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)cc1 ZINC000151860961 495972714 /nfs/dbraw/zinc/97/27/14/495972714.db2.gz PADPYHROQNMGGB-HXUWFJFHSA-N 1 1 363.461 3.391 20 30 FGEDMO COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OCCCC#N ZINC000174598459 496027534 /nfs/dbraw/zinc/02/75/34/496027534.db2.gz UJLRXJLOWYEKOI-YQQQUEKLSA-N 1 1 357.498 3.483 20 30 FGEDMO COc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OCCCC#N ZINC000174598459 496027539 /nfs/dbraw/zinc/02/75/39/496027539.db2.gz UJLRXJLOWYEKOI-YQQQUEKLSA-N 1 1 357.498 3.483 20 30 FGEDMO COc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OCCCC#N ZINC000174598459 496027544 /nfs/dbraw/zinc/02/75/44/496027544.db2.gz UJLRXJLOWYEKOI-YQQQUEKLSA-N 1 1 357.498 3.483 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000580703653 505818831 /nfs/dbraw/zinc/81/88/31/505818831.db2.gz HHTHVMUASJSGOG-ICSRJNTNSA-N 1 1 352.482 3.252 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000174664922 496051025 /nfs/dbraw/zinc/05/10/25/496051025.db2.gz TUUBYSQIVLVFEH-UHFFFAOYSA-N 1 1 351.406 3.138 20 30 FGEDMO C[C@H]1C[NH+](CCC2CCN(CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000155888892 496099159 /nfs/dbraw/zinc/09/91/59/496099159.db2.gz SXIMNRULDRTPDZ-OALUTQOASA-N 1 1 358.501 3.389 20 30 FGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cn1 ZINC000171972390 496114142 /nfs/dbraw/zinc/11/41/42/496114142.db2.gz BOMCCCHIXROGTL-UHFFFAOYSA-N 1 1 360.255 3.364 20 30 FGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cn1 ZINC000171972390 496114146 /nfs/dbraw/zinc/11/41/46/496114146.db2.gz BOMCCCHIXROGTL-UHFFFAOYSA-N 1 1 360.255 3.364 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C[C@H]1CCCO1 ZINC000172172234 496193663 /nfs/dbraw/zinc/19/36/63/496193663.db2.gz CLZXLVMBLKAXNT-JKSUJKDBSA-N 1 1 361.511 3.378 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C[C@H]1CCCO1 ZINC000172172234 496193666 /nfs/dbraw/zinc/19/36/66/496193666.db2.gz CLZXLVMBLKAXNT-JKSUJKDBSA-N 1 1 361.511 3.378 20 30 FGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000177796169 496199881 /nfs/dbraw/zinc/19/98/81/496199881.db2.gz YOJCVPDXIUHDCL-SJORKVTESA-N 1 1 356.470 3.436 20 30 FGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177858620 496227297 /nfs/dbraw/zinc/22/72/97/496227297.db2.gz HJUNTZIDAQACLZ-LLVKDONJSA-N 1 1 350.390 3.091 20 30 FGEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1n1ccnc1 ZINC000156413742 496238724 /nfs/dbraw/zinc/23/87/24/496238724.db2.gz TYIQZRMOAKFUPZ-WBVHZDCISA-N 1 1 369.494 3.020 20 30 FGEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1n1ccnc1 ZINC000156413742 496238726 /nfs/dbraw/zinc/23/87/26/496238726.db2.gz TYIQZRMOAKFUPZ-WBVHZDCISA-N 1 1 369.494 3.020 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000156770680 496330355 /nfs/dbraw/zinc/33/03/55/496330355.db2.gz YCUGDZKKMLBPGS-GOSISDBHSA-N 1 1 372.465 3.036 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000156770680 496330358 /nfs/dbraw/zinc/33/03/58/496330358.db2.gz YCUGDZKKMLBPGS-GOSISDBHSA-N 1 1 372.465 3.036 20 30 FGEDMO Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000153037142 496333948 /nfs/dbraw/zinc/33/39/48/496333948.db2.gz RNPLRVWBWPQWHE-LAUBAEHRSA-N 1 1 356.514 3.314 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175418106 496383124 /nfs/dbraw/zinc/38/31/24/496383124.db2.gz GNGORYFMYLTIOP-WZQKQDCOSA-N 1 1 372.490 3.376 20 30 FGEDMO Cn1cc(C[N@@H+](C)CC2(O)CCCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000187327913 496395950 /nfs/dbraw/zinc/39/59/50/496395950.db2.gz IOJOIDFBKPQBEY-UHFFFAOYSA-N 1 1 352.482 3.476 20 30 FGEDMO Cc1cc(C#N)ccc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000162934275 496436762 /nfs/dbraw/zinc/43/67/62/496436762.db2.gz VEPFWRYENGBRJS-QGZVFWFLSA-N 1 1 363.461 3.017 20 30 FGEDMO Cc1cc(C#N)ccc1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000162934275 496436770 /nfs/dbraw/zinc/43/67/70/496436770.db2.gz VEPFWRYENGBRJS-QGZVFWFLSA-N 1 1 363.461 3.017 20 30 FGEDMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000187538715 496482688 /nfs/dbraw/zinc/48/26/88/496482688.db2.gz BWEWJNVZHRDXIY-RXVVDRJESA-N 1 1 357.498 3.115 20 30 FGEDMO CCc1noc(C)c1C[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000163308147 496496381 /nfs/dbraw/zinc/49/63/81/496496381.db2.gz FPGWWMWRNJQEPT-UHFFFAOYSA-N 1 1 361.449 3.288 20 30 FGEDMO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1nnc2ccccn21 ZINC000163320039 496497586 /nfs/dbraw/zinc/49/75/86/496497586.db2.gz UXHYIIJOLQSIDI-INIZCTEOSA-N 1 1 371.448 3.357 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCc1nccs1 ZINC000157563525 496503980 /nfs/dbraw/zinc/50/39/80/496503980.db2.gz QUQWEBRKZLMPCX-LLVKDONJSA-N 1 1 360.508 3.066 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCc1nccs1 ZINC000157563525 496503987 /nfs/dbraw/zinc/50/39/87/496503987.db2.gz QUQWEBRKZLMPCX-LLVKDONJSA-N 1 1 360.508 3.066 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccc(Br)o1 ZINC000157571488 496506106 /nfs/dbraw/zinc/50/61/06/496506106.db2.gz YEPYLVIFAPVZGP-UHFFFAOYSA-N 1 1 365.227 3.433 20 30 FGEDMO CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C1COC1 ZINC000569086642 505849737 /nfs/dbraw/zinc/84/97/37/505849737.db2.gz YHUVNCAFWDXZKC-CYBMUJFWSA-N 1 1 361.511 3.182 20 30 FGEDMO CN(C)CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000181763627 496534701 /nfs/dbraw/zinc/53/47/01/496534701.db2.gz GBCXMQAAFXIVLJ-NRFANRHFSA-N 1 1 356.558 3.479 20 30 FGEDMO N#Cc1ccc(CSCC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000153680146 496542719 /nfs/dbraw/zinc/54/27/19/496542719.db2.gz JFYAAARXHOZOEB-QUCCMNQESA-N 1 1 369.534 3.267 20 30 FGEDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000173114949 496555495 /nfs/dbraw/zinc/55/54/95/496555495.db2.gz UISIAWMHGOJSNZ-OAHLLOKOSA-N 1 1 364.515 3.028 20 30 FGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000157807633 496560344 /nfs/dbraw/zinc/56/03/44/496560344.db2.gz RXFXRRHXJBNCBZ-MSOLQXFVSA-N 1 1 356.470 3.436 20 30 FGEDMO C=C(C)[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(F)c1 ZINC000187777352 496567637 /nfs/dbraw/zinc/56/76/37/496567637.db2.gz GNVSZRJLJSCVNS-ZWKOTPCHSA-N 1 1 360.408 3.101 20 30 FGEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000157881969 496576277 /nfs/dbraw/zinc/57/62/77/496576277.db2.gz SEWOCNABHZLAAR-UHFFFAOYSA-N 1 1 355.442 3.452 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000175956720 496617502 /nfs/dbraw/zinc/61/75/02/496617502.db2.gz FWGFVTOPEIRFHJ-NRFANRHFSA-N 1 1 363.461 3.220 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000175956720 496617508 /nfs/dbraw/zinc/61/75/08/496617508.db2.gz FWGFVTOPEIRFHJ-NRFANRHFSA-N 1 1 363.461 3.220 20 30 FGEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000182082493 496663343 /nfs/dbraw/zinc/66/33/43/496663343.db2.gz UGFSPPSWPGEURY-ZWKOTPCHSA-N 1 1 356.470 3.436 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000578114212 505864141 /nfs/dbraw/zinc/86/41/41/505864141.db2.gz SCOIBLFPXMMDRE-HNNXBMFYSA-N 1 1 374.554 3.242 20 30 FGEDMO CC(C)N1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000578114212 505864144 /nfs/dbraw/zinc/86/41/44/505864144.db2.gz SCOIBLFPXMMDRE-HNNXBMFYSA-N 1 1 374.554 3.242 20 30 FGEDMO CC(C)N1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000578114212 505864146 /nfs/dbraw/zinc/86/41/46/505864146.db2.gz SCOIBLFPXMMDRE-HNNXBMFYSA-N 1 1 374.554 3.242 20 30 FGEDMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000194943178 496769533 /nfs/dbraw/zinc/76/95/33/496769533.db2.gz VMUOVTMVVRDMER-KRWDZBQOSA-N 1 1 369.469 3.198 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000247096444 496777166 /nfs/dbraw/zinc/77/71/66/496777166.db2.gz JNLDPUPUBJKZQF-HLLBOEOZSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000247096444 496777174 /nfs/dbraw/zinc/77/71/74/496777174.db2.gz JNLDPUPUBJKZQF-HLLBOEOZSA-N 1 1 361.511 3.112 20 30 FGEDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000273392206 496792668 /nfs/dbraw/zinc/79/26/68/496792668.db2.gz OZHVPVMKJCDMRI-CXAGYDPISA-N 1 1 364.405 3.001 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000247158726 496795949 /nfs/dbraw/zinc/79/59/49/496795949.db2.gz OALGQEVXEZAJCO-HZPDHXFCSA-N 1 1 373.522 3.378 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000188472260 496800676 /nfs/dbraw/zinc/80/06/76/496800676.db2.gz XHFMALUVOJSNFZ-RDJZCZTQSA-N 1 1 351.425 3.480 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1cc(C#N)c[nH]1 ZINC000247332932 496838012 /nfs/dbraw/zinc/83/80/12/496838012.db2.gz JEJALMZXCOXNBI-IGOJGBNBSA-N 1 1 350.466 3.115 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247501791 496874187 /nfs/dbraw/zinc/87/41/87/496874187.db2.gz XQMNLDXOMDZOBA-DNVCBOLYSA-N 1 1 359.495 3.132 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000247501791 496874188 /nfs/dbraw/zinc/87/41/88/496874188.db2.gz XQMNLDXOMDZOBA-DNVCBOLYSA-N 1 1 359.495 3.132 20 30 FGEDMO C=C1CC[NH+](CC(=O)NCc2cccc(COCc3ccco3)c2)CC1 ZINC000264432250 496899969 /nfs/dbraw/zinc/89/99/69/496899969.db2.gz CONHBXXIZBHSPA-UHFFFAOYSA-N 1 1 354.450 3.265 20 30 FGEDMO C=CCN(CCOC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000188819815 496918979 /nfs/dbraw/zinc/91/89/79/496918979.db2.gz OCODGEVPKRWJDW-IHWFROFDSA-N 1 1 357.498 3.026 20 30 FGEDMO N#CCOc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000269433844 496946032 /nfs/dbraw/zinc/94/60/32/496946032.db2.gz OWPRZAYHVGNEME-KXBFYZLASA-N 1 1 354.454 3.070 20 30 FGEDMO Cn1c2ccccc2[nH+]c1NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000192061106 496980630 /nfs/dbraw/zinc/98/06/30/496980630.db2.gz OMNXDZTZHAJDAK-UHFFFAOYSA-N 1 1 371.448 3.258 20 30 FGEDMO C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189051396 496992258 /nfs/dbraw/zinc/99/22/58/496992258.db2.gz SFTNOPRCOVZHJF-WMZOPIPTSA-N 1 1 351.494 3.359 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248416825 497003847 /nfs/dbraw/zinc/00/38/47/497003847.db2.gz JAXUTESFEFLHQV-HUUCEWRRSA-N 1 1 372.435 3.352 20 30 FGEDMO COc1ccc(C(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1OC ZINC000278120108 497011597 /nfs/dbraw/zinc/01/15/97/497011597.db2.gz LNZGWFFBSCHIII-UHFFFAOYSA-N 1 1 373.497 3.182 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)nn3)CC2)cc1 ZINC000269984967 497037338 /nfs/dbraw/zinc/03/73/38/497037338.db2.gz SAVSTVRCFRNTTK-UHFFFAOYSA-N 1 1 361.371 3.079 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1C ZINC000189227506 497052350 /nfs/dbraw/zinc/05/23/50/497052350.db2.gz AHXYLOCXYRVAFJ-OAQYLSRUSA-N 1 1 369.509 3.441 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000248790570 497104544 /nfs/dbraw/zinc/10/45/44/497104544.db2.gz ITNCJOMNFCFWNW-MGPUTAFESA-N 1 1 366.440 3.017 20 30 FGEDMO C[C@@H]1C[NH+](C[C@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)O1 ZINC000249285353 497187488 /nfs/dbraw/zinc/18/74/88/497187488.db2.gz RXOKEBFURRXJRH-UMVBOHGHSA-N 1 1 368.403 3.050 20 30 FGEDMO CC[C@@H]1CCCC[N@H+]1CCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278697397 497192430 /nfs/dbraw/zinc/19/24/30/497192430.db2.gz QPBQMPHZPLJQLU-HXUWFJFHSA-N 1 1 366.513 3.213 20 30 FGEDMO CC[C@@H]1CCCCN1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278697397 497192434 /nfs/dbraw/zinc/19/24/34/497192434.db2.gz QPBQMPHZPLJQLU-HXUWFJFHSA-N 1 1 366.513 3.213 20 30 FGEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000278702097 497194395 /nfs/dbraw/zinc/19/43/95/497194395.db2.gz TVKYSTPUYHOGDW-CJNGLKHVSA-N 1 1 351.372 3.155 20 30 FGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1 ZINC000274990926 497213655 /nfs/dbraw/zinc/21/36/55/497213655.db2.gz YZIIFQQLDZQBIB-HNNXBMFYSA-N 1 1 372.421 3.436 20 30 FGEDMO N#Cc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c(F)c1 ZINC000237710612 497280377 /nfs/dbraw/zinc/28/03/77/497280377.db2.gz RKEOSKBJIHVGDY-UHFFFAOYSA-N 1 1 353.441 3.462 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000574986835 505898438 /nfs/dbraw/zinc/89/84/38/505898438.db2.gz FQPMFSIPMMNWSB-QGZVFWFLSA-N 1 1 356.470 3.485 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(OC)c1 ZINC000255356891 497365314 /nfs/dbraw/zinc/36/53/14/497365314.db2.gz OQSNRDUWXCSUDF-HKUYNNGSSA-N 1 1 356.466 3.329 20 30 FGEDMO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266606552 497381221 /nfs/dbraw/zinc/38/12/21/497381221.db2.gz GJIYKORWYFKCRC-UWWQBHOKSA-N 1 1 366.465 3.412 20 30 FGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266606552 497381227 /nfs/dbraw/zinc/38/12/27/497381227.db2.gz GJIYKORWYFKCRC-UWWQBHOKSA-N 1 1 366.465 3.412 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCSCc1ccccc1C#N ZINC000255958854 497382019 /nfs/dbraw/zinc/38/20/19/497382019.db2.gz SCCANVLBAWZAAS-DLBZAZTESA-N 1 1 374.554 3.211 20 30 FGEDMO [NH3+]CC(F)(F)CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000190206287 497399539 /nfs/dbraw/zinc/39/95/39/497399539.db2.gz SJZILLQFHZOBHO-UHFFFAOYSA-N 1 1 350.209 3.048 20 30 FGEDMO CCC(CC)[N@@H+](CCOC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279329082 497408351 /nfs/dbraw/zinc/40/83/51/497408351.db2.gz CPAXATXUZYIMMF-UHFFFAOYSA-N 1 1 355.486 3.496 20 30 FGEDMO Cc1cnc(CC[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)s1 ZINC000279348040 497413680 /nfs/dbraw/zinc/41/36/80/497413680.db2.gz FUGFIGOAAFXXEV-UHFFFAOYSA-N 1 1 366.494 3.298 20 30 FGEDMO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000569326861 505908533 /nfs/dbraw/zinc/90/85/33/505908533.db2.gz QKSDYHJRSWMRGR-WQTXXOFMSA-N 1 1 359.473 3.225 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000245716232 497513779 /nfs/dbraw/zinc/51/37/79/497513779.db2.gz OCRFYKBUJBKHAT-BZUAXINKSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1CO ZINC000245716232 497513782 /nfs/dbraw/zinc/51/37/82/497513782.db2.gz OCRFYKBUJBKHAT-BZUAXINKSA-N 1 1 361.511 3.112 20 30 FGEDMO C#CCC[NH+]1CCN([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000272052821 497523452 /nfs/dbraw/zinc/52/34/52/497523452.db2.gz UXSCBAIPZZTXMX-RBUKOAKNSA-N 1 1 363.505 3.046 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193991701 497541880 /nfs/dbraw/zinc/54/18/80/497541880.db2.gz CRQQSBPDDZLYRW-SFHVURJKSA-N 1 1 365.481 3.153 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193991701 497541886 /nfs/dbraw/zinc/54/18/86/497541886.db2.gz CRQQSBPDDZLYRW-SFHVURJKSA-N 1 1 365.481 3.153 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 ZINC000245830450 497545536 /nfs/dbraw/zinc/54/55/36/497545536.db2.gz GHQHNXMXCWGXQM-UYAOXDASSA-N 1 1 369.509 3.244 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CCCCO)cc1OC ZINC000276632762 497616820 /nfs/dbraw/zinc/61/68/20/497616820.db2.gz JQAHGGVUSAHDFM-UHFFFAOYSA-N 1 1 358.276 3.227 20 30 FGEDMO C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000280157271 497666882 /nfs/dbraw/zinc/66/68/82/497666882.db2.gz WVLNNTXSRPMRSX-PWIZWCRZSA-N 1 1 364.493 3.010 20 30 FGEDMO C[C@@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000272631896 497683761 /nfs/dbraw/zinc/68/37/61/497683761.db2.gz WIYITSJXDLCCLT-CYBMUJFWSA-N 1 1 369.387 3.388 20 30 FGEDMO C[C@@H]1C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@H]2CCCC[C@@H]12 ZINC000272938902 497765167 /nfs/dbraw/zinc/76/51/67/497765167.db2.gz KVIMTWPNPZACTM-OAOQPFQOSA-N 1 1 364.449 3.022 20 30 FGEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000191292270 497771485 /nfs/dbraw/zinc/77/14/85/497771485.db2.gz NGHDOWPBLMRWPE-UHFFFAOYSA-N 1 1 364.493 3.414 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1cccs1 ZINC000246708980 497802300 /nfs/dbraw/zinc/80/23/00/497802300.db2.gz KCPKHYCDOWDZKP-PBHICJAKSA-N 1 1 372.498 3.063 20 30 FGEDMO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000246794878 497811433 /nfs/dbraw/zinc/81/14/33/497811433.db2.gz MTUUUZGKOVMPOR-HKUYNNGSSA-N 1 1 360.498 3.118 20 30 FGEDMO N#Cc1cc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccc1F ZINC000288529023 497823081 /nfs/dbraw/zinc/82/30/81/497823081.db2.gz UMXBKNYLUYPAJQ-QFIPXVFZSA-N 1 1 363.436 3.436 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000329565726 497831243 /nfs/dbraw/zinc/83/12/43/497831243.db2.gz SPQGMOJDXPDKFZ-HDAAZOAOSA-N 1 1 365.562 3.426 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)cc1 ZINC000329592344 497837958 /nfs/dbraw/zinc/83/79/58/497837958.db2.gz UICMWUOAWOSXRS-ZAUBIYILSA-N 1 1 355.438 3.250 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@H]3C3CC3)sc2C1 ZINC000334033882 497854968 /nfs/dbraw/zinc/85/49/68/497854968.db2.gz MRWRCLKUYHPCBZ-DYVFJYSZSA-N 1 1 373.522 3.184 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOC[C@H]3C3CC3)sc2C1 ZINC000334033882 497854975 /nfs/dbraw/zinc/85/49/75/497854975.db2.gz MRWRCLKUYHPCBZ-DYVFJYSZSA-N 1 1 373.522 3.184 20 30 FGEDMO 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ZINC000329748099 497886580 /nfs/dbraw/zinc/88/65/80/497886580.db2.gz SRLQZTPESOGXNB-QEUVDIPISA-N 1 1 356.466 3.356 20 30 FGEDMO O=C(NCc1nc2ccccc2n1C1CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329780269 497899001 /nfs/dbraw/zinc/89/90/01/497899001.db2.gz MNBOTZUJPSQKGJ-IAGOWNOFSA-N 1 1 353.470 3.002 20 30 FGEDMO COCC[N@@H+](C)CC[C@@H](Nc1nccc(C#N)c1Cl)c1ccccc1 ZINC000569486622 505946605 /nfs/dbraw/zinc/94/66/05/505946605.db2.gz YHOLCHDMAYEVJE-QGZVFWFLSA-N 1 1 358.873 3.150 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)C2=O)cc1 ZINC000329799558 497905469 /nfs/dbraw/zinc/90/54/69/497905469.db2.gz XWZBQIUCIZAQGW-UFYCRDLUSA-N 1 1 365.477 3.087 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)C2=O)cc1 ZINC000329799558 497905474 /nfs/dbraw/zinc/90/54/74/497905474.db2.gz XWZBQIUCIZAQGW-UFYCRDLUSA-N 1 1 365.477 3.087 20 30 FGEDMO COCC[C@@H]1CCCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000329812099 497910273 /nfs/dbraw/zinc/91/02/73/497910273.db2.gz 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C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000328754653 498927965 /nfs/dbraw/zinc/92/79/65/498927965.db2.gz DVMLGAYXWOIYHR-KRWDZBQOSA-N 1 1 359.514 3.496 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000328754653 498927968 /nfs/dbraw/zinc/92/79/68/498927968.db2.gz DVMLGAYXWOIYHR-KRWDZBQOSA-N 1 1 359.514 3.496 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)NCC3([NH+](C)C)CCCCCC3)C2)n[nH]1 ZINC000328763255 498930485 /nfs/dbraw/zinc/93/04/85/498930485.db2.gz ZHUUGHJATCJZAC-QGZVFWFLSA-N 1 1 361.534 3.466 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 ZINC000328775678 498935309 /nfs/dbraw/zinc/93/53/09/498935309.db2.gz KTHCYJLIUZXLLS-APWZRJJASA-N 1 1 373.497 3.136 20 30 FGEDMO CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)c1 ZINC000328846191 498959031 /nfs/dbraw/zinc/95/90/31/498959031.db2.gz VMHWHIHWZFSPOA-VIBAHUMZSA-N 1 1 364.511 3.247 20 30 FGEDMO Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000328863423 498965427 /nfs/dbraw/zinc/96/54/27/498965427.db2.gz MHOMRFHSWFLRJS-JQHSSLGASA-N 1 1 369.513 3.206 20 30 FGEDMO Cc1nc2ccccc2n1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000328863423 498965432 /nfs/dbraw/zinc/96/54/32/498965432.db2.gz MHOMRFHSWFLRJS-JQHSSLGASA-N 1 1 369.513 3.206 20 30 FGEDMO Cc1nc2ccccc2n1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000328863423 498965435 /nfs/dbraw/zinc/96/54/35/498965435.db2.gz MHOMRFHSWFLRJS-JQHSSLGASA-N 1 1 369.513 3.206 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)nc1 ZINC000366547258 498973882 /nfs/dbraw/zinc/97/38/82/498973882.db2.gz YUORORKXMVLNKK-LJQANCHMSA-N 1 1 373.416 3.189 20 30 FGEDMO C[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@@H](CC(N)=O)c1ccccc1 ZINC000366566932 498980970 /nfs/dbraw/zinc/98/09/70/498980970.db2.gz AXCHYADSTJFVHL-SFHVURJKSA-N 1 1 360.417 3.262 20 30 FGEDMO C[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)[C@@H](CC(N)=O)c1ccccc1 ZINC000366566932 498980980 /nfs/dbraw/zinc/98/09/80/498980980.db2.gz AXCHYADSTJFVHL-SFHVURJKSA-N 1 1 360.417 3.262 20 30 FGEDMO CC(C)Oc1ccc(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C#N ZINC000366569308 498981974 /nfs/dbraw/zinc/98/19/74/498981974.db2.gz MXTYNOKJHYCAMU-DODVFSASSA-N 1 1 356.470 3.340 20 30 FGEDMO C[N@H+]1C[C@H](NC(=O)c2cc3c(c(Cl)c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000328910357 498982254 /nfs/dbraw/zinc/98/22/54/498982254.db2.gz FORQIBFOUVZOKE-ZBFHGGJFSA-N 1 1 358.825 3.471 20 30 FGEDMO C[N@H+]1C[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)[C@H](c2ccccc2)C1 ZINC000328919496 498986175 /nfs/dbraw/zinc/98/61/75/498986175.db2.gz LKVOTCLBCBNEOA-RDJZCZTQSA-N 1 1 351.406 3.069 20 30 FGEDMO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[NH+](C)CC1 ZINC000299183833 498989106 /nfs/dbraw/zinc/98/91/06/498989106.db2.gz ZRRFECOWIBXECT-UHFFFAOYSA-N 1 1 350.422 3.438 20 30 FGEDMO N#Cc1sc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nc1Cl ZINC000283844747 498998074 /nfs/dbraw/zinc/99/80/74/498998074.db2.gz TVCSQOJRFIAQRD-CQSZACIVSA-N 1 1 362.886 3.237 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000333420049 499002002 /nfs/dbraw/zinc/00/20/02/499002002.db2.gz HVIOHVKBQBBEMU-ZCNNSNEGSA-N 1 1 355.482 3.292 20 30 FGEDMO C#CCCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000295408616 499008686 /nfs/dbraw/zinc/00/86/86/499008686.db2.gz LDOBLUKIWWHJNL-WIYYLYMNSA-N 1 1 352.478 3.178 20 30 FGEDMO C[C@H]1CC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC12CCC2 ZINC000329092439 499039131 /nfs/dbraw/zinc/03/91/31/499039131.db2.gz AQCSHDNJBQQPIG-ZDUSSCGKSA-N 1 1 374.876 3.416 20 30 FGEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC12CCC2 ZINC000329092439 499039138 /nfs/dbraw/zinc/03/91/38/499039138.db2.gz AQCSHDNJBQQPIG-ZDUSSCGKSA-N 1 1 374.876 3.416 20 30 FGEDMO CC(C)Cn1ncc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1C(F)F ZINC000329094673 499040853 /nfs/dbraw/zinc/04/08/53/499040853.db2.gz KPEXIRHEFCJRQY-OLZOCXBDSA-N 1 1 355.433 3.191 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1 ZINC000329111514 499045735 /nfs/dbraw/zinc/04/57/35/499045735.db2.gz KCSZHHKWQLAWBQ-CABCVRRESA-N 1 1 369.575 3.401 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000295603967 499061772 /nfs/dbraw/zinc/06/17/72/499061772.db2.gz XMUINHKZWQAOMN-IEBWSBKVSA-N 1 1 357.498 3.113 20 30 FGEDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(OCC(F)(F)F)nc1 ZINC000329191584 499067292 /nfs/dbraw/zinc/06/72/92/499067292.db2.gz SKUFTPNYQHBOCQ-CYBMUJFWSA-N 1 1 357.376 3.344 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000329209806 499073179 /nfs/dbraw/zinc/07/31/79/499073179.db2.gz CHARNOOXHGLBSH-APWZRJJASA-N 1 1 367.497 3.339 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366803867 499079454 /nfs/dbraw/zinc/07/94/54/499079454.db2.gz DOMKYGIILYGVID-WOJBJXKFSA-N 1 1 366.440 3.284 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366803867 499079458 /nfs/dbraw/zinc/07/94/58/499079458.db2.gz DOMKYGIILYGVID-WOJBJXKFSA-N 1 1 366.440 3.284 20 30 FGEDMO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329253196 499084509 /nfs/dbraw/zinc/08/45/09/499084509.db2.gz ZAYOKZOMXKOQFI-WMLDXEAASA-N 1 1 360.458 3.126 20 30 FGEDMO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000329253196 499084512 /nfs/dbraw/zinc/08/45/12/499084512.db2.gz ZAYOKZOMXKOQFI-WMLDXEAASA-N 1 1 360.458 3.126 20 30 FGEDMO N#Cc1ccc(N2CCC[N@@H+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000366848973 499093360 /nfs/dbraw/zinc/09/33/60/499093360.db2.gz YDCLCGZHPMWDNN-UHFFFAOYSA-N 1 1 352.482 3.171 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)ccc1Cl ZINC000291927712 499104509 /nfs/dbraw/zinc/10/45/09/499104509.db2.gz SRWSSJPDWYTGSP-KRWDZBQOSA-N 1 1 371.872 3.039 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](n3cccn3)C2)ccc1Cl ZINC000291927712 499104514 /nfs/dbraw/zinc/10/45/14/499104514.db2.gz SRWSSJPDWYTGSP-KRWDZBQOSA-N 1 1 371.872 3.039 20 30 FGEDMO Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000329414894 499117499 /nfs/dbraw/zinc/11/74/99/499117499.db2.gz CSNDRLNUXWRWFL-WOJBJXKFSA-N 1 1 367.497 3.017 20 30 FGEDMO C[C@H](CN1CCCC1=O)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329414857 499117753 /nfs/dbraw/zinc/11/77/53/499117753.db2.gz CQYWWEXKTYXRHA-WBVHZDCISA-N 1 1 372.513 3.461 20 30 FGEDMO Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)nn1-c1cccc(Cl)c1 ZINC000329453135 499123928 /nfs/dbraw/zinc/12/39/28/499123928.db2.gz NNAWIGRTATUSRO-IAGOWNOFSA-N 1 1 373.888 3.209 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2nc(C3CCOCC3)cs2)C[C@H]1C ZINC000329457072 499124151 /nfs/dbraw/zinc/12/41/51/499124151.db2.gz QMNNKMCVZVQVGD-HIFRSBDPSA-N 1 1 366.531 3.387 20 30 FGEDMO C[N@@H+](CC(=O)NC1CCOCC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000329470348 499126092 /nfs/dbraw/zinc/12/60/92/499126092.db2.gz YDBPDRIWXLXKJU-QZTJIDSGSA-N 1 1 350.434 3.113 20 30 FGEDMO CC[C@@]1(C)CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1 ZINC000329520322 499129064 /nfs/dbraw/zinc/12/90/64/499129064.db2.gz QIYAPCRJHDNTNX-HQRMLTQVSA-N 1 1 361.534 3.229 20 30 FGEDMO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@]12CCCO2 ZINC000329522200 499129077 /nfs/dbraw/zinc/12/90/77/499129077.db2.gz PIXBTIFAHGXOND-HUUJSLGLSA-N 1 1 358.482 3.334 20 30 FGEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCc3nc(C(C)(C)C)cn3C1)C2 ZINC000329524504 499129181 /nfs/dbraw/zinc/12/91/81/499129181.db2.gz QLKXQMVTSUNCJI-GJZGRUSLSA-N 1 1 355.486 3.219 20 30 FGEDMO CN(C(=O)c1ccc(NCc2ccc(C#N)cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000367069625 499143695 /nfs/dbraw/zinc/14/36/95/499143695.db2.gz XMQKFRMALZLKKS-NRFANRHFSA-N 1 1 362.477 3.337 20 30 FGEDMO Cc1cc(CN2CCC([N@@H+](C)Cc3cn4ccccc4c3C#N)CC2)on1 ZINC000369907287 499149913 /nfs/dbraw/zinc/14/99/13/499149913.db2.gz XOBOMZGEHZULIL-UHFFFAOYSA-N 1 1 363.465 3.204 20 30 FGEDMO Cc1cc(C[NH+]2CCC(N(C)Cc3cn4ccccc4c3C#N)CC2)on1 ZINC000369907287 499149915 /nfs/dbraw/zinc/14/99/15/499149915.db2.gz XOBOMZGEHZULIL-UHFFFAOYSA-N 1 1 363.465 3.204 20 30 FGEDMO N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000367143902 499154348 /nfs/dbraw/zinc/15/43/48/499154348.db2.gz NHOGMBPJTCAUOP-KRWDZBQOSA-N 1 1 368.868 3.249 20 30 FGEDMO C#CCOc1ccc(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cc1 ZINC000367209940 499162300 /nfs/dbraw/zinc/16/23/00/499162300.db2.gz XRCZWJSTSFDERQ-SFHVURJKSA-N 1 1 352.478 3.035 20 30 FGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1 ZINC000367226948 499164978 /nfs/dbraw/zinc/16/49/78/499164978.db2.gz RUZYPTKBAAJYJN-FUHWJXTLSA-N 1 1 364.449 3.223 20 30 FGEDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000372810079 499178129 /nfs/dbraw/zinc/17/81/29/499178129.db2.gz NAEXDGOEWNTREK-AWEZNQCLSA-N 1 1 359.271 3.434 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc1C#N ZINC000367688981 499225170 /nfs/dbraw/zinc/22/51/70/499225170.db2.gz PXBBOCIRJOFTKN-OAQYLSRUSA-N 1 1 354.425 3.133 20 30 FGEDMO C[N@H+]1CC[C@H](CNc2cc(N)c([N+](=O)[O-])c(C#N)c2)[C@H]1c1cccs1 ZINC000367727560 499228726 /nfs/dbraw/zinc/22/87/26/499228726.db2.gz IIIXUGQZDLMJDR-DIFFPNOSSA-N 1 1 357.439 3.215 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCSCC#N)C2 ZINC000367865664 499239788 /nfs/dbraw/zinc/23/97/88/499239788.db2.gz RDFNIKZQKMNBRY-SFHVURJKSA-N 1 1 353.532 3.356 20 30 FGEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cccc(C#Cc3ccccn3)c1)C2 ZINC000368239945 499277256 /nfs/dbraw/zinc/27/72/56/499277256.db2.gz JMFDASKRIABCPD-SFHVURJKSA-N 1 1 356.429 3.187 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](n4cnc5ccccc54)C3)n2c1 ZINC000371420571 499324294 /nfs/dbraw/zinc/32/42/94/499324294.db2.gz ZPPDXYQDGBZASI-QGZVFWFLSA-N 1 1 356.433 3.393 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](n4cnc5ccccc54)C3)n2c1 ZINC000371420570 499324485 /nfs/dbraw/zinc/32/44/85/499324485.db2.gz ZPPDXYQDGBZASI-KRWDZBQOSA-N 1 1 356.433 3.393 20 30 FGEDMO Cn1cc(C[N@H+]2CCc3ccccc3[C@H]2CO)c(-c2ccc(C#N)cc2)n1 ZINC000371529848 499338681 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3.337 20 30 FGEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000447837145 500673863 /nfs/dbraw/zinc/67/38/63/500673863.db2.gz ZPRFBQIMRYPERJ-WBVHZDCISA-N 1 1 363.889 3.212 20 30 FGEDMO COCC[N@@H+]([C@@H]1CC[C@@H](C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447878895 500683388 /nfs/dbraw/zinc/68/33/88/500683388.db2.gz LOFDKTFUEXXESN-NSISKUIASA-N 1 1 355.482 3.191 20 30 FGEDMO COCC[N@@H+]([C@H]1CCC[C@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877568 500683816 /nfs/dbraw/zinc/68/38/16/500683816.db2.gz FIMQJJRCXJDWHH-LSTHTHJFSA-N 1 1 355.482 3.191 20 30 FGEDMO Cc1cccc(C)c1OCCC[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000573542886 506209868 /nfs/dbraw/zinc/20/98/68/506209868.db2.gz XTVDEXNKVXAVON-UHFFFAOYSA-N 1 1 350.466 3.161 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000438063452 500733002 /nfs/dbraw/zinc/73/30/02/500733002.db2.gz CDCPFNOSINRMSR-JBACZVJFSA-N 1 1 371.525 3.274 20 30 FGEDMO C[C@@H](CNC(=O)c1cccc(C#N)c1Br)[N@H+]1CCCC[C@@H]1C ZINC000448696333 500806762 /nfs/dbraw/zinc/80/67/62/500806762.db2.gz GUKXKPFZFCIPJT-STQMWFEESA-N 1 1 364.287 3.313 20 30 FGEDMO CCCN(C(=O)c1ccc(C#N)n1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000448858865 500854107 /nfs/dbraw/zinc/85/41/07/500854107.db2.gz KQSQSRKLYSCATQ-FQEVSTJZSA-N 1 1 364.493 3.414 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000439294199 500882020 /nfs/dbraw/zinc/88/20/20/500882020.db2.gz KERMRPLOLPHEHS-BZUAXINKSA-N 1 1 361.511 3.112 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](CC(F)(F)F)C3)C2=O)cc1 ZINC000444716299 500885911 /nfs/dbraw/zinc/88/59/11/500885911.db2.gz JERWBDKFIYLGQY-GDBMZVCRSA-N 1 1 351.372 3.328 20 30 FGEDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000444783426 500900266 /nfs/dbraw/zinc/90/02/66/500900266.db2.gz KWCGKMLIUGCLIZ-FQEVSTJZSA-N 1 1 357.454 3.085 20 30 FGEDMO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000444784434 500900349 /nfs/dbraw/zinc/90/03/49/500900349.db2.gz VQKYYSAAGOMGKZ-NVXWUHKLSA-N 1 1 353.388 3.387 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000444817794 500907222 /nfs/dbraw/zinc/90/72/22/500907222.db2.gz QQCVNWPKXDGQST-LJQANCHMSA-N 1 1 354.450 3.217 20 30 FGEDMO C=CC[C@@H]1N(C(=O)NCCCCN2CC[NH+](CC)CC2)CCCC1(C)C ZINC000444845113 500909963 /nfs/dbraw/zinc/90/99/63/500909963.db2.gz DVEVXZOHZRZRGB-IBGZPJMESA-N 1 1 364.578 3.180 20 30 FGEDMO Cc1ccc(CNC(=O)Nc2ccc(F)cc2C#N)c(N2CCCC2)[nH+]1 ZINC000611596551 506225514 /nfs/dbraw/zinc/22/55/14/506225514.db2.gz YGBLDDGBMUOVIA-UHFFFAOYSA-N 1 1 353.401 3.323 20 30 FGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)OC)C2)c1 ZINC000449349165 500983624 /nfs/dbraw/zinc/98/36/24/500983624.db2.gz PPIMNWIJRKORIB-LEWJYISDSA-N 1 1 367.445 3.346 20 30 FGEDMO N#Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)nc2ccccc12 ZINC000435603901 501000672 /nfs/dbraw/zinc/00/06/72/501000672.db2.gz MDMUSBGEICVFHM-YADHBBJMSA-N 1 1 370.456 3.196 20 30 FGEDMO N#Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)nc2ccccc12 ZINC000435603901 501000674 /nfs/dbraw/zinc/00/06/74/501000674.db2.gz MDMUSBGEICVFHM-YADHBBJMSA-N 1 1 370.456 3.196 20 30 FGEDMO N#CC1(CS(=O)(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCCCC1 ZINC000435628326 501004730 /nfs/dbraw/zinc/00/47/30/501004730.db2.gz QJILLYBTXPVJQX-GOSISDBHSA-N 1 1 367.559 3.177 20 30 FGEDMO N#CCCCn1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000435656982 501007914 /nfs/dbraw/zinc/00/79/14/501007914.db2.gz SRFQZKPQADDOIZ-MRXNPFEDSA-N 1 1 350.466 3.159 20 30 FGEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000592763202 506233800 /nfs/dbraw/zinc/23/38/00/506233800.db2.gz ZORBKEOXYRPUSA-MRXNPFEDSA-N 1 1 366.465 3.338 20 30 FGEDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cccc(C#N)c1Br ZINC000449889606 501117858 /nfs/dbraw/zinc/11/78/58/501117858.db2.gz SVQQFBMDTJRODB-JSGCOSHPSA-N 1 1 362.271 3.020 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000441374586 501129817 /nfs/dbraw/zinc/12/98/17/501129817.db2.gz WGSFACUTAZLFPK-AWEZNQCLSA-N 1 1 371.378 3.320 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000441374586 501129823 /nfs/dbraw/zinc/12/98/23/501129823.db2.gz WGSFACUTAZLFPK-AWEZNQCLSA-N 1 1 371.378 3.320 20 30 FGEDMO C=CCC1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCC1 ZINC000450522174 501143993 /nfs/dbraw/zinc/14/39/93/501143993.db2.gz WPPADCSPLPKRMS-FQEVSTJZSA-N 1 1 356.510 3.396 20 30 FGEDMO C[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC[N@H+](C2CC2)C1 ZINC000450548767 501151703 /nfs/dbraw/zinc/15/17/03/501151703.db2.gz UCPSVMNJBQJKLM-LLVKDONJSA-N 1 1 360.383 3.444 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450023872 501157356 /nfs/dbraw/zinc/15/73/56/501157356.db2.gz OURQBRGXTXCZMG-RZUBCFFCSA-N 1 1 354.494 3.092 20 30 FGEDMO CC(=O)Nc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000446913195 501180533 /nfs/dbraw/zinc/18/05/33/501180533.db2.gz RVUTXYANCFMJME-UHFFFAOYSA-N 1 1 368.868 3.492 20 30 FGEDMO Cn1cnc2cc(C[NH+]3CCN(c4ccc(C#N)cc4Cl)CC3)ccc21 ZINC000446910034 501180660 /nfs/dbraw/zinc/18/06/60/501180660.db2.gz GSKIIUUHXCTCGQ-UHFFFAOYSA-N 1 1 365.868 3.421 20 30 FGEDMO N#CC(CC[N@H+]1CCc2cnc(N)nc2C1)(c1ccccc1)c1ccccc1 ZINC000598949637 506240128 /nfs/dbraw/zinc/24/01/28/506240128.db2.gz LFMQABQBURULLX-UHFFFAOYSA-N 1 1 369.472 3.147 20 30 FGEDMO N#CC(CC[N@@H+]1CCc2cnc(N)nc2C1)(c1ccccc1)c1ccccc1 ZINC000598949637 506240137 /nfs/dbraw/zinc/24/01/37/506240137.db2.gz LFMQABQBURULLX-UHFFFAOYSA-N 1 1 369.472 3.147 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000450195615 501207157 /nfs/dbraw/zinc/20/71/57/501207157.db2.gz VGCLBDJGGNFCID-OTNPHJDUSA-N 1 1 371.525 3.040 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000450195615 501207160 /nfs/dbraw/zinc/20/71/60/501207160.db2.gz VGCLBDJGGNFCID-OTNPHJDUSA-N 1 1 371.525 3.040 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)cc1 ZINC000450228585 501214563 /nfs/dbraw/zinc/21/45/63/501214563.db2.gz BGIDHZZWQXJSGA-UHFFFAOYSA-N 1 1 361.405 3.050 20 30 FGEDMO N#CC1(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)CC1 ZINC000451190250 501251067 /nfs/dbraw/zinc/25/10/67/501251067.db2.gz KXIPEWBKTJZZRT-CQSZACIVSA-N 1 1 366.246 3.459 20 30 FGEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(C#N)c1Br ZINC000451296595 501259281 /nfs/dbraw/zinc/25/92/81/501259281.db2.gz PXCCBVDFWILMKB-CQSZACIVSA-N 1 1 364.287 3.171 20 30 FGEDMO COCC[N@@H+](C)CC[C@H](NC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000455272979 501260241 /nfs/dbraw/zinc/26/02/41/501260241.db2.gz LLIPPRYNTJUQGU-IHPCNDPISA-N 1 1 372.513 3.078 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451333119 501268072 /nfs/dbraw/zinc/26/80/72/501268072.db2.gz QXNOHDSZEBVOGP-SFHVURJKSA-N 1 1 357.841 3.206 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1C ZINC000451424013 501290238 /nfs/dbraw/zinc/29/02/38/501290238.db2.gz SKCJYEJJIRZWIZ-NRSPTQNISA-N 1 1 369.509 3.176 20 30 FGEDMO C=CCn1c(CCc2ccco2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453424398 501328383 /nfs/dbraw/zinc/32/83/83/501328383.db2.gz JEFHDQPELKSSAV-JENIJYKNSA-N 1 1 369.513 3.009 20 30 FGEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000453425723 501329340 /nfs/dbraw/zinc/32/93/40/501329340.db2.gz OQTCFBODMPKZHT-SFHVURJKSA-N 1 1 357.477 3.113 20 30 FGEDMO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453432188 501330880 /nfs/dbraw/zinc/33/08/80/501330880.db2.gz FUWVTRZLNJTCKM-OAHLLOKOSA-N 1 1 355.486 3.343 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000453463979 501339232 /nfs/dbraw/zinc/33/92/32/501339232.db2.gz KJBZSKDIGFLBOA-KRWDZBQOSA-N 1 1 373.526 3.089 20 30 FGEDMO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453467706 501340114 /nfs/dbraw/zinc/34/01/14/501340114.db2.gz ROZVWDXIIVHGOB-XYJFISCASA-N 1 1 355.486 3.281 20 30 FGEDMO C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453467632 501340277 /nfs/dbraw/zinc/34/02/77/501340277.db2.gz ROZVWDXIIVHGOB-JFIYKMOQSA-N 1 1 355.486 3.281 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000453468602 501340458 /nfs/dbraw/zinc/34/04/58/501340458.db2.gz USXSAXFFZQBAHA-SFHVURJKSA-N 1 1 359.518 3.160 20 30 FGEDMO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)s1 ZINC000453587043 501355219 /nfs/dbraw/zinc/35/52/19/501355219.db2.gz QYNVVQSWCAFQRI-UHFFFAOYSA-N 1 1 355.463 3.037 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c1C ZINC000451711996 501357488 /nfs/dbraw/zinc/35/74/88/501357488.db2.gz QRAWDJKFZSAJPI-AABGKKOBSA-N 1 1 369.509 3.033 20 30 FGEDMO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458200420 501390515 /nfs/dbraw/zinc/39/05/15/501390515.db2.gz PKYKDYMQZIFKDI-RYGJVYDSSA-N 1 1 351.425 3.070 20 30 FGEDMO C[C@@H](CNC(=O)Nc1cccc(CC#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000455921878 501416220 /nfs/dbraw/zinc/41/62/20/501416220.db2.gz PYNQNLWQWWWWDV-AWEZNQCLSA-N 1 1 354.479 3.382 20 30 FGEDMO C[C@@H](CNC(=O)Nc1cccc(CC#N)c1)[N@H+]1CCc2sccc2C1 ZINC000455921878 501416222 /nfs/dbraw/zinc/41/62/22/501416222.db2.gz PYNQNLWQWWWWDV-AWEZNQCLSA-N 1 1 354.479 3.382 20 30 FGEDMO Cc1cc(C#N)cc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000455981793 501430988 /nfs/dbraw/zinc/43/09/88/501430988.db2.gz HCXYIIBGKPEYRH-UHFFFAOYSA-N 1 1 354.479 3.320 20 30 FGEDMO CC#CCN(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458612745 501488427 /nfs/dbraw/zinc/48/84/27/501488427.db2.gz IUTSMLBDGAXDLD-RHSMWYFYSA-N 1 1 351.853 3.137 20 30 FGEDMO C[C@H]1C[N@@H+](CCCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CCCO1 ZINC000458707784 501512008 /nfs/dbraw/zinc/51/20/08/501512008.db2.gz BAXMOLFXDYQWNZ-ICSRJNTNSA-N 1 1 372.513 3.222 20 30 FGEDMO C[N@@H+](CCCCNC(=O)c1ccc(COc2ccccc2C#N)o1)C1CC1 ZINC000457206336 501664971 /nfs/dbraw/zinc/66/49/71/501664971.db2.gz RUTNHTWFBIFAAK-UHFFFAOYSA-N 1 1 367.449 3.334 20 30 FGEDMO N#Cc1ccc(OC2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)c(F)c1 ZINC000459541269 501672940 /nfs/dbraw/zinc/67/29/40/501672940.db2.gz TVENPYCFKFQJIE-UHFFFAOYSA-N 1 1 352.413 3.408 20 30 FGEDMO Cc1nsc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C#N ZINC000459552084 501675033 /nfs/dbraw/zinc/67/50/33/501675033.db2.gz QTHPNRFLAMXITK-AWEZNQCLSA-N 1 1 359.455 3.265 20 30 FGEDMO CCN(C(=O)Nc1snc(C)c1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459558840 501676583 /nfs/dbraw/zinc/67/65/83/501676583.db2.gz JVNUFXGFACWKTB-INIZCTEOSA-N 1 1 369.494 3.452 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000459749706 501708444 /nfs/dbraw/zinc/70/84/44/501708444.db2.gz YNMJEMCOCLTVJC-UHFFFAOYSA-N 1 1 360.502 3.072 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000459803202 501716311 /nfs/dbraw/zinc/71/63/11/501716311.db2.gz YZQHYZAZVFGKCS-IRXDYDNUSA-N 1 1 353.470 3.023 20 30 FGEDMO C=CCOCCC[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000470768420 501796432 /nfs/dbraw/zinc/79/64/32/501796432.db2.gz ZRBBBMRAUNILJP-INIZCTEOSA-N 1 1 350.890 3.008 20 30 FGEDMO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC000481557003 501813290 /nfs/dbraw/zinc/81/32/90/501813290.db2.gz UNGOTBOBKMJWRX-OXJNMPFZSA-N 1 1 351.425 3.493 20 30 FGEDMO C=CCSc1ccccc1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000485456292 501826613 /nfs/dbraw/zinc/82/66/13/501826613.db2.gz RJVOZAXUMHLFPF-GOSISDBHSA-N 1 1 373.566 3.207 20 30 FGEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460550795 501858824 /nfs/dbraw/zinc/85/88/24/501858824.db2.gz IBSVTAZSEMMRLK-MJGOQNOKSA-N 1 1 371.529 3.399 20 30 FGEDMO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000485726967 501917247 /nfs/dbraw/zinc/91/72/47/501917247.db2.gz IOEBOZICRFJTQL-INIZCTEOSA-N 1 1 369.490 3.291 20 30 FGEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460807330 501925193 /nfs/dbraw/zinc/92/51/93/501925193.db2.gz SAHLFZJTMBSLFC-IAGOWNOFSA-N 1 1 356.518 3.169 20 30 FGEDMO C=CCOc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000478367857 501957118 /nfs/dbraw/zinc/95/71/18/501957118.db2.gz GFHOMESCQLEBRF-MOPGFXCFSA-N 1 1 366.461 3.088 20 30 FGEDMO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCOc1ccc(C#N)cc1OC ZINC000482141650 501988189 /nfs/dbraw/zinc/98/81/89/501988189.db2.gz KJJIBUQPPQYJQZ-OALUTQOASA-N 1 1 359.514 3.436 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1 ZINC000475058589 502040406 /nfs/dbraw/zinc/04/04/06/502040406.db2.gz ZQIHQGRYFUPIKI-LAUBAEHRSA-N 1 1 362.477 3.268 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000461258281 502053162 /nfs/dbraw/zinc/05/31/62/502053162.db2.gz BDMCWGQWEIEULM-AZUAARDMSA-N 1 1 357.498 3.294 20 30 FGEDMO C[N@H+]1C[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000592882341 506291052 /nfs/dbraw/zinc/29/10/52/506291052.db2.gz RBIFPNCMWRNLDH-CTNGQTDRSA-N 1 1 359.473 3.051 20 30 FGEDMO C=C(C)[C@H](CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)OCC ZINC000461446702 502118095 /nfs/dbraw/zinc/11/80/95/502118095.db2.gz DWMBFILLMJTXNP-NJYVYQBISA-N 1 1 356.510 3.338 20 30 FGEDMO CC(C)C[C@@H](CNc1c(C#N)cnc2ccc(Cl)cc21)[NH+]1CCOCC1 ZINC000461459301 502122899 /nfs/dbraw/zinc/12/28/99/502122899.db2.gz CFFTXYWDEWJXFK-KRWDZBQOSA-N 1 1 372.900 3.341 20 30 FGEDMO N#Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1Cl ZINC000599054265 506296409 /nfs/dbraw/zinc/29/64/09/506296409.db2.gz MACRTGMCMUCYQX-QGZVFWFLSA-N 1 1 360.889 3.418 20 30 FGEDMO C=CCCC1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000475462557 502179303 /nfs/dbraw/zinc/17/93/03/502179303.db2.gz HDWMSVSAEMCPSG-KRWDZBQOSA-N 1 1 355.482 3.069 20 30 FGEDMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)NC3(C#N)CCC3)ccc2c1 ZINC000468803415 502189749 /nfs/dbraw/zinc/18/97/49/502189749.db2.gz CXEJOAQEOWSOSH-OAHLLOKOSA-N 1 1 351.450 3.231 20 30 FGEDMO CO[C@@H]1CCCN(c2[nH+]c(C)cc(N3CCC[C@H](OC)CC3)c2C#N)CC1 ZINC000596190505 506301365 /nfs/dbraw/zinc/30/13/65/506301365.db2.gz SERNSUDJLUFDDB-ZWKOTPCHSA-N 1 1 372.513 3.272 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)ccc1OC ZINC000475642840 502240756 /nfs/dbraw/zinc/24/07/56/502240756.db2.gz VONQHFSKFVCBPA-GHTZIAJQSA-N 1 1 361.482 3.420 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)ccc1OC ZINC000475642840 502240762 /nfs/dbraw/zinc/24/07/62/502240762.db2.gz VONQHFSKFVCBPA-GHTZIAJQSA-N 1 1 361.482 3.420 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000461961309 502254023 /nfs/dbraw/zinc/25/40/23/502254023.db2.gz ACWPHZIRESNFMA-OXJNMPFZSA-N 1 1 366.465 3.403 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000461961309 502254028 /nfs/dbraw/zinc/25/40/28/502254028.db2.gz ACWPHZIRESNFMA-OXJNMPFZSA-N 1 1 366.465 3.403 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCC[C@@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC000461970572 502258583 /nfs/dbraw/zinc/25/85/83/502258583.db2.gz VYBKNMMANQUBOK-AFYVEPGGSA-N 1 1 354.498 3.373 20 30 FGEDMO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000475734011 502271100 /nfs/dbraw/zinc/27/11/00/502271100.db2.gz MHNLNZLJHVOVBR-IBGZPJMESA-N 1 1 362.433 3.298 20 30 FGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000475734011 502271102 /nfs/dbraw/zinc/27/11/02/502271102.db2.gz MHNLNZLJHVOVBR-IBGZPJMESA-N 1 1 362.433 3.298 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)C1=O ZINC000483114046 502278089 /nfs/dbraw/zinc/27/80/89/502278089.db2.gz KDMBALCCGKQBIG-WBVHZDCISA-N 1 1 355.438 3.354 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)C1=O ZINC000483114046 502278094 /nfs/dbraw/zinc/27/80/94/502278094.db2.gz KDMBALCCGKQBIG-WBVHZDCISA-N 1 1 355.438 3.354 20 30 FGEDMO C[C@@H](C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000462027107 502279145 /nfs/dbraw/zinc/27/91/45/502279145.db2.gz WKOHDGCBTFXELI-FGTMMUONSA-N 1 1 369.509 3.010 20 30 FGEDMO COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000486865067 502286913 /nfs/dbraw/zinc/28/69/13/502286913.db2.gz KBUTXYIPLFLGLG-LJQANCHMSA-N 1 1 369.852 3.111 20 30 FGEDMO N#Cc1cccc(OCC[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)c1 ZINC000472281891 502297682 /nfs/dbraw/zinc/29/76/82/502297682.db2.gz CUHZPYCITHMPDB-FQEVSTJZSA-N 1 1 363.461 3.222 20 30 FGEDMO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccc(F)c1 ZINC000472323136 502314974 /nfs/dbraw/zinc/31/49/74/502314974.db2.gz SYJPKSGKRYGAJH-QVKFZJNVSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccc(F)c1 ZINC000472323136 502314980 /nfs/dbraw/zinc/31/49/80/502314980.db2.gz SYJPKSGKRYGAJH-QVKFZJNVSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469156220 502318568 /nfs/dbraw/zinc/31/85/68/502318568.db2.gz DDXATKQLCYVDSF-JTDSTZFVSA-N 1 1 354.498 3.410 20 30 FGEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469434030 502415767 /nfs/dbraw/zinc/41/57/67/502415767.db2.gz LIELPFYMNFWIHL-KRWDZBQOSA-N 1 1 352.482 3.359 20 30 FGEDMO C[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000479953828 502429417 /nfs/dbraw/zinc/42/94/17/502429417.db2.gz YOZMMOSOFNOAOF-IAGOWNOFSA-N 1 1 351.498 3.311 20 30 FGEDMO C[C@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000479953828 502429424 /nfs/dbraw/zinc/42/94/24/502429424.db2.gz YOZMMOSOFNOAOF-IAGOWNOFSA-N 1 1 351.498 3.311 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C[N@H+]1C1CC1 ZINC000469554789 502459965 /nfs/dbraw/zinc/45/99/65/502459965.db2.gz SNZJLEDUWZXPQE-HZPDHXFCSA-N 1 1 350.466 3.300 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480102962 502473808 /nfs/dbraw/zinc/47/38/08/502473808.db2.gz KNTZRXVHCUIUPG-GOSISDBHSA-N 1 1 371.444 3.172 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480102962 502473813 /nfs/dbraw/zinc/47/38/13/502473813.db2.gz KNTZRXVHCUIUPG-GOSISDBHSA-N 1 1 371.444 3.172 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000588702185 506315807 /nfs/dbraw/zinc/31/58/07/506315807.db2.gz YSSRCNRAGSENGW-JLAWEPINSA-N 1 1 370.497 3.024 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](CO)c2ccsc2)c1 ZINC000473173974 502535976 /nfs/dbraw/zinc/53/59/76/502535976.db2.gz OQSPQGHWPXLVNH-QFBILLFUSA-N 1 1 371.506 3.323 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000487961394 502581173 /nfs/dbraw/zinc/58/11/73/502581173.db2.gz VVTLNEAMLRBJGT-VXGBXAGGSA-N 1 1 365.275 3.267 20 30 FGEDMO Cc1ccc2ncc(C#N)c(N3CC[NH+](Cc4cccc(O)c4)CC3)c2c1 ZINC000488053011 502612733 /nfs/dbraw/zinc/61/27/33/502612733.db2.gz DBHHPYOOWZXLRJ-UHFFFAOYSA-N 1 1 358.445 3.443 20 30 FGEDMO C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@@H]1C ZINC000462927837 502629774 /nfs/dbraw/zinc/62/97/74/502629774.db2.gz IFSKJPODMSZMPH-UONOGXRCSA-N 1 1 353.426 3.111 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@H](O)C2(C)C)ccc1OCc1cccc(C#N)c1 ZINC000463235952 502732191 /nfs/dbraw/zinc/73/21/91/502732191.db2.gz OKPDMLZCPLOXGS-OAQYLSRUSA-N 1 1 366.461 3.491 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(Br)c1 ZINC000481034046 502734971 /nfs/dbraw/zinc/73/49/71/502734971.db2.gz KWEMEFGZRRSUOO-INIZCTEOSA-N 1 1 365.271 3.091 20 30 FGEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000463429460 502797517 /nfs/dbraw/zinc/79/75/17/502797517.db2.gz JPVFBBYGKJOAGD-QFIPXVFZSA-N 1 1 350.462 3.254 20 30 FGEDMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000495385196 502832538 /nfs/dbraw/zinc/83/25/38/502832538.db2.gz JIBALKUOZLLJRH-UHFFFAOYSA-N 1 1 369.387 3.360 20 30 FGEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000495385196 502832540 /nfs/dbraw/zinc/83/25/40/502832540.db2.gz JIBALKUOZLLJRH-UHFFFAOYSA-N 1 1 369.387 3.360 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000495443542 502839152 /nfs/dbraw/zinc/83/91/52/502839152.db2.gz COXSGRGDBNWXCC-PMACEKPBSA-N 1 1 371.525 3.279 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000495443542 502839154 /nfs/dbraw/zinc/83/91/54/502839154.db2.gz COXSGRGDBNWXCC-PMACEKPBSA-N 1 1 371.525 3.279 20 30 FGEDMO N#CCN1CC[NH+](Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000513128332 502858769 /nfs/dbraw/zinc/85/87/69/502858769.db2.gz PWCZFYRBLFMYFJ-UHFFFAOYSA-N 1 1 360.255 3.350 20 30 FGEDMO C=CCn1cccc1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000489079810 502874804 /nfs/dbraw/zinc/87/48/04/502874804.db2.gz XEVVTCQZBFNMDY-UHFFFAOYSA-N 1 1 359.420 3.347 20 30 FGEDMO CC(C)[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@H+]1C ZINC000489321444 502927877 /nfs/dbraw/zinc/92/78/77/502927877.db2.gz ZPAAFAUJASQPTQ-LJQANCHMSA-N 1 1 364.449 3.158 20 30 FGEDMO CCc1ccc([C@H]2CN(C(=O)CSc3ccc(C#N)cc3)CC[NH2+]2)cc1 ZINC000505535274 502929359 /nfs/dbraw/zinc/92/93/59/502929359.db2.gz BNIGDTKVFLLYSP-HXUWFJFHSA-N 1 1 365.502 3.386 20 30 FGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000489426315 502955007 /nfs/dbraw/zinc/95/50/07/502955007.db2.gz MVYJVJGGMMUUAF-VQIMIIECSA-N 1 1 358.482 3.408 20 30 FGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000489483808 502969804 /nfs/dbraw/zinc/96/98/04/502969804.db2.gz WFSUZUMXSYDFAN-FQEVSTJZSA-N 1 1 366.509 3.205 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000489483808 502969806 /nfs/dbraw/zinc/96/98/06/502969806.db2.gz WFSUZUMXSYDFAN-FQEVSTJZSA-N 1 1 366.509 3.205 20 30 FGEDMO CC[N@@H+](Cc1ccc(C(=O)N2CCC(C#N)(COC)CC2)cc1)C1CC1 ZINC000501338980 502987676 /nfs/dbraw/zinc/98/76/76/502987676.db2.gz XCLIFLQNYCZAJF-UHFFFAOYSA-N 1 1 355.482 3.063 20 30 FGEDMO CC[C@@H](OCC[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1 ZINC000593030220 506345625 /nfs/dbraw/zinc/34/56/25/506345625.db2.gz LFJHTCJRVVFWLA-OAQYLSRUSA-N 1 1 350.466 3.243 20 30 FGEDMO CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621231 503002488 /nfs/dbraw/zinc/00/24/88/503002488.db2.gz UDPAQJQKRSAISQ-KXBFYZLASA-N 1 1 369.421 3.289 20 30 FGEDMO C[C@@H]1CCN(C(=O)Cc2c(F)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000513698110 503003561 /nfs/dbraw/zinc/00/35/61/503003561.db2.gz WOWVIVKQVLPTIZ-QGZVFWFLSA-N 1 1 365.452 3.363 20 30 FGEDMO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909713 506347669 /nfs/dbraw/zinc/34/76/69/506347669.db2.gz LZJRMCOAKMFOII-AWEZNQCLSA-N 1 1 360.421 3.339 20 30 FGEDMO O=C(NCC#Cc1cccc(F)c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000513918291 503049223 /nfs/dbraw/zinc/04/92/23/503049223.db2.gz IPCMVJCVMAFUPT-IBGZPJMESA-N 1 1 368.427 3.345 20 30 FGEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000506183586 503065280 /nfs/dbraw/zinc/06/52/80/503065280.db2.gz RONQGDGCLUYIMP-OXQOHEQNSA-N 1 1 365.518 3.019 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000510187711 503067415 /nfs/dbraw/zinc/06/74/15/503067415.db2.gz ZYFPNBLRQRZMMS-LMMKCTJWSA-N 1 1 357.498 3.476 20 30 FGEDMO C=CCOc1ccccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000497982180 503080771 /nfs/dbraw/zinc/08/07/71/503080771.db2.gz LLEJWWBNSMWDQQ-UHFFFAOYSA-N 1 1 350.462 3.252 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000506511468 503128926 /nfs/dbraw/zinc/12/89/26/503128926.db2.gz ORDYRTFLHNNZJN-MRXNPFEDSA-N 1 1 357.473 3.500 20 30 FGEDMO N#Cc1cccc(C2(NC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)CC2)c1 ZINC000498291239 503151255 /nfs/dbraw/zinc/15/12/55/503151255.db2.gz FOGOHNYBWHWBBV-IBGZPJMESA-N 1 1 352.482 3.111 20 30 FGEDMO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)nc1 ZINC000593040972 506355456 /nfs/dbraw/zinc/35/54/56/506355456.db2.gz LAONZIJBZDPWEM-HNNXBMFYSA-N 1 1 364.449 3.168 20 30 FGEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2ccn(C)n2)cc1OC ZINC000498355691 503166314 /nfs/dbraw/zinc/16/63/14/503166314.db2.gz VKRLGZIRPIFGSC-UHFFFAOYSA-N 1 1 366.259 3.046 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000498419003 503183393 /nfs/dbraw/zinc/18/33/93/503183393.db2.gz HFMIIPSAAOBXNV-AEFFLSMTSA-N 1 1 359.376 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CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000602945482 506361996 /nfs/dbraw/zinc/36/19/96/506361996.db2.gz WKAPRDNWFUEGJG-FOIQADDNSA-N 1 1 361.461 3.112 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593055491 506363908 /nfs/dbraw/zinc/36/39/08/506363908.db2.gz KQXBNARVHDXABI-ZWKOTPCHSA-N 1 1 373.497 3.220 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593055491 506363911 /nfs/dbraw/zinc/36/39/11/506363911.db2.gz KQXBNARVHDXABI-ZWKOTPCHSA-N 1 1 373.497 3.220 20 30 FGEDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000491992797 503342132 /nfs/dbraw/zinc/34/21/32/503342132.db2.gz ACMCKZKCNYWWQE-LBPRGKRZSA-N 1 1 370.375 3.057 20 30 FGEDMO COc1cccc(C[C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000515496041 503350842 /nfs/dbraw/zinc/35/08/42/503350842.db2.gz NWTXXAKVTHVJQN-WOJBJXKFSA-N 1 1 366.461 3.014 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[C@@H]1C#N ZINC000602976422 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ZINC000512815510 503638589 /nfs/dbraw/zinc/63/85/89/503638589.db2.gz CNBSFHATLOBJTI-MRXNPFEDSA-N 1 1 365.424 3.111 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000517216985 503678316 /nfs/dbraw/zinc/67/83/16/503678316.db2.gz DFULJQOSZRHUJG-JQHSSLGASA-N 1 1 373.522 3.256 20 30 FGEDMO N#CC1(NC(=O)C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CCC1 ZINC000527135782 503693941 /nfs/dbraw/zinc/69/39/41/503693941.db2.gz AIKBJKXDYIUTMR-UHFFFAOYSA-N 1 1 360.461 3.275 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CCC1 ZINC000527135782 503693947 /nfs/dbraw/zinc/69/39/47/503693947.db2.gz AIKBJKXDYIUTMR-UHFFFAOYSA-N 1 1 360.461 3.275 20 30 FGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000536742368 503707081 /nfs/dbraw/zinc/70/70/81/503707081.db2.gz HGXBHSZAWGZMOB-PBHICJAKSA-N 1 1 360.502 3.215 20 30 FGEDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000533079767 503724231 /nfs/dbraw/zinc/72/42/31/503724231.db2.gz BLYXYMADLDYOGV-INIZCTEOSA-N 1 1 352.434 3.378 20 30 FGEDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccccc1C#N)CC2 ZINC000533199793 503758183 /nfs/dbraw/zinc/75/81/83/503758183.db2.gz RISLKSXWNRFKAG-UHFFFAOYSA-N 1 1 352.434 3.185 20 30 FGEDMO Cc1ccccc1OCCC[N@H+](C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000533246476 503774020 /nfs/dbraw/zinc/77/40/20/503774020.db2.gz WDDLCSACTINAMI-FQEVSTJZSA-N 1 1 363.461 3.373 20 30 FGEDMO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000517620218 503787040 /nfs/dbraw/zinc/78/70/40/503787040.db2.gz UIBHAWRJFJHJIK-OKZBNKHCSA-N 1 1 357.498 3.185 20 30 FGEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000537132470 503812795 /nfs/dbraw/zinc/81/27/95/503812795.db2.gz FQEJEAONHUOZRB-YCRPNKLZSA-N 1 1 356.429 3.497 20 30 FGEDMO C[N@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC12CCCCC2 ZINC000517754922 503828441 /nfs/dbraw/zinc/82/84/41/503828441.db2.gz IIKDKYIOUQCYHC-UHFFFAOYSA-N 1 1 360.889 3.100 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)o1 ZINC000540614116 503834721 /nfs/dbraw/zinc/83/47/21/503834721.db2.gz DUMLHDXUDVREGD-NRFANRHFSA-N 1 1 359.429 3.169 20 30 FGEDMO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000543843553 503911396 /nfs/dbraw/zinc/91/13/96/503911396.db2.gz SEUHRJCMAXBKQN-KRWDZBQOSA-N 1 1 357.479 3.061 20 30 FGEDMO FC(F)(F)CO[C@@H]1CCC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000530334558 503928572 /nfs/dbraw/zinc/92/85/72/503928572.db2.gz AEGDJKXMUQOQNI-SECBINFHSA-N 1 1 359.257 3.244 20 30 FGEDMO FC(F)(F)CO[C@@H]1CCC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000530334558 503928578 /nfs/dbraw/zinc/92/85/78/503928578.db2.gz AEGDJKXMUQOQNI-SECBINFHSA-N 1 1 359.257 3.244 20 30 FGEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc(Br)c(C#N)cc2F)C1 ZINC000518254509 503937050 /nfs/dbraw/zinc/93/70/50/503937050.db2.gz WSTDDIOOOLBJQV-ABAIWWIYSA-N 1 1 352.251 3.380 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000544102689 504008045 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TXSSRAFLWOUSSX-HXUWFJFHSA-N 1 1 360.461 3.248 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c(C(F)(F)F)c1 ZINC000589518018 506575916 /nfs/dbraw/zinc/57/59/16/506575916.db2.gz OVWKGSXGKBBQGN-CQSZACIVSA-N 1 1 361.371 3.159 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)C[N@H+]1Cc1ccccc1 ZINC000593374841 506583664 /nfs/dbraw/zinc/58/36/64/506583664.db2.gz LTPJFBUNKAEYSK-OXJNMPFZSA-N 1 1 360.461 3.246 20 30 FGEDMO C[C@H](NC(=O)N1Cc2cccc(C#N)c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593385782 506591639 /nfs/dbraw/zinc/59/16/39/506591639.db2.gz CWKSKIYUCXGWGJ-PXNSSMCTSA-N 1 1 374.488 3.494 20 30 FGEDMO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000589637748 506614884 /nfs/dbraw/zinc/61/48/84/506614884.db2.gz UYYCMPLQGLAOMV-CRAIPNDOSA-N 1 1 352.486 3.003 20 30 FGEDMO N#Cc1cccc(OCC[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1 ZINC000603847898 506634297 /nfs/dbraw/zinc/63/42/97/506634297.db2.gz BHMPUFCCFCJWRP-UHFFFAOYSA-N 1 1 355.482 3.052 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000589740938 506640652 /nfs/dbraw/zinc/64/06/52/506640652.db2.gz LNEAGJLNJFDMPZ-HXUWFJFHSA-N 1 1 374.529 3.035 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(OC)c(C#N)cc2F)c1 ZINC000599816461 506653954 /nfs/dbraw/zinc/65/39/54/506653954.db2.gz CWHVWHBIZIURCS-UHFFFAOYSA-N 1 1 370.428 3.479 20 30 FGEDMO COc1cc(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c(F)cc1C#N ZINC000599819713 506656348 /nfs/dbraw/zinc/65/63/48/506656348.db2.gz OODOLTZDKHINEW-UHFFFAOYSA-N 1 1 374.391 3.099 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000596909845 506671921 /nfs/dbraw/zinc/67/19/21/506671921.db2.gz AMRPQHUZVTWSAF-LJQANCHMSA-N 1 1 366.440 3.478 20 30 FGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccsc1C#N)c1ccsc1 ZINC000593529127 506672447 /nfs/dbraw/zinc/67/24/47/506672447.db2.gz WIZJZQUHHFTMLP-CYBMUJFWSA-N 1 1 369.537 3.043 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CC3(C#N)CCCCC3)c2)CCO1 ZINC000596922489 506679469 /nfs/dbraw/zinc/67/94/69/506679469.db2.gz ARHRLGMCJNJBNP-GOSISDBHSA-N 1 1 369.509 3.388 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CC3(C#N)CCCCC3)c2)CCO1 ZINC000596922489 506679473 /nfs/dbraw/zinc/67/94/73/506679473.db2.gz ARHRLGMCJNJBNP-GOSISDBHSA-N 1 1 369.509 3.388 20 30 FGEDMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000608784390 506710058 /nfs/dbraw/zinc/71/00/58/506710058.db2.gz LEXMSTDOCKUOOE-VQTJNVASSA-N 1 1 350.462 3.290 20 30 FGEDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980589 506710492 /nfs/dbraw/zinc/71/04/92/506710492.db2.gz QZFJXPYPIBTASR-OAHLLOKOSA-N 1 1 369.490 3.082 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000608811784 506717469 /nfs/dbraw/zinc/71/74/69/506717469.db2.gz RDQJNTDGXFWBOF-INIZCTEOSA-N 1 1 367.449 3.192 20 30 FGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000593661838 506719091 /nfs/dbraw/zinc/71/90/91/506719091.db2.gz YUHZYCXAHVISRC-LJQANCHMSA-N 1 1 353.470 3.248 20 30 FGEDMO Cc1nc(CN2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)oc1C ZINC000596995824 506722366 /nfs/dbraw/zinc/72/23/66/506722366.db2.gz LRBPMSAXBMPUSM-UHFFFAOYSA-N 1 1 350.466 3.164 20 30 FGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H](O)COCc1ccccc1 ZINC000596999244 506723874 /nfs/dbraw/zinc/72/38/74/506723874.db2.gz BZNDLHIKKXLJNK-OAQYLSRUSA-N 1 1 350.462 3.251 20 30 FGEDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000597001072 506725114 /nfs/dbraw/zinc/72/51/14/506725114.db2.gz PPNFYGKUDDDVJS-OPYAIIAOSA-N 1 1 353.510 3.315 20 30 FGEDMO C=CCN(CCC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000599961967 506727829 /nfs/dbraw/zinc/72/78/29/506727829.db2.gz KGTUDSADMUETTG-FCHUYYIVSA-N 1 1 374.488 3.225 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1C#N ZINC000590203754 506762935 /nfs/dbraw/zinc/76/29/35/506762935.db2.gz XXLDMSXYLFERPM-NRFANRHFSA-N 1 1 352.482 3.283 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c1C#N ZINC000590203754 506762938 /nfs/dbraw/zinc/76/29/38/506762938.db2.gz XXLDMSXYLFERPM-NRFANRHFSA-N 1 1 352.482 3.283 20 30 FGEDMO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000597087555 506766893 /nfs/dbraw/zinc/76/68/93/506766893.db2.gz SYNWJGXBNGDUQJ-LJQANCHMSA-N 1 1 354.475 3.117 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC3(C#N)CCCC3)cc2)C[C@H](C)O1 ZINC000593779342 506771223 /nfs/dbraw/zinc/77/12/23/506771223.db2.gz HIDZQCPZGBGHDB-CALCHBBNSA-N 1 1 355.482 3.110 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC3(C#N)CCCC3)cc2)C[C@H](C)O1 ZINC000593779342 506771232 /nfs/dbraw/zinc/77/12/32/506771232.db2.gz HIDZQCPZGBGHDB-CALCHBBNSA-N 1 1 355.482 3.110 20 30 FGEDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597127412 506790932 /nfs/dbraw/zinc/79/09/32/506790932.db2.gz SXKLSVUMFQAZNX-OAQYLSRUSA-N 1 1 356.466 3.033 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3ccc(O)cc3CC2)cc1Cl ZINC000609146026 506793480 /nfs/dbraw/zinc/79/34/80/506793480.db2.gz VYYRHSKNHJOEMX-UHFFFAOYSA-N 1 1 369.852 3.347 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609157726 506797974 /nfs/dbraw/zinc/79/79/74/506797974.db2.gz SAQWJVHLUJCVAY-XJKSGUPXSA-N 1 1 357.845 3.072 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609157726 506797978 /nfs/dbraw/zinc/79/79/78/506797978.db2.gz SAQWJVHLUJCVAY-XJKSGUPXSA-N 1 1 357.845 3.072 20 30 FGEDMO Cn1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000597172822 506813093 /nfs/dbraw/zinc/81/30/93/506813093.db2.gz FTGGUEBUUTUNEL-MRXNPFEDSA-N 1 1 366.465 3.374 20 30 FGEDMO CCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000597175454 506814360 /nfs/dbraw/zinc/81/43/60/506814360.db2.gz ZHNQSVWOWXSKEM-IAGOWNOFSA-N 1 1 373.497 3.066 20 30 FGEDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000590447058 506826124 /nfs/dbraw/zinc/82/61/24/506826124.db2.gz YANFYQWKSSAUTO-HKUYNNGSSA-N 1 1 363.486 3.486 20 30 FGEDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)C1 ZINC000609269496 506829837 /nfs/dbraw/zinc/82/98/37/506829837.db2.gz RRBFXGGLBIDGDA-SFHVURJKSA-N 1 1 363.461 3.066 20 30 FGEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000609444534 506882826 /nfs/dbraw/zinc/88/28/26/506882826.db2.gz PJBXGEALIAUTNX-XLIONFOSSA-N 1 1 369.509 3.486 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)nc1 ZINC000594016478 506884728 /nfs/dbraw/zinc/88/47/28/506884728.db2.gz YEMUGKDFMYQHKE-MRXNPFEDSA-N 1 1 351.328 3.065 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000597308647 506889511 /nfs/dbraw/zinc/88/95/11/506889511.db2.gz CHWLXNGLHVLDPT-INIZCTEOSA-N 1 1 355.388 3.183 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1C#N ZINC000600310963 506898695 /nfs/dbraw/zinc/89/86/95/506898695.db2.gz MEDGFELPIYDQGM-ZDUSSCGKSA-N 1 1 358.511 3.014 20 30 FGEDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000600316228 506900420 /nfs/dbraw/zinc/90/04/20/506900420.db2.gz XTWYCOAGJBUYGY-KRWDZBQOSA-N 1 1 367.449 3.192 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597355172 506909993 /nfs/dbraw/zinc/90/99/93/506909993.db2.gz JJTIIAUMONIVLZ-XOBRGWDASA-N 1 1 369.415 3.477 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000590704315 506918060 /nfs/dbraw/zinc/91/80/60/506918060.db2.gz QUSBVHXHPYSTPZ-IOMROCGXSA-N 1 1 362.477 3.225 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C[C@@H]1CCOC1 ZINC000609631710 506954373 /nfs/dbraw/zinc/95/43/73/506954373.db2.gz PLXSAMRAIHVLGX-HOTGVXAUSA-N 1 1 361.511 3.378 20 30 FGEDMO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000609671914 506970021 /nfs/dbraw/zinc/97/00/21/506970021.db2.gz GSHQPEOJHDPPFX-LJQANCHMSA-N 1 1 355.388 3.242 20 30 FGEDMO C[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)[N@H+]1CCc2ccccc2C1 ZINC000594212211 507013019 /nfs/dbraw/zinc/01/30/19/507013019.db2.gz LEICSXVBMBLNIC-INIZCTEOSA-N 1 1 360.461 3.030 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)c1C ZINC000590927117 507031038 /nfs/dbraw/zinc/03/10/38/507031038.db2.gz YVVWAJGWBANPAQ-SFHVURJKSA-N 1 1 352.482 3.452 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)c1C ZINC000590927117 507031046 /nfs/dbraw/zinc/03/10/46/507031046.db2.gz YVVWAJGWBANPAQ-SFHVURJKSA-N 1 1 352.482 3.452 20 30 FGEDMO C[C@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000583899463 507038383 /nfs/dbraw/zinc/03/83/83/507038383.db2.gz QHCSZYYGRHLQBG-IIBYNOLFSA-N 1 1 354.425 3.239 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(c3cnc4cc(F)c(F)cc4n3)CC2)cc1 ZINC000609893577 507041014 /nfs/dbraw/zinc/04/10/14/507041014.db2.gz WGKCISCBFWKLQD-UHFFFAOYSA-N 1 1 365.387 3.102 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594248064 507041493 /nfs/dbraw/zinc/04/14/93/507041493.db2.gz JKSAGBGBKXVZEW-XUVXKRRUSA-N 1 1 352.482 3.252 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCC(=O)Nc1sccc1C#N ZINC000609916160 507048281 /nfs/dbraw/zinc/04/82/81/507048281.db2.gz DRUADOMJTCQKAX-INIZCTEOSA-N 1 1 368.506 3.155 20 30 FGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000609916212 507048885 /nfs/dbraw/zinc/04/88/85/507048885.db2.gz FITDWNICDLNLKJ-DNVCBOLYSA-N 1 1 351.425 3.192 20 30 FGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594281008 507060207 /nfs/dbraw/zinc/06/02/07/507060207.db2.gz AIKQVVXDMPBNLQ-WOJBJXKFSA-N 1 1 352.482 3.273 20 30 FGEDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@@H](O)COc1ccccc1C#N ZINC000600739925 507093900 /nfs/dbraw/zinc/09/39/00/507093900.db2.gz UJTOWRGMDRLXBD-LJQANCHMSA-N 1 1 351.450 3.319 20 30 FGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000613497412 507118951 /nfs/dbraw/zinc/11/89/51/507118951.db2.gz IQFWNCPTTHRTEB-LEWJYISDSA-N 1 1 350.462 3.329 20 30 FGEDMO C[C@H](Nc1cc(C#N)c2ccccc2n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160211 507119581 /nfs/dbraw/zinc/11/95/81/507119581.db2.gz ADVXEORLQIWYCZ-HTAPYJJXSA-N 1 1 372.472 3.230 20 30 FGEDMO C[C@H](Nc1cc(C#N)c2ccccc2n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160211 507119587 /nfs/dbraw/zinc/11/95/87/507119587.db2.gz ADVXEORLQIWYCZ-HTAPYJJXSA-N 1 1 372.472 3.230 20 30 FGEDMO C[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000610162719 507121448 /nfs/dbraw/zinc/12/14/48/507121448.db2.gz VBMMKCSKGGXHFG-JXFKEZNVSA-N 1 1 359.433 3.113 20 30 FGEDMO CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000594440447 507133743 /nfs/dbraw/zinc/13/37/43/507133743.db2.gz CKFDBQXIBXNWHT-SFTDATJTSA-N 1 1 370.541 3.301 20 30 FGEDMO Cc1nc(SCC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c(C#N)c(C)c1C ZINC000597854464 507135934 /nfs/dbraw/zinc/13/59/34/507135934.db2.gz IDGRVTSVPGGVOO-INIZCTEOSA-N 1 1 374.554 3.207 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[N@H+]1C ZINC000610321431 507193961 /nfs/dbraw/zinc/19/39/61/507193961.db2.gz UJSNHQRSGCZBSG-GDBMZVCRSA-N 1 1 365.437 3.350 20 30 FGEDMO Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2ccnn2C)c1 ZINC000584176625 507196116 /nfs/dbraw/zinc/19/61/16/507196116.db2.gz PEBMCTXHFQPLEU-IBGZPJMESA-N 1 1 373.460 3.316 20 30 FGEDMO C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@H+](C2CC2)C1 ZINC000591406498 507237877 /nfs/dbraw/zinc/23/78/77/507237877.db2.gz KLAFRKYYVCSJKT-MGPUTAFESA-N 1 1 352.482 3.061 20 30 FGEDMO C=CCNC(=O)C[NH2+][C@H](c1ccc(OC)cc1Br)C(C)C ZINC000584261458 507241722 /nfs/dbraw/zinc/24/17/22/507241722.db2.gz FAJCTSQZMVRHBT-INIZCTEOSA-N 1 1 355.276 3.047 20 30 FGEDMO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614108216 507371056 /nfs/dbraw/zinc/37/10/56/507371056.db2.gz VHUAIGOLBUYNAL-YADHBBJMSA-N 1 1 362.448 3.345 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(c3ccc(OC(F)(F)F)cn3)CC2)cc1 ZINC000614116457 507374559 /nfs/dbraw/zinc/37/45/59/507374559.db2.gz VKKCANAESCCGIQ-UHFFFAOYSA-N 1 1 362.355 3.174 20 30 FGEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000610822000 507403323 /nfs/dbraw/zinc/40/33/23/507403323.db2.gz VOTNYPCJGUEPEE-NQIIRXRSSA-N 1 1 351.450 3.033 20 30 FGEDMO COc1ccc2ncc(C#N)c(N3CC[NH+]([C@@H](C)c4cccnc4)CC3)c2c1 ZINC000591913438 507407654 /nfs/dbraw/zinc/40/76/54/507407654.db2.gz MWLVUWSMDQUQJP-INIZCTEOSA-N 1 1 373.460 3.393 20 30 FGEDMO C=CCCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000584729503 507474019 /nfs/dbraw/zinc/47/40/19/507474019.db2.gz AWEZGHIBTZLXSJ-UYAOXDASSA-N 1 1 371.525 3.018 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1ccnc(C#N)c1 ZINC000610997853 507476288 /nfs/dbraw/zinc/47/62/88/507476288.db2.gz KGYIUIWRHMZUTC-VGSWGCGISA-N 1 1 363.509 3.389 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1ccnc(C#N)c1 ZINC000610997853 507476293 /nfs/dbraw/zinc/47/62/93/507476293.db2.gz KGYIUIWRHMZUTC-VGSWGCGISA-N 1 1 363.509 3.389 20 30 FGEDMO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610997853 507476302 /nfs/dbraw/zinc/47/63/02/507476302.db2.gz KGYIUIWRHMZUTC-VGSWGCGISA-N 1 1 363.509 3.389 20 30 FGEDMO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610997853 507476307 /nfs/dbraw/zinc/47/63/07/507476307.db2.gz KGYIUIWRHMZUTC-VGSWGCGISA-N 1 1 363.509 3.389 20 30 FGEDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3c(F)cc(C#N)cc3F)C2)cc1 ZINC000601879432 507498915 /nfs/dbraw/zinc/49/89/15/507498915.db2.gz HUFDABSYRZBSSK-MRXNPFEDSA-N 1 1 355.388 3.149 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000598594783 507510868 /nfs/dbraw/zinc/51/08/68/507510868.db2.gz JSSFSHBMYHRXTG-RBBKRZOGSA-N 1 1 355.526 3.275 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000598594783 507510875 /nfs/dbraw/zinc/51/08/75/507510875.db2.gz JSSFSHBMYHRXTG-RBBKRZOGSA-N 1 1 355.526 3.275 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592155914 507513112 /nfs/dbraw/zinc/51/31/12/507513112.db2.gz UQPLJNOXUVUEMP-KRWDZBQOSA-N 1 1 353.853 3.350 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592155914 507513114 /nfs/dbraw/zinc/51/31/14/507513114.db2.gz UQPLJNOXUVUEMP-KRWDZBQOSA-N 1 1 353.853 3.350 20 30 FGEDMO CC[N@H+]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@H]1C ZINC000611096908 507517072 /nfs/dbraw/zinc/51/70/72/507517072.db2.gz RPRKBVOSCIQRJX-OAHLLOKOSA-N 1 1 365.437 3.303 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000598609635 507518034 /nfs/dbraw/zinc/51/80/34/507518034.db2.gz BXHSBHFNGODIET-WWGRRREGSA-N 1 1 356.388 3.114 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000598615731 507519630 /nfs/dbraw/zinc/51/96/30/507519630.db2.gz DEELAWSLDJSYHR-NWDGAFQWSA-N 1 1 360.380 3.002 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000598615731 507519634 /nfs/dbraw/zinc/51/96/34/507519634.db2.gz DEELAWSLDJSYHR-NWDGAFQWSA-N 1 1 360.380 3.002 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)Cc2ccccc21 ZINC000598625655 507520665 /nfs/dbraw/zinc/52/06/65/507520665.db2.gz TVKIVWYGUMOJMC-FUHWJXTLSA-N 1 1 358.482 3.228 20 30 FGEDMO C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCCC2)O1 ZINC000592196690 507535020 /nfs/dbraw/zinc/53/50/20/507535020.db2.gz XDCIRFYFMSTUNL-APWZRJJASA-N 1 1 353.466 3.087 20 30 FGEDMO C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCCC2)O1 ZINC000592196690 507535024 /nfs/dbraw/zinc/53/50/24/507535024.db2.gz XDCIRFYFMSTUNL-APWZRJJASA-N 1 1 353.466 3.087 20 30 FGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000595552647 507556787 /nfs/dbraw/zinc/55/67/87/507556787.db2.gz YFDOAXYJTWAXQQ-UHFFFAOYSA-N 1 1 373.460 3.328 20 30 FGEDMO N#Cc1ccc(CCN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000595557400 507559232 /nfs/dbraw/zinc/55/92/32/507559232.db2.gz IEOYNNUCTLSJJL-PKTZIBPZSA-N 1 1 361.489 3.076 20 30 FGEDMO N#CCC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000595565885 507564532 /nfs/dbraw/zinc/56/45/32/507564532.db2.gz FCUNHPKVRSLREV-UYAOXDASSA-N 1 1 354.498 3.453 20 30 FGEDMO CCN1C[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2OC)Oc2ccccc21 ZINC000611235322 507573756 /nfs/dbraw/zinc/57/37/56/507573756.db2.gz RKYIYWSYPJPBDH-GOSISDBHSA-N 1 1 351.450 3.286 20 30 FGEDMO CCN1C[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2OC)Oc2ccccc21 ZINC000611235322 507573762 /nfs/dbraw/zinc/57/37/62/507573762.db2.gz RKYIYWSYPJPBDH-GOSISDBHSA-N 1 1 351.450 3.286 20 30 FGEDMO COc1c(C)cc(C[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1C ZINC000611260490 507587612 /nfs/dbraw/zinc/58/76/12/507587612.db2.gz ZJKVIVOYASQVIQ-UHFFFAOYSA-N 1 1 366.465 3.371 20 30 FGEDMO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000595615682 507593695 /nfs/dbraw/zinc/59/36/95/507593695.db2.gz RNENALSEOYCOLQ-XJKSGUPXSA-N 1 1 367.371 3.316 20 30 FGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1 ZINC000595615682 507593700 /nfs/dbraw/zinc/59/37/00/507593700.db2.gz RNENALSEOYCOLQ-XJKSGUPXSA-N 1 1 367.371 3.316 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)NCCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000595636764 507606892 /nfs/dbraw/zinc/60/68/92/507606892.db2.gz ISZFUBHDTNOTPF-UWJYYQICSA-N 1 1 362.477 3.063 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)c1 ZINC000595671341 507621022 /nfs/dbraw/zinc/62/10/22/507621022.db2.gz QPQBOLMYFSECIG-UYAOXDASSA-N 1 1 357.498 3.033 20 30 FGEDMO COC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1cccc(OC)c1 ZINC000595683342 507625627 /nfs/dbraw/zinc/62/56/27/507625627.db2.gz HEOLSUIYLKUZJC-QGZVFWFLSA-N 1 1 373.478 3.161 20 30 FGEDMO Cc1nn(-c2ccccc2)c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C#N ZINC000611348520 507633702 /nfs/dbraw/zinc/63/37/02/507633702.db2.gz ZFGFMCFBLGHUFY-IBGZPJMESA-N 1 1 363.509 3.216 20 30 FGEDMO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccc(-n2cncn2)cc1 ZINC000611376873 507647945 /nfs/dbraw/zinc/64/79/45/507647945.db2.gz GNXFSBZUIUGENM-AWEZNQCLSA-N 1 1 371.404 3.040 20 30 FGEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)cnc12 ZINC000592496691 507680286 /nfs/dbraw/zinc/68/02/86/507680286.db2.gz DOKDNVYCPNJDME-OAHLLOKOSA-N 1 1 358.405 3.122 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCC([C@@H]4CCCCO4)CC3)o2)cc1 ZINC000595785415 507683929 /nfs/dbraw/zinc/68/39/29/507683929.db2.gz FINVGDBUYQRDIZ-SFHVURJKSA-N 1 1 352.438 3.389 20 30 FGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000592523524 507692801 /nfs/dbraw/zinc/69/28/01/507692801.db2.gz NVLQIYQIKMXOBY-HSZRJFAPSA-N 1 1 372.472 3.449 20 30 FGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(OCc3ccc(F)cc3F)c2)C1 ZINC000592524431 507695224 /nfs/dbraw/zinc/69/52/24/507695224.db2.gz FJNAZKNUTBIDHF-HXUWFJFHSA-N 1 1 358.388 3.394 20 30 FGEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000595826277 507703775 /nfs/dbraw/zinc/70/37/75/507703775.db2.gz LTIPYKHPOHLDBY-LJQANCHMSA-N 1 1 359.433 3.319 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC3(COC3)C2)c1C#N ZINC000595835239 507707093 /nfs/dbraw/zinc/70/70/93/507707093.db2.gz TZXYVWMBLFFWBD-UHFFFAOYSA-N 1 1 370.497 3.143 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC3(COC3)C2)c1C#N ZINC000595835239 507707096 /nfs/dbraw/zinc/70/70/96/507707096.db2.gz TZXYVWMBLFFWBD-UHFFFAOYSA-N 1 1 370.497 3.143 20 30 FGEDMO CC[C@H](Nc1cc(C#N)cc(C)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000587999638 507730161 /nfs/dbraw/zinc/73/01/61/507730161.db2.gz ADTRAUPBJAXIJP-PMACEKPBSA-N 1 1 350.466 3.353 20 30 FGEDMO CC[C@H](Nc1cc(C#N)cc(C)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000587999638 507730166 /nfs/dbraw/zinc/73/01/66/507730166.db2.gz ADTRAUPBJAXIJP-PMACEKPBSA-N 1 1 350.466 3.353 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1-n1cnnn1 ZINC000330334765 568254576 /nfs/dbraw/zinc/25/45/76/568254576.db2.gz QYUDRWJQEASOAJ-KRWDZBQOSA-N 1 1 354.458 3.356 20 30 FGEDMO C[C@H](CC[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000827412284 601306388 /nfs/dbraw/zinc/30/63/88/601306388.db2.gz GTYDZTCAGLEHEM-OXQOHEQNSA-N 1 1 351.450 3.184 20 30 FGEDMO C[C@H](CC[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000827412284 601306390 /nfs/dbraw/zinc/30/63/90/601306390.db2.gz GTYDZTCAGLEHEM-OXQOHEQNSA-N 1 1 351.450 3.184 20 30 FGEDMO CC[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821222002 606963822 /nfs/dbraw/zinc/96/38/22/606963822.db2.gz NEVQVLNPCMDFNL-ZDUSSCGKSA-N 1 1 350.401 3.461 20 30 FGEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCOc2ccccc21 ZINC000823914435 608632540 /nfs/dbraw/zinc/63/25/40/608632540.db2.gz IPRZDKJXTBOTQQ-SFHVURJKSA-N 1 1 361.449 3.421 20 30 FGEDMO C=C(Br)CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000077553755 700255808 /nfs/dbraw/zinc/25/58/08/700255808.db2.gz SNYLRMOFWLZYJR-OAHLLOKOSA-N 1 1 366.303 3.201 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1cc(F)ccc1Br ZINC000078639359 700283899 /nfs/dbraw/zinc/28/38/99/700283899.db2.gz LUQGBFRJOKOZJH-LLVKDONJSA-N 1 1 358.255 3.251 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H]3CCCC[C@H]31)CCC2 ZINC000103470044 700486246 /nfs/dbraw/zinc/48/62/46/700486246.db2.gz SOFGAYRZKQNDEH-HZPDHXFCSA-N 1 1 359.495 3.080 20 30 FGEDMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)ON=C(N)C[N@H+]1CCCC[C@@H]1C ZINC000113250201 700569681 /nfs/dbraw/zinc/56/96/81/700569681.db2.gz WYIPAKHWEVUWDU-UONOGXRCSA-N 1 1 366.893 3.139 20 30 FGEDMO NC(=[NH+]OCc1cc(Br)cc2cccnc21)C1CCOCC1 ZINC000124168376 700715998 /nfs/dbraw/zinc/71/59/98/700715998.db2.gz VGPPVLLIDCDTNG-UHFFFAOYSA-N 1 1 364.243 3.213 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000131148049 700811033 /nfs/dbraw/zinc/81/10/33/700811033.db2.gz RQTATHMOPXDUIF-DLBZAZTESA-N 1 1 361.536 3.478 20 30 FGEDMO C=C(Br)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175454433 705547848 /nfs/dbraw/zinc/54/78/48/705547848.db2.gz UKYMPINKORSAIS-GDBMZVCRSA-N 1 1 366.303 3.247 20 30 FGEDMO COCCN1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303988910 713791040 /nfs/dbraw/zinc/79/10/40/713791040.db2.gz WYJXEYSWHRKFOI-TZMCWYRMSA-N 1 1 373.328 3.070 20 30 FGEDMO CN(c1ncc(Br)cc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309740175 713796661 /nfs/dbraw/zinc/79/66/61/713796661.db2.gz VORQSWJGMKNGFH-KRWDZBQOSA-N 1 1 371.282 3.426 20 30 FGEDMO N#Cc1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)nc1Cl ZINC000375095346 713967006 /nfs/dbraw/zinc/96/70/06/713967006.db2.gz VKNCYVYSJCGBMY-UHFFFAOYSA-N 1 1 360.889 3.335 20 30 FGEDMO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000522977039 714214911 /nfs/dbraw/zinc/21/49/11/714214911.db2.gz SWZAWIIRHOENKP-IVMMDQJWSA-N 1 1 353.388 3.364 20 30 FGEDMO COC(=O)C(C)(C)CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000525999157 714394892 /nfs/dbraw/zinc/39/48/92/714394892.db2.gz UYMKJVULXGKSEF-KRWDZBQOSA-N 1 1 363.889 3.112 20 30 FGEDMO C=CCOc1c(Cl)cc(CNC2CC[NH+](CCOC)CC2)cc1OC ZINC000623378050 715320904 /nfs/dbraw/zinc/32/09/04/715320904.db2.gz QOMCMBJVGZVYEW-UHFFFAOYSA-N 1 1 368.905 3.114 20 30 FGEDMO CC(=NNC(=S)Nc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779785208 724426849 /nfs/dbraw/zinc/42/68/49/724426849.db2.gz UUWODFMDWGBGBC-QGZVFWFLSA-N 1 1 353.495 3.266 20 30 FGEDMO Fc1ccc(C(F)(F)F)cc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000631210851 716586884 /nfs/dbraw/zinc/58/68/84/716586884.db2.gz LITPECGBGPAWLC-NSHDSACASA-N 1 1 356.245 3.329 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCc1ccc(C#N)cc1OC(F)F ZINC000803855688 724475820 /nfs/dbraw/zinc/47/58/20/724475820.db2.gz JEZFYNIUZZYDQJ-HNNXBMFYSA-N 1 1 352.381 3.467 20 30 FGEDMO N#Cc1ncc(Cl)nc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621136 719065438 /nfs/dbraw/zinc/06/54/38/719065438.db2.gz HJBDFJQDLXFCOJ-WBVHZDCISA-N 1 1 353.857 3.102 20 30 FGEDMO C=CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@H](C)COC ZINC000664209229 720609068 /nfs/dbraw/zinc/60/90/68/720609068.db2.gz CKYIYBOLKZFVER-SOLBZPMBSA-N 1 1 365.543 3.364 20 30 FGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(N2CCOCC2)cc1Cl ZINC000783294395 724745404 /nfs/dbraw/zinc/74/54/04/724745404.db2.gz PQCXNWMJKSPLJM-AWEZNQCLSA-N 1 1 356.857 3.294 20 30 FGEDMO N#Cc1cnc2cnc(Cl)cc2c1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164767055 721281282 /nfs/dbraw/zinc/28/12/82/721281282.db2.gz DZINUYXBYWJKFM-UHFFFAOYSA-N 1 1 353.857 3.077 20 30 FGEDMO C#CC[N@H+](C[C@@H](C)COC)[C@H]1CCOc2ccc(Br)cc21 ZINC000783565979 724765646 /nfs/dbraw/zinc/76/56/46/724765646.db2.gz AANWIVDOFHIBHV-CJNGLKHVSA-N 1 1 352.272 3.490 20 30 FGEDMO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669804372 721488194 /nfs/dbraw/zinc/48/81/94/721488194.db2.gz CPFNEUKQWOKBMR-ZDUSSCGKSA-N 1 1 363.868 3.454 20 30 FGEDMO CCCC(=O)NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000674249105 721684962 /nfs/dbraw/zinc/68/49/62/721684962.db2.gz ITENIWMCULESKS-UHFFFAOYSA-N 1 1 352.400 3.438 20 30 FGEDMO Cc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C#N)n1 ZINC001164994054 722201860 /nfs/dbraw/zinc/20/18/60/722201860.db2.gz DZNKJFWAEJTIHY-HXUWFJFHSA-N 1 1 351.429 3.041 20 30 FGEDMO N#CCCNC(=O)C[N@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000729478873 722459925 /nfs/dbraw/zinc/45/99/25/722459925.db2.gz KPOJZVZIQHJZDE-UHFFFAOYSA-N 1 1 353.388 3.480 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000730544087 722469054 /nfs/dbraw/zinc/46/90/54/722469054.db2.gz PUWCRSRHPUAOPW-AWEZNQCLSA-N 1 1 353.293 3.340 20 30 FGEDMO C=CCN(C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)C(C)C ZINC000731284666 722474406 /nfs/dbraw/zinc/47/44/06/722474406.db2.gz DPWYXYAZIPIFPH-UHFFFAOYSA-N 1 1 351.535 3.406 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1ncnc2sccc21 ZINC000734363759 722506463 /nfs/dbraw/zinc/50/64/63/722506463.db2.gz PADNPWCCPWAJQY-ZDUSSCGKSA-N 1 1 352.467 3.396 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000737828012 722527462 /nfs/dbraw/zinc/52/74/62/722527462.db2.gz YKKKHDNZCHXPCG-OAHLLOKOSA-N 1 1 352.400 3.052 20 30 FGEDMO C=CCn1c(C)nn(C[N@@H+](CCC)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1=S ZINC000740860106 722538433 /nfs/dbraw/zinc/53/84/33/722538433.db2.gz XXIQOFUDTIKBGQ-BZUAXINKSA-N 1 1 350.532 3.392 20 30 FGEDMO C=CCn1c(C)nn(C[N@H+](CCC)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1=S ZINC000740860106 722538434 /nfs/dbraw/zinc/53/84/34/722538434.db2.gz XXIQOFUDTIKBGQ-BZUAXINKSA-N 1 1 350.532 3.392 20 30 FGEDMO Cc1ncc(CO)c(/C=N/C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1O ZINC000741465307 722546188 /nfs/dbraw/zinc/54/61/88/722546188.db2.gz UESPHFFCQFMEEJ-DIFHSRHFSA-N 1 1 359.495 3.151 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CC1 ZINC000744364549 722576219 /nfs/dbraw/zinc/57/62/19/722576219.db2.gz MBGDAKXFDYZKTF-UHFFFAOYSA-N 1 1 350.249 3.256 20 30 FGEDMO COc1ccc([C@H]2[C@H](COC(=O)c3ccc(C#N)s3)CC[N@H+]2C)cc1 ZINC000750712173 722778414 /nfs/dbraw/zinc/77/84/14/722778414.db2.gz FRNKUGVVKDFULU-KSSFIOAISA-N 1 1 356.447 3.478 20 30 FGEDMO CC(=NNC(=S)Nc1cccnc1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751516127 722811390 /nfs/dbraw/zinc/81/13/90/722811390.db2.gz KEMWBIWCULFXHC-UHFFFAOYSA-N 1 1 350.451 3.286 20 30 FGEDMO Clc1ccc(Br)c(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1 ZINC000753933261 722918909 /nfs/dbraw/zinc/91/89/09/722918909.db2.gz DOUAPYNSBRLGQC-STQMWFEESA-N 1 1 355.667 3.296 20 30 FGEDMO Clc1ccc(Cl)c2c1OCCC2=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753936636 722919162 /nfs/dbraw/zinc/91/91/62/722919162.db2.gz AEHZCFOPYPEHFC-RYUDHWBXSA-N 1 1 353.253 3.340 20 30 FGEDMO Brc1cccc2[nH]cc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)c21 ZINC000754711860 722944816 /nfs/dbraw/zinc/94/48/16/722944816.db2.gz YYZQWINMVJXORY-BETUJISGSA-N 1 1 360.259 3.124 20 30 FGEDMO C#CC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C1CCCC1 ZINC000756910778 722971737 /nfs/dbraw/zinc/97/17/37/722971737.db2.gz AENQEFHSBXWKDY-INIZCTEOSA-N 1 1 352.272 3.067 20 30 FGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Br)cc(C)c2O)n1 ZINC000789759423 723071283 /nfs/dbraw/zinc/07/12/83/723071283.db2.gz ROBCGPQFLWKCAX-UHFFFAOYSA-N 1 1 362.271 3.315 20 30 FGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cc(Br)cc(C)c2O)n1 ZINC000789759423 723071284 /nfs/dbraw/zinc/07/12/84/723071284.db2.gz ROBCGPQFLWKCAX-UHFFFAOYSA-N 1 1 362.271 3.315 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760830919 723096578 /nfs/dbraw/zinc/09/65/78/723096578.db2.gz QBUYDLHJWNJIQG-OKZBNKHCSA-N 1 1 352.519 3.425 20 30 FGEDMO COCCN(C)c1ccc(C=[NH+]Nc2ccc(OC(F)F)cc2)cn1 ZINC000790164874 723111223 /nfs/dbraw/zinc/11/12/23/723111223.db2.gz DXULAUZRRASUGF-UHFFFAOYSA-N 1 1 350.369 3.212 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C2)c(OC)c1 ZINC000761046842 723116319 /nfs/dbraw/zinc/11/63/19/723116319.db2.gz UJQBMIKKLBPQLS-LSDHHAIUSA-N 1 1 359.388 3.048 20 30 FGEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000791622592 723265604 /nfs/dbraw/zinc/26/56/04/723265604.db2.gz DCKRUQITAPDQIS-UXHICEINSA-N 1 1 355.869 3.256 20 30 FGEDMO Oc1ccc(Br)cc1/C=N/[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000763098447 723312154 /nfs/dbraw/zinc/31/21/54/723312154.db2.gz WZOMLJGGJHOKPP-KHIIKVJLSA-N 1 1 367.287 3.217 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000794708127 723542304 /nfs/dbraw/zinc/54/23/04/723542304.db2.gz XSTFOJIPFUYTQA-DNVCBOLYSA-N 1 1 359.495 3.152 20 30 FGEDMO CCC[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)CC[N@H+]1CCOC ZINC000766971832 723601986 /nfs/dbraw/zinc/60/19/86/723601986.db2.gz DYXODLHPXWZKBO-GOSISDBHSA-N 1 1 365.905 3.175 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767886488 723638124 /nfs/dbraw/zinc/63/81/24/723638124.db2.gz YFFNOZAMBGDHHJ-HNNXBMFYSA-N 1 1 353.388 3.257 20 30 FGEDMO CC1CC(C#N)(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771057815 723726975 /nfs/dbraw/zinc/72/69/75/723726975.db2.gz KWKNPSJVIUXHFU-LWGFOQHQSA-N 1 1 361.873 3.066 20 30 FGEDMO C#C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCO1 ZINC000775796116 724062171 /nfs/dbraw/zinc/06/21/71/724062171.db2.gz STTDTOHBUICNEW-TZMCWYRMSA-N 1 1 361.656 3.356 20 30 FGEDMO C#C[C@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000775799983 724063669 /nfs/dbraw/zinc/06/36/69/724063669.db2.gz PWPPLBHXQYSGEI-QWHCGFSZSA-N 1 1 361.656 3.356 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000778165913 724305596 /nfs/dbraw/zinc/30/55/96/724305596.db2.gz UJTBPYYYNBKYRN-UHFFFAOYSA-N 1 1 360.816 3.011 20 30 FGEDMO C#CCCNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000784426631 724852346 /nfs/dbraw/zinc/85/23/46/724852346.db2.gz SRPYOTDMBFZYNN-UHFFFAOYSA-N 1 1 354.281 3.280 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(Cl)cc1F ZINC000805364474 725067001 /nfs/dbraw/zinc/06/70/01/725067001.db2.gz MIAZDOJYLDRZPB-QAPCUYQASA-N 1 1 363.864 3.470 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(Cl)cc1F ZINC000805364467 725067024 /nfs/dbraw/zinc/06/70/24/725067024.db2.gz MIAZDOJYLDRZPB-CRAIPNDOSA-N 1 1 363.864 3.470 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000805752215 725091455 /nfs/dbraw/zinc/09/14/55/725091455.db2.gz ASYFVTGPWDWHCL-GOSISDBHSA-N 1 1 357.841 3.428 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000805752215 725091459 /nfs/dbraw/zinc/09/14/59/725091459.db2.gz ASYFVTGPWDWHCL-GOSISDBHSA-N 1 1 357.841 3.428 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3nc(C#N)cs3)C[C@H]21 ZINC000811490564 725369162 /nfs/dbraw/zinc/36/91/62/725369162.db2.gz UTACSCCJJLTOKO-NWANDNLSSA-N 1 1 362.499 3.140 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(C#N)cs3)C[C@H]21 ZINC000811490564 725369164 /nfs/dbraw/zinc/36/91/64/725369164.db2.gz UTACSCCJJLTOKO-NWANDNLSSA-N 1 1 362.499 3.140 20 30 FGEDMO C#CCNC(=O)CC[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000815045927 727025484 /nfs/dbraw/zinc/02/54/84/727025484.db2.gz ZWRSJWSTEIBHFG-AWEZNQCLSA-N 1 1 367.312 3.057 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000818593351 727315785 /nfs/dbraw/zinc/31/57/85/727315785.db2.gz VJNRYKAGXVEDIG-UHFFFAOYSA-N 1 1 359.322 3.298 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)c1c(CC)onc1-c1ccccc1Cl ZINC000818609408 727316732 /nfs/dbraw/zinc/31/67/32/727316732.db2.gz UAUYIIWPEWKRBU-UHFFFAOYSA-N 1 1 359.857 3.242 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H]2CCC[N@H+](C)C2)s1 ZINC000819256618 727362033 /nfs/dbraw/zinc/36/20/33/727362033.db2.gz PDWLGILETCIASF-CYBMUJFWSA-N 1 1 373.975 3.297 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NCC[N@H+](C)C(C)C)s1 ZINC000819281817 727364021 /nfs/dbraw/zinc/36/40/21/727364021.db2.gz YVOHULMKESTQJD-UHFFFAOYSA-N 1 1 361.964 3.295 20 30 FGEDMO C=CCC[C@@H](O)C[N@@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642632 729295181 /nfs/dbraw/zinc/29/51/81/729295181.db2.gz HTKGGWSSYRTTOQ-IAGOWNOFSA-N 1 1 352.519 3.425 20 30 FGEDMO C#CCC[N@H+](CCOC)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000827823828 729435576 /nfs/dbraw/zinc/43/55/76/729435576.db2.gz VTJKVUYOLKUSPN-UHFFFAOYSA-N 1 1 351.372 3.363 20 30 FGEDMO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC000829794265 729512515 /nfs/dbraw/zinc/51/25/15/729512515.db2.gz TYQFNMNXFCTSTI-CYBMUJFWSA-N 1 1 350.846 3.031 20 30 FGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)c(OC)cc2OC)C1 ZINC000829794265 729512518 /nfs/dbraw/zinc/51/25/18/729512518.db2.gz TYQFNMNXFCTSTI-CYBMUJFWSA-N 1 1 350.846 3.031 20 30 FGEDMO C#CC1CC[NH+](Cc2nnc(-c3ccc(Br)s3)o2)CC1 ZINC000830302005 729549253 /nfs/dbraw/zinc/54/92/53/729549253.db2.gz 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CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000877508699 736674855 /nfs/dbraw/zinc/67/48/55/736674855.db2.gz CHUROUJHNURARS-GFCCVEGCSA-N 1 1 363.870 3.251 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1C ZINC000879555958 737006058 /nfs/dbraw/zinc/00/60/58/737006058.db2.gz BUMVQQOBXSDCPV-MSOLQXFVSA-N 1 1 357.523 3.235 20 30 FGEDMO C=C(C)C[C@@H](CO)[NH2+]Cc1ncc(Br)cc1Br ZINC000883400939 737563459 /nfs/dbraw/zinc/56/34/59/737563459.db2.gz YNKUUUAXQABRTN-JTQLQIEISA-N 1 1 364.081 3.023 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccccc1 ZINC000888419009 739520079 /nfs/dbraw/zinc/52/00/79/739520079.db2.gz GJVBHRPDWNGFLE-YPMHNXCESA-N 1 1 361.858 3.235 20 30 FGEDMO CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000891544157 739913550 /nfs/dbraw/zinc/91/35/50/739913550.db2.gz WSQPJALWSAKNOE-KRWDZBQOSA-N 1 1 354.479 3.036 20 30 FGEDMO F[C@@H]1CC2(CC[C@H]1[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)OCCO2 ZINC000892074719 739962593 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362.436 3.137 20 30 FGEDMO C[C@H]([NH2+]Cc1csc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000921649541 758765433 /nfs/dbraw/zinc/76/54/33/758765433.db2.gz UDAHTNNQEBDUMA-AWEZNQCLSA-N 1 1 354.479 3.337 20 30 FGEDMO C[C@@H]([NH2+]Cc1csc(C#N)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000921649542 758765532 /nfs/dbraw/zinc/76/55/32/758765532.db2.gz UDAHTNNQEBDUMA-CQSZACIVSA-N 1 1 354.479 3.337 20 30 FGEDMO N#Cc1sccc1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000921972517 758831637 /nfs/dbraw/zinc/83/16/37/758831637.db2.gz WRPFIHPRNGQPBK-MRXNPFEDSA-N 1 1 352.463 3.156 20 30 FGEDMO N#Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(Cl)c1 ZINC000928102987 760087736 /nfs/dbraw/zinc/08/77/36/760087736.db2.gz KLWHXLCHYPJPPT-UONOGXRCSA-N 1 1 370.305 3.175 20 30 FGEDMO N#Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(Cl)c1 ZINC000928102987 760087747 /nfs/dbraw/zinc/08/77/47/760087747.db2.gz KLWHXLCHYPJPPT-UONOGXRCSA-N 1 1 370.305 3.175 20 30 FGEDMO Cc1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cnc1Br ZINC000930845790 760710858 /nfs/dbraw/zinc/71/08/58/760710858.db2.gz SKMYKRGQKPWUIX-INIZCTEOSA-N 1 1 360.255 3.190 20 30 FGEDMO N#CC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCSCC1 ZINC000930933947 760734705 /nfs/dbraw/zinc/73/47/05/760734705.db2.gz GMEHLCLGWGVUFW-SFHVURJKSA-N 1 1 357.523 3.052 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c1C#N ZINC000932201002 761084591 /nfs/dbraw/zinc/08/45/91/761084591.db2.gz RGXBTWBNSVDPKE-CQSZACIVSA-N 1 1 355.463 3.256 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c1C#N ZINC000932201002 761084602 /nfs/dbraw/zinc/08/46/02/761084602.db2.gz RGXBTWBNSVDPKE-CQSZACIVSA-N 1 1 355.463 3.256 20 30 FGEDMO OC1(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCCC1 ZINC000932943358 761281727 /nfs/dbraw/zinc/28/17/27/761281727.db2.gz KKDSFRQAEOBLRL-DTORHVGOSA-N 1 1 367.280 3.394 20 30 FGEDMO Cc1csc(C[C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000933131724 761326242 /nfs/dbraw/zinc/32/62/42/761326242.db2.gz XSPKKESVWCFNPM-ZFWWWQNUSA-N 1 1 372.519 3.055 20 30 FGEDMO Cc1csc(C[C@@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 ZINC000933131724 761326253 /nfs/dbraw/zinc/32/62/53/761326253.db2.gz XSPKKESVWCFNPM-ZFWWWQNUSA-N 1 1 372.519 3.055 20 30 FGEDMO O=C1C=COC2(CC[NH+](C[C@H](O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000933645380 761445174 /nfs/dbraw/zinc/44/51/74/761445174.db2.gz NKOGDCIZZYXCHU-INIZCTEOSA-N 1 1 356.249 3.365 20 30 FGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000934471716 761634732 /nfs/dbraw/zinc/63/47/32/761634732.db2.gz NFMXRNIMKIDDNH-GFCCVEGCSA-N 1 1 351.353 3.497 20 30 FGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccc(OC(F)F)c(OC)c2)no1 ZINC000934471716 761634739 /nfs/dbraw/zinc/63/47/39/761634739.db2.gz NFMXRNIMKIDDNH-GFCCVEGCSA-N 1 1 351.353 3.497 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(F)(F)F ZINC000968861158 762842911 /nfs/dbraw/zinc/84/29/11/762842911.db2.gz HPITWPLJGXRAET-XHSDSOJGSA-N 1 1 362.436 3.281 20 30 FGEDMO C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)C1C[NH+](CC#Cc2ccc(Cl)cc2)C1 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494070857 /nfs/dbraw/zinc/07/08/57/494070857.db2.gz GKUBQIRLLMSNTG-GOSISDBHSA-N 1 1 363.417 3.453 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1C#N ZINC000063812931 494090351 /nfs/dbraw/zinc/09/03/51/494090351.db2.gz QPZAFOKEAGXNAE-ZDUSSCGKSA-N 1 1 358.511 3.157 20 30 FGEDMO C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000077498789 494097344 /nfs/dbraw/zinc/09/73/44/494097344.db2.gz HHDKWJHKHHALAV-GFCCVEGCSA-N 1 1 358.442 3.327 20 30 FGEDMO C[C@H](CNC(=O)Nc1ccc(F)c(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000077498789 494097349 /nfs/dbraw/zinc/09/73/49/494097349.db2.gz HHDKWJHKHHALAV-GFCCVEGCSA-N 1 1 358.442 3.327 20 30 FGEDMO C=CCOc1ccc(Br)cc1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000571297338 505701712 /nfs/dbraw/zinc/70/17/12/505701712.db2.gz JBKUZSLPZCFVIC-GFCCVEGCSA-N 1 1 353.260 3.294 20 30 FGEDMO C=CCOc1ccc(Br)cc1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000571297338 505701715 /nfs/dbraw/zinc/70/17/15/505701715.db2.gz JBKUZSLPZCFVIC-GFCCVEGCSA-N 1 1 353.260 3.294 20 30 FGEDMO N#Cc1ccc(NCC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1 ZINC000064722984 494144456 /nfs/dbraw/zinc/14/44/56/494144456.db2.gz DKHXNYGTRWJURX-UHFFFAOYSA-N 1 1 369.494 3.441 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(NC(=O)CSCc2ccc(C#N)cc2)cn1 ZINC000053546589 494146154 /nfs/dbraw/zinc/14/61/54/494146154.db2.gz QPIAEFSVGVPBIC-UHFFFAOYSA-N 1 1 363.446 3.319 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000042243407 494211705 /nfs/dbraw/zinc/21/17/05/494211705.db2.gz BKBIRXDLUMKRCH-QGZVFWFLSA-N 1 1 351.450 3.462 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000042243407 494211709 /nfs/dbraw/zinc/21/17/09/494211709.db2.gz BKBIRXDLUMKRCH-QGZVFWFLSA-N 1 1 351.450 3.462 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000054396385 494232280 /nfs/dbraw/zinc/23/22/80/494232280.db2.gz PLLAIWURBUDKHN-GFCCVEGCSA-N 1 1 369.387 3.243 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000054396385 494232281 /nfs/dbraw/zinc/23/22/81/494232281.db2.gz PLLAIWURBUDKHN-GFCCVEGCSA-N 1 1 369.387 3.243 20 30 FGEDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571339650 505709701 /nfs/dbraw/zinc/70/97/01/505709701.db2.gz SNVVZOQRRJJQEG-OAHLLOKOSA-N 1 1 353.388 3.315 20 30 FGEDMO CC1CCC([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000065949663 494261554 /nfs/dbraw/zinc/26/15/54/494261554.db2.gz MZTKGSMCQIVIGX-UHFFFAOYSA-N 1 1 351.454 3.193 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2cccc(OCC#N)c2)C1 ZINC000089827430 494374783 /nfs/dbraw/zinc/37/47/83/494374783.db2.gz GHQHNXMXCWGXQM-QUCCMNQESA-N 1 1 369.509 3.244 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C2CCC(CO)CC2)c1C ZINC000089924116 494403348 /nfs/dbraw/zinc/40/33/48/494403348.db2.gz GOEOQXPLKUTPGH-UHFFFAOYSA-N 1 1 357.498 3.033 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000045432345 494428561 /nfs/dbraw/zinc/42/85/61/494428561.db2.gz VJMHBZHDVGWJMH-OAHLLOKOSA-N 1 1 367.415 3.231 20 30 FGEDMO CCCC[N@H+](C)CC1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000066960821 494446269 /nfs/dbraw/zinc/44/62/69/494446269.db2.gz UFTIOVXOCMPEGC-GOSISDBHSA-N 1 1 362.562 3.161 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000066960821 494446272 /nfs/dbraw/zinc/44/62/72/494446272.db2.gz UFTIOVXOCMPEGC-GOSISDBHSA-N 1 1 362.562 3.161 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 ZINC000045645043 494448502 /nfs/dbraw/zinc/44/85/02/494448502.db2.gz HJFBVZJFNYTZPW-UHFFFAOYSA-N 1 1 366.421 3.187 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)CCCCC1 ZINC000079502372 494467219 /nfs/dbraw/zinc/46/72/19/494467219.db2.gz FCPRFCSTKNQBQK-HXUWFJFHSA-N 1 1 369.509 3.053 20 30 FGEDMO N#CC1(NC(=O)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)CCCCC1 ZINC000079502372 494467220 /nfs/dbraw/zinc/46/72/20/494467220.db2.gz FCPRFCSTKNQBQK-HXUWFJFHSA-N 1 1 369.509 3.053 20 30 FGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000074287688 494510335 /nfs/dbraw/zinc/51/03/35/494510335.db2.gz BBOTWAMXYAAHDN-UXHICEINSA-N 1 1 357.498 3.176 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1Cl ZINC000074311890 494515194 /nfs/dbraw/zinc/51/51/94/494515194.db2.gz SFRDASYXJOVRGO-IBGZPJMESA-N 1 1 369.852 3.132 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1Cl ZINC000074311890 494515199 /nfs/dbraw/zinc/51/51/99/494515199.db2.gz SFRDASYXJOVRGO-IBGZPJMESA-N 1 1 369.852 3.132 20 30 FGEDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)c1 ZINC000067444817 494543334 /nfs/dbraw/zinc/54/33/34/494543334.db2.gz CBLZSEJIZKCORD-HUUCEWRRSA-N 1 1 359.470 3.086 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3cccc(F)c3F)CC2)c1 ZINC000568579601 505727339 /nfs/dbraw/zinc/72/73/39/505727339.db2.gz WCCCDQFWYNJEII-UHFFFAOYSA-N 1 1 369.415 3.332 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000046761137 494563516 /nfs/dbraw/zinc/56/35/16/494563516.db2.gz DUOPJVDJCKWYON-HDICACEKSA-N 1 1 356.514 3.458 20 30 FGEDMO CN(CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000107681856 494582298 /nfs/dbraw/zinc/58/22/98/494582298.db2.gz DSTZWWFYNJQLBJ-UHFFFAOYSA-N 1 1 356.857 3.218 20 30 FGEDMO CN(CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000107681856 494582303 /nfs/dbraw/zinc/58/23/03/494582303.db2.gz DSTZWWFYNJQLBJ-UHFFFAOYSA-N 1 1 356.857 3.218 20 30 FGEDMO N#Cc1ccc(OCC[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000024245168 494615990 /nfs/dbraw/zinc/61/59/90/494615990.db2.gz ZAJJHIORKVXILA-UHFFFAOYSA-N 1 1 353.441 3.284 20 30 FGEDMO N#Cc1ccc(OCCN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000024245168 494615998 /nfs/dbraw/zinc/61/59/98/494615998.db2.gz ZAJJHIORKVXILA-UHFFFAOYSA-N 1 1 353.441 3.284 20 30 FGEDMO N#Cc1ccc(OCCN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000024245168 494616007 /nfs/dbraw/zinc/61/60/07/494616007.db2.gz ZAJJHIORKVXILA-UHFFFAOYSA-N 1 1 353.441 3.284 20 30 FGEDMO C[C@@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000047052614 494628300 /nfs/dbraw/zinc/62/83/00/494628300.db2.gz XJEZLMGIJCFTNC-GOSISDBHSA-N 1 1 362.477 3.189 20 30 FGEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092710246 494723485 /nfs/dbraw/zinc/72/34/85/494723485.db2.gz QFOCKUKOOOJZEX-IBGZPJMESA-N 1 1 357.498 3.497 20 30 FGEDMO CC(C)COc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000091936629 494727463 /nfs/dbraw/zinc/72/74/63/494727463.db2.gz HNRZKPQJHPWMSE-KRWDZBQOSA-N 1 1 365.481 3.094 20 30 FGEDMO CC(C)COc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000091936629 494727467 /nfs/dbraw/zinc/72/74/67/494727467.db2.gz HNRZKPQJHPWMSE-KRWDZBQOSA-N 1 1 365.481 3.094 20 30 FGEDMO C[C@]1(c2ccccc2)C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000121417530 494747602 /nfs/dbraw/zinc/74/76/02/494747602.db2.gz VNHASGBCZMVQPT-LJQANCHMSA-N 1 1 355.463 3.196 20 30 FGEDMO C[C@]1(c2ccccc2)C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000121417530 494747609 /nfs/dbraw/zinc/74/76/09/494747609.db2.gz VNHASGBCZMVQPT-LJQANCHMSA-N 1 1 355.463 3.196 20 30 FGEDMO Cc1ccccc1C[NH+]1CCN(C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000075436928 494762992 /nfs/dbraw/zinc/76/29/92/494762992.db2.gz DPIMPDKOOGAJLQ-UHFFFAOYSA-N 1 1 366.440 3.033 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000068128129 494770379 /nfs/dbraw/zinc/77/03/79/494770379.db2.gz ARYVCZNODAUXKR-UHFFFAOYSA-N 1 1 368.868 3.362 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000577510596 505742092 /nfs/dbraw/zinc/74/20/92/505742092.db2.gz ZWYRTKRXQNLVPE-MRXNPFEDSA-N 1 1 352.463 3.125 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000577510596 505742097 /nfs/dbraw/zinc/74/20/97/505742097.db2.gz ZWYRTKRXQNLVPE-MRXNPFEDSA-N 1 1 352.463 3.125 20 30 FGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000126609981 494802321 /nfs/dbraw/zinc/80/23/21/494802321.db2.gz ZBYLIKNPAHLVKQ-IBGZPJMESA-N 1 1 374.506 3.246 20 30 FGEDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000026225024 494810429 /nfs/dbraw/zinc/81/04/29/494810429.db2.gz ZAXTTZLUEHZXRP-UHFFFAOYSA-N 1 1 353.422 3.036 20 30 FGEDMO CCN1CC[NH+](CCC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000109022591 494822785 /nfs/dbraw/zinc/82/27/85/494822785.db2.gz GNJMSNFKLKDEFL-MRXNPFEDSA-N 1 1 360.527 3.047 20 30 FGEDMO Cc1ccc(OC2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)cc1 ZINC000116882679 494866008 /nfs/dbraw/zinc/86/60/08/494866008.db2.gz GDGGHJKBTBXUFM-UHFFFAOYSA-N 1 1 355.482 3.181 20 30 FGEDMO OCC[N@@H+](CCOCC(F)(F)F)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000093320052 494869323 /nfs/dbraw/zinc/86/93/23/494869323.db2.gz PFMDOURMJHWILZ-UHFFFAOYSA-N 1 1 363.273 3.218 20 30 FGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)c(OC)c1 ZINC000126963799 494869611 /nfs/dbraw/zinc/86/96/11/494869611.db2.gz HBCIEEWOPBDYPA-PMACEKPBSA-N 1 1 352.434 3.446 20 30 FGEDMO CCOc1ccc(CN2CC[NH+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000027568026 494874351 /nfs/dbraw/zinc/87/43/51/494874351.db2.gz APXPJIVPFMPUBF-UHFFFAOYSA-N 1 1 365.477 3.154 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000027568026 494874354 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C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000118398258 494999637 /nfs/dbraw/zinc/99/96/37/494999637.db2.gz GDYFEXDDWQNJFN-OAHLLOKOSA-N 1 1 351.454 3.088 20 30 FGEDMO CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843555 495046802 /nfs/dbraw/zinc/04/68/02/495046802.db2.gz DCCGHCTXJNYJTM-OAHLLOKOSA-N 1 1 374.554 3.101 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC(CC[NH+](C)C)CC1 ZINC000118868547 495050976 /nfs/dbraw/zinc/05/09/76/495050976.db2.gz QJWIJPRYQISXDH-AWEZNQCLSA-N 1 1 362.905 3.202 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CCCCC1 ZINC000111233823 495051754 /nfs/dbraw/zinc/05/17/54/495051754.db2.gz WYZJFLVVJSRUES-UHFFFAOYSA-N 1 1 365.481 3.085 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000128363712 495085982 /nfs/dbraw/zinc/08/59/82/495085982.db2.gz AJLLERHZMRJXSZ-UTKZUKDTSA-N 1 1 362.477 3.220 20 30 FGEDMO CCN1CC[NH+](CCC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000101633807 495087425 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FGEDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000160222730 495912683 /nfs/dbraw/zinc/91/26/83/495912683.db2.gz QCKWVPDWPXTAQY-KRWDZBQOSA-N 1 1 366.465 3.342 20 30 FGEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000160222730 495912689 /nfs/dbraw/zinc/91/26/89/495912689.db2.gz QCKWVPDWPXTAQY-KRWDZBQOSA-N 1 1 366.465 3.342 20 30 FGEDMO C=C[C@H](CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000155390287 495942189 /nfs/dbraw/zinc/94/21/89/495942189.db2.gz LNTCXMCLKUGCRI-OAQYLSRUSA-N 1 1 364.489 3.495 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000177142182 495945251 /nfs/dbraw/zinc/94/52/51/495945251.db2.gz IGSZIRIPFXQBDT-NRFANRHFSA-N 1 1 363.461 3.220 20 30 FGEDMO COCCOCC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000155480989 495969747 /nfs/dbraw/zinc/96/97/47/495969747.db2.gz PITSUEHITHSZIZ-UHFFFAOYSA-N 1 1 363.461 3.476 20 30 FGEDMO COCCOCC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000155480989 495969752 /nfs/dbraw/zinc/96/97/52/495969752.db2.gz PITSUEHITHSZIZ-UHFFFAOYSA-N 1 1 363.461 3.476 20 30 FGEDMO CN(CC(F)(F)F)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180549174 496040230 /nfs/dbraw/zinc/04/02/30/496040230.db2.gz HQHOVGMHOYUIPP-LLVKDONJSA-N 1 1 360.273 3.430 20 30 FGEDMO C[C@]1(CNc2nccc(C#N)c2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000160799974 496044530 /nfs/dbraw/zinc/04/45/30/496044530.db2.gz XHBXHAIBUGNSAR-LJQANCHMSA-N 1 1 351.410 3.328 20 30 FGEDMO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000155733279 496050007 /nfs/dbraw/zinc/05/00/07/496050007.db2.gz WOHCNMFTHONVBW-UHFFFAOYSA-N 1 1 355.482 3.052 20 30 FGEDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(COc3ccccc3C#N)o1)C2 ZINC000174675492 496055969 /nfs/dbraw/zinc/05/59/69/496055969.db2.gz UTLXVVOKXUVUJC-DLBZAZTESA-N 1 1 365.433 3.039 20 30 FGEDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000186754388 496136249 /nfs/dbraw/zinc/13/62/49/496136249.db2.gz LNRYLYKIKAZUSS-UHFFFAOYSA-N 1 1 363.461 3.303 20 30 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C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000156892267 496358275 /nfs/dbraw/zinc/35/82/75/496358275.db2.gz CEKFZWCZZRMZIX-HNNXBMFYSA-N 1 1 374.506 3.497 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000156892267 496358282 /nfs/dbraw/zinc/35/82/82/496358282.db2.gz CEKFZWCZZRMZIX-HNNXBMFYSA-N 1 1 374.506 3.497 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC1(O)CCCCCC1 ZINC000187363201 496411439 /nfs/dbraw/zinc/41/14/39/496411439.db2.gz MLJXHJPGBBPIEO-SFHVURJKSA-N 1 1 357.498 3.339 20 30 FGEDMO C=CC[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000187376893 496417105 /nfs/dbraw/zinc/41/71/05/496417105.db2.gz KAQOLCFRQPZPCW-FKBYEOEOSA-N 1 1 364.489 3.098 20 30 FGEDMO CCc1ccccc1NC(=O)C[N@H+](C)CCOc1ccc(C#N)cc1OC ZINC000157327462 496454769 /nfs/dbraw/zinc/45/47/69/496454769.db2.gz LLIWZKZHOMAMSF-UHFFFAOYSA-N 1 1 367.449 3.079 20 30 FGEDMO CCc1ccccc1NC(=O)C[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000157327462 496454775 /nfs/dbraw/zinc/45/47/75/496454775.db2.gz LLIWZKZHOMAMSF-UHFFFAOYSA-N 1 1 367.449 3.079 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)COc2ccccc2C#N)CC1 ZINC000157554154 496502540 /nfs/dbraw/zinc/50/25/40/496502540.db2.gz IEUFBVUGNZSJTF-SFHVURJKSA-N 1 1 369.509 3.440 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000187766339 496563254 /nfs/dbraw/zinc/56/32/54/496563254.db2.gz XVJFNJOSQFUJMD-GHTZIAJQSA-N 1 1 359.514 3.010 20 30 FGEDMO C=C(C)[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(F)c(F)c1 ZINC000187772041 496565613 /nfs/dbraw/zinc/56/56/13/496565613.db2.gz IYWQZPZCEYISMT-SFHVURJKSA-N 1 1 366.433 3.150 20 30 FGEDMO N#Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000569104505 505854570 /nfs/dbraw/zinc/85/45/70/505854570.db2.gz JYCPHIIWTHBFGJ-SFHVURJKSA-N 1 1 374.366 3.346 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000574824696 505862420 /nfs/dbraw/zinc/86/24/20/505862420.db2.gz ZMWKYSZYPAQUFA-CABCVRRESA-N 1 1 374.916 3.345 20 30 FGEDMO C[N@H+](CCCC#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191351781 496734359 /nfs/dbraw/zinc/73/43/59/496734359.db2.gz PTQBTYYGOZPMEL-UHFFFAOYSA-N 1 1 355.276 3.334 20 30 FGEDMO C[N@@H+](CCCC#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191351781 496734366 /nfs/dbraw/zinc/73/43/66/496734366.db2.gz PTQBTYYGOZPMEL-UHFFFAOYSA-N 1 1 355.276 3.334 20 30 FGEDMO COc1ccc(COC[C@@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194957068 496773876 /nfs/dbraw/zinc/77/38/76/496773876.db2.gz LVOKJCKCPHUXIT-NRFANRHFSA-N 1 1 366.461 3.109 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)COc2ccccc2C#N)[C@H]1c1cccs1 ZINC000247193508 496803552 /nfs/dbraw/zinc/80/35/52/496803552.db2.gz BOHBXEFSSIFLSP-JXFKEZNVSA-N 1 1 369.490 3.198 20 30 FGEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000247201039 496803938 /nfs/dbraw/zinc/80/39/38/496803938.db2.gz BWEPGUFCDNZEPA-CRAIPNDOSA-N 1 1 367.449 3.142 20 30 FGEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273440766 496807352 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497096081 /nfs/dbraw/zinc/09/60/81/497096081.db2.gz IJSZSOYPTORCMI-DOTOQJQBSA-N 1 1 352.438 3.022 20 30 FGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000248752669 497099343 /nfs/dbraw/zinc/09/93/43/497099343.db2.gz HURKGZSUGMAUOH-IRLDBZIGSA-N 1 1 350.462 3.445 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000248785770 497103236 /nfs/dbraw/zinc/10/32/36/497103236.db2.gz XXTOUKSTTYRJTE-IRLDBZIGSA-N 1 1 350.462 3.445 20 30 FGEDMO CC[N@H+]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000265540627 497135680 /nfs/dbraw/zinc/13/56/80/497135680.db2.gz WRGBNFIUPGPFGW-HNNXBMFYSA-N 1 1 374.554 3.101 20 30 FGEDMO CCC(CC)[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)[NH+](C)C ZINC000278587444 497157964 /nfs/dbraw/zinc/15/79/64/497157964.db2.gz GPTSDSBOLORQDB-HXUWFJFHSA-N 1 1 368.529 3.315 20 30 FGEDMO C[C@H](C#N)CN(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270698602 497181742 /nfs/dbraw/zinc/18/17/42/497181742.db2.gz SKAUUMUWQKVGLM-SUYBPPKGSA-N 1 1 366.868 3.273 20 30 FGEDMO CC(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N1CCCC1 ZINC000278668221 497184744 /nfs/dbraw/zinc/18/47/44/497184744.db2.gz NWBCRBLGJXIGHZ-HXUWFJFHSA-N 1 1 366.513 3.069 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCCOC(C)C ZINC000265876242 497198923 /nfs/dbraw/zinc/19/89/23/497198923.db2.gz NMMKBPBCGGFLJS-KRWDZBQOSA-N 1 1 361.486 3.077 20 30 FGEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(Cc3ccc(Br)s3)CC2)C1 ZINC000278739451 497205172 /nfs/dbraw/zinc/20/51/72/497205172.db2.gz WKFLZADCIGRGNW-STQMWFEESA-N 1 1 354.317 3.320 20 30 FGEDMO COc1ccc([C@H]2CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000249906188 497257044 /nfs/dbraw/zinc/25/70/44/497257044.db2.gz UVZFPXLLNRPXQZ-RXVVDRJESA-N 1 1 361.445 3.162 20 30 FGEDMO CC(C)CCOC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000193110763 497305145 /nfs/dbraw/zinc/30/51/45/497305145.db2.gz RDGRSHBCWBQXCG-UHFFFAOYSA-N 1 1 357.498 3.460 20 30 FGEDMO COc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1OCCCC#N ZINC000252802697 497321631 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C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C[C@H](O)C(F)(F)F ZINC000578370016 505924747 /nfs/dbraw/zinc/92/47/47/505924747.db2.gz MIYKZBLXLDDSBG-SFHVURJKSA-N 1 1 364.367 3.492 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)c1cccc(Cl)c1 ZINC000268286075 497719899 /nfs/dbraw/zinc/71/98/99/497719899.db2.gz CGRCJCHFZZDFGJ-HNNXBMFYSA-N 1 1 371.872 3.189 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)c1cccc(Cl)c1 ZINC000268286075 497719903 /nfs/dbraw/zinc/71/99/03/497719903.db2.gz CGRCJCHFZZDFGJ-HNNXBMFYSA-N 1 1 371.872 3.189 20 30 FGEDMO N#CCCN(C(=O)CN1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000268286075 497719908 /nfs/dbraw/zinc/71/99/08/497719908.db2.gz CGRCJCHFZZDFGJ-HNNXBMFYSA-N 1 1 371.872 3.189 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246521391 497762116 /nfs/dbraw/zinc/76/21/16/497762116.db2.gz FTBCDJRLXJTWET-CMKODMSKSA-N 1 1 355.482 3.131 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246521381 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ZINC000292474370 498030008 /nfs/dbraw/zinc/03/00/08/498030008.db2.gz RQMFDYQVADOHLP-KBPBESRZSA-N 1 1 361.511 3.062 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000330148063 498040475 /nfs/dbraw/zinc/04/04/75/498040475.db2.gz MBQVDRKSNPGOMS-WBVHZDCISA-N 1 1 359.518 3.329 20 30 FGEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000301360032 498073099 /nfs/dbraw/zinc/07/30/99/498073099.db2.gz OIUFAHGKNDPWSQ-CYBMUJFWSA-N 1 1 360.408 3.486 20 30 FGEDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330252325 498080339 /nfs/dbraw/zinc/08/03/39/498080339.db2.gz OGVPVWGOJHEOOV-XAJHFOFHSA-N 1 1 359.518 3.238 20 30 FGEDMO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000330252325 498080344 /nfs/dbraw/zinc/08/03/44/498080344.db2.gz OGVPVWGOJHEOOV-XAJHFOFHSA-N 1 1 359.518 3.238 20 30 FGEDMO CC[C@@](C)(C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000285453363 498090775 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CC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000301490826 498133820 /nfs/dbraw/zinc/13/38/20/498133820.db2.gz BCOWHWJBRVWJHD-ZDUSSCGKSA-N 1 1 360.408 3.486 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](O)C23CCCC3)c2ccccc21 ZINC000292752022 498133989 /nfs/dbraw/zinc/13/39/89/498133989.db2.gz NXNNSSJDNYPCIY-HXUWFJFHSA-N 1 1 351.450 3.117 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)c(C(=O)OC)c(F)c2)C[C@@H]1C ZINC000330444403 498134424 /nfs/dbraw/zinc/13/44/24/498134424.db2.gz QPSUGOTWXOQJEQ-WCQYABFASA-N 1 1 369.412 3.102 20 30 FGEDMO CCN1CC[NH+](Cc2ccccc2CNc2ccc(Cl)c(C#N)n2)CC1 ZINC000301499219 498137513 /nfs/dbraw/zinc/13/75/13/498137513.db2.gz CYJGBDNZIATRSJ-UHFFFAOYSA-N 1 1 369.900 3.356 20 30 FGEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000281404575 498138528 /nfs/dbraw/zinc/13/85/28/498138528.db2.gz NTPSLXKFFMBEPB-YLLORCDKSA-N 1 1 356.466 3.034 20 30 FGEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000281404575 498138537 /nfs/dbraw/zinc/13/85/37/498138537.db2.gz NTPSLXKFFMBEPB-YLLORCDKSA-N 1 1 356.466 3.034 20 30 FGEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578632203 505985162 /nfs/dbraw/zinc/98/51/62/505985162.db2.gz OAFPDEAQHZPORD-BBRMVZONSA-N 1 1 359.426 3.409 20 30 FGEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578632203 505985166 /nfs/dbraw/zinc/98/51/66/505985166.db2.gz OAFPDEAQHZPORD-BBRMVZONSA-N 1 1 359.426 3.409 20 30 FGEDMO CC(C)(C)C1=CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000330487568 498140869 /nfs/dbraw/zinc/14/08/69/498140869.db2.gz GTCMGCPHMMQZJI-HNNXBMFYSA-N 1 1 350.507 3.216 20 30 FGEDMO COC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000296673088 498147425 /nfs/dbraw/zinc/14/74/25/498147425.db2.gz KVKYAQZHKOLYLK-GHTZIAJQSA-N 1 1 357.498 3.297 20 30 FGEDMO Cc1oc(C(C)C)nc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000285617349 498148351 /nfs/dbraw/zinc/14/83/51/498148351.db2.gz WUQGCEVFHDNEEG-UHFFFAOYSA-N 1 1 366.465 3.326 20 30 FGEDMO Cc1oc(C(C)C)nc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000285617349 498148357 /nfs/dbraw/zinc/14/83/57/498148357.db2.gz WUQGCEVFHDNEEG-UHFFFAOYSA-N 1 1 366.465 3.326 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccnc2OCC(F)F)C[C@@H]1C ZINC000330548803 498150932 /nfs/dbraw/zinc/15/09/32/498150932.db2.gz DIDSQNKAXUAXLW-STQMWFEESA-N 1 1 356.417 3.076 20 30 FGEDMO COCC[N@H+](Cc1cccnc1)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000289466065 498157961 /nfs/dbraw/zinc/15/79/61/498157961.db2.gz OVVCJJGZIBHPJV-UHFFFAOYSA-N 1 1 369.465 3.421 20 30 FGEDMO COCC[N@@H+](Cc1cccnc1)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000289466065 498157969 /nfs/dbraw/zinc/15/79/69/498157969.db2.gz OVVCJJGZIBHPJV-UHFFFAOYSA-N 1 1 369.465 3.421 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@H](Nc3cccc(F)c3C#N)C2)cc(OC)c1 ZINC000301561127 498163729 /nfs/dbraw/zinc/16/37/29/498163729.db2.gz KMNFUEYBZNLWCX-HNNXBMFYSA-N 1 1 355.413 3.401 20 30 FGEDMO C=CCNC(=O)c1ccc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000301621609 498192410 /nfs/dbraw/zinc/19/24/10/498192410.db2.gz NJZBSKIBISWJDZ-APWZRJJASA-N 1 1 350.466 3.072 20 30 FGEDMO CC1(C#N)CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)CC1 ZINC000285862188 498222913 /nfs/dbraw/zinc/22/29/13/498222913.db2.gz RBHNRKAXMXRTBG-QGZVFWFLSA-N 1 1 361.436 3.296 20 30 FGEDMO Cc1noc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000285882988 498228729 /nfs/dbraw/zinc/22/87/29/498228729.db2.gz ZPLXKQPISRFMBA-HNNXBMFYSA-N 1 1 359.817 3.069 20 30 FGEDMO Cc1noc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000285882988 498228722 /nfs/dbraw/zinc/22/87/22/498228722.db2.gz ZPLXKQPISRFMBA-HNNXBMFYSA-N 1 1 359.817 3.069 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCN2C(C)=O)cc(OC)c1O ZINC000359976786 498232293 /nfs/dbraw/zinc/23/22/93/498232293.db2.gz VIIWUDGVWPWSII-RTBURBONSA-N 1 1 358.482 3.105 20 30 FGEDMO Cc1nn(C(C)C)cc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000281687158 498236427 /nfs/dbraw/zinc/23/64/27/498236427.db2.gz RXGHZCGKLQQHFO-UHFFFAOYSA-N 1 1 351.498 3.352 20 30 FGEDMO Cc1nn(C(C)C)cc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000281687158 498236429 /nfs/dbraw/zinc/23/64/29/498236429.db2.gz RXGHZCGKLQQHFO-UHFFFAOYSA-N 1 1 351.498 3.352 20 30 FGEDMO Cc1nn(C(C)C)cc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000281687158 498236433 /nfs/dbraw/zinc/23/64/33/498236433.db2.gz RXGHZCGKLQQHFO-UHFFFAOYSA-N 1 1 351.498 3.352 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000365021038 498259205 /nfs/dbraw/zinc/25/92/05/498259205.db2.gz TYHAPBWZEIGATN-SJORKVTESA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000365021038 498259213 /nfs/dbraw/zinc/25/92/13/498259213.db2.gz TYHAPBWZEIGATN-SJORKVTESA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000365021036 498260048 /nfs/dbraw/zinc/26/00/48/498260048.db2.gz TYHAPBWZEIGATN-IRXDYDNUSA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000365021036 498260056 /nfs/dbraw/zinc/26/00/56/498260056.db2.gz TYHAPBWZEIGATN-IRXDYDNUSA-N 1 1 360.889 3.420 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(NC(C)=O)c(OC)c2)C[C@@H]1C ZINC000331157357 498265268 /nfs/dbraw/zinc/26/52/68/498265268.db2.gz WBTKRXRAYMJPKH-XJKSGUPXSA-N 1 1 362.474 3.004 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c(C#N)c1C ZINC000360340857 498266957 /nfs/dbraw/zinc/26/69/57/498266957.db2.gz BCIVEHIXWRAUGC-MRXNPFEDSA-N 1 1 354.479 3.135 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@H](Cc3ccncc3)C2)c(C#N)c1C ZINC000360340857 498266959 /nfs/dbraw/zinc/26/69/59/498266959.db2.gz BCIVEHIXWRAUGC-MRXNPFEDSA-N 1 1 354.479 3.135 20 30 FGEDMO CCCOc1ccc(Cl)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000331179796 498269765 /nfs/dbraw/zinc/26/97/65/498269765.db2.gz MGGGJGGZDSWASR-ZIAGYGMSSA-N 1 1 369.893 3.061 20 30 FGEDMO CCCOc1ccc(Cl)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331179795 498269812 /nfs/dbraw/zinc/26/98/12/498269812.db2.gz MGGGJGGZDSWASR-UONOGXRCSA-N 1 1 369.893 3.061 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc(C#N)cc(N(C)C)c2)c1 ZINC000575811194 506010823 /nfs/dbraw/zinc/01/08/23/506010823.db2.gz ROCOYNKWVVOCEN-UHFFFAOYSA-N 1 1 364.493 3.394 20 30 FGEDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000331284797 498293506 /nfs/dbraw/zinc/29/35/06/498293506.db2.gz HNSRLYMTNRTIBP-ZIAGYGMSSA-N 1 1 364.446 3.344 20 30 FGEDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000286297081 498354993 /nfs/dbraw/zinc/35/49/93/498354993.db2.gz DFQRRXZGLAUBCD-OAHLLOKOSA-N 1 1 364.287 3.201 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000293353380 498357559 /nfs/dbraw/zinc/35/75/59/498357559.db2.gz HEFTWOYRIUCCFQ-JKSUJKDBSA-N 1 1 374.366 3.147 20 30 FGEDMO N#Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000282050884 498370351 /nfs/dbraw/zinc/37/03/51/498370351.db2.gz XWWRNRCDEVRKBG-AWEZNQCLSA-N 1 1 351.410 3.383 20 30 FGEDMO COc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(OC)c1OCC(F)F ZINC000289973527 498377285 /nfs/dbraw/zinc/37/72/85/498377285.db2.gz BTOZYNQSQFAIDP-UHFFFAOYSA-N 1 1 354.397 3.473 20 30 FGEDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000361368207 498381290 /nfs/dbraw/zinc/38/12/90/498381290.db2.gz TVIYHNJPQBKKHW-UHFFFAOYSA-N 1 1 366.465 3.338 20 30 FGEDMO CCc1cc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)nc(C)[nH+]1 ZINC000302046942 498383739 /nfs/dbraw/zinc/38/37/39/498383739.db2.gz LIMXTLNBAXUTCS-UHFFFAOYSA-N 1 1 361.453 3.032 20 30 FGEDMO C=CCN(C(=O)c1ccnc(F)c1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365314495 498401794 /nfs/dbraw/zinc/40/17/94/498401794.db2.gz GAXSMPQBCONPSH-MRXNPFEDSA-N 1 1 357.404 3.263 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000361744674 498425293 /nfs/dbraw/zinc/42/52/93/498425293.db2.gz NOAFCAKQOHSWSN-ZDUSSCGKSA-N 1 1 357.845 3.072 20 30 FGEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599395833 506441542 /nfs/dbraw/zinc/44/15/42/506441542.db2.gz LOEVQILRGYDCGU-ROUUACIJSA-N 1 1 366.889 3.031 20 30 FGEDMO C[C@@H]1C[N@H+](CCC2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000302216303 498446965 /nfs/dbraw/zinc/44/69/65/498446965.db2.gz PEQDOMCOAGXLRM-IYBDPMFKSA-N 1 1 372.469 3.182 20 30 FGEDMO C[N@H+]1C[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](c2ccccc2)C1 ZINC000581646981 506035836 /nfs/dbraw/zinc/03/58/36/506035836.db2.gz IREUZZATILUDCE-QUCCMNQESA-N 1 1 372.428 3.041 20 30 FGEDMO CC[N@H+]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)C1 ZINC000286611713 498452630 /nfs/dbraw/zinc/45/26/30/498452630.db2.gz RQKKIPMNBDFZNM-JKSUJKDBSA-N 1 1 360.527 3.045 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCCC[C@@H]2c2ccccc2)nc1 ZINC000575951174 506040656 /nfs/dbraw/zinc/04/06/56/506040656.db2.gz BSUDHTVRBPHSEH-LJQANCHMSA-N 1 1 369.490 3.344 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCCC[C@@H]2c2ccccc2)nc1 ZINC000575951174 506040657 /nfs/dbraw/zinc/04/06/57/506040657.db2.gz BSUDHTVRBPHSEH-LJQANCHMSA-N 1 1 369.490 3.344 20 30 FGEDMO COc1ccc([C@H](C)C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000362235351 498478984 /nfs/dbraw/zinc/47/89/84/498478984.db2.gz AUCAKMBDRCDDRO-ZWWNWMABSA-N 1 1 361.445 3.144 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000365484463 498491889 /nfs/dbraw/zinc/49/18/89/498491889.db2.gz ZKMWFNXJVUXLDO-AEFFLSMTSA-N 1 1 354.479 3.112 20 30 FGEDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000293865135 498516846 /nfs/dbraw/zinc/51/68/46/498516846.db2.gz CHKDBWYQNYLVTP-NRFANRHFSA-N 1 1 367.497 3.089 20 30 FGEDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302664346 498526432 /nfs/dbraw/zinc/52/64/32/498526432.db2.gz MIEDNJLRIUXOPA-CQSZACIVSA-N 1 1 354.420 3.263 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000297716439 498547121 /nfs/dbraw/zinc/54/71/21/498547121.db2.gz BFVAZTYGMNTVLJ-NRFANRHFSA-N 1 1 373.518 3.028 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2)C[C@@H](C)O1 ZINC000332096555 498559319 /nfs/dbraw/zinc/55/93/19/498559319.db2.gz CLOSDSMYQRNZRW-HLIPFELVSA-N 1 1 369.509 3.450 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2)C[C@H](C)O1 ZINC000332096557 498559441 /nfs/dbraw/zinc/55/94/41/498559441.db2.gz CLOSDSMYQRNZRW-QKLQHJQFSA-N 1 1 369.509 3.450 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)cc2)C[C@H](C)O1 ZINC000332096557 498559446 /nfs/dbraw/zinc/55/94/46/498559446.db2.gz CLOSDSMYQRNZRW-QKLQHJQFSA-N 1 1 369.509 3.450 20 30 FGEDMO CCC[N@H+](CCCN(C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000290581929 498607584 /nfs/dbraw/zinc/60/75/84/498607584.db2.gz UPPWTXBAKKEHMY-UHFFFAOYSA-N 1 1 354.502 3.022 20 30 FGEDMO CCC[N@@H+](CCCN(C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000290581929 498607591 /nfs/dbraw/zinc/60/75/91/498607591.db2.gz UPPWTXBAKKEHMY-UHFFFAOYSA-N 1 1 354.502 3.022 20 30 FGEDMO Cc1csc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1C#N ZINC000569985311 506062744 /nfs/dbraw/zinc/06/27/44/506062744.db2.gz JRBSYPFDRHSESX-UHFFFAOYSA-N 1 1 370.478 3.082 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1C ZINC000365731004 498616672 /nfs/dbraw/zinc/61/66/72/498616672.db2.gz JREWZDFMDHOZFI-IOMROCGXSA-N 1 1 369.509 3.295 20 30 FGEDMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(Br)c2)CC[N@H+]1C ZINC000287174541 498659939 /nfs/dbraw/zinc/65/99/39/498659939.db2.gz JTJPTHDWFDJXJX-SMDDNHRTSA-N 1 1 365.275 3.267 20 30 FGEDMO N#Cc1cccc(OCCCCC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000363152146 498675541 /nfs/dbraw/zinc/67/55/41/498675541.db2.gz RHLSTMDWSYFCSF-SESVDKBCSA-N 1 1 367.493 3.050 20 30 FGEDMO C#CCOc1ccc(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000363251742 498728803 /nfs/dbraw/zinc/72/88/03/498728803.db2.gz JJXCZAFTGCTFEW-APWZRJJASA-N 1 1 354.475 3.183 20 30 FGEDMO Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000363282764 498744210 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3.116 20 30 FGEDMO C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294937311 498854193 /nfs/dbraw/zinc/85/41/93/498854193.db2.gz JKBXCCOHXZMOPZ-LQBOVUBWSA-N 1 1 351.494 3.487 20 30 FGEDMO N#C[C@@H](C(=O)C[N@H+]1CCC[C@@H]1C1CCCC1)c1nc2ccccc2c(=O)[nH]1 ZINC000298849137 498895865 /nfs/dbraw/zinc/89/58/65/498895865.db2.gz KZIGSBFVIXJQMA-FUHWJXTLSA-N 1 1 364.449 3.166 20 30 FGEDMO C=C[C@](C)(O)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000579169650 506109137 /nfs/dbraw/zinc/10/91/37/506109137.db2.gz WIEKKSFWPGWKOM-MJGOQNOKSA-N 1 1 350.890 3.138 20 30 FGEDMO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)C1 ZINC000328700920 498907936 /nfs/dbraw/zinc/90/79/36/498907936.db2.gz IWXDSARUOQLEGR-QAPCUYQASA-N 1 1 357.502 3.496 20 30 FGEDMO CC1(C)C[N@H+](C2(CNC(=O)c3cn4c(n3)CCCC4)CCCCC2)CCO1 ZINC000328706139 498909453 /nfs/dbraw/zinc/90/94/53/498909453.db2.gz LKLJTACYXPJIDF-UHFFFAOYSA-N 1 1 374.529 3.338 20 30 FGEDMO 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LGFDUBXIZSPBNK-DJJJIMSYSA-N 1 1 358.486 3.463 20 30 FGEDMO COC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000371785554 499365433 /nfs/dbraw/zinc/36/54/33/499365433.db2.gz ZJVHJDPFTCJTAR-GOSISDBHSA-N 1 1 350.422 3.338 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371835367 499370318 /nfs/dbraw/zinc/37/03/18/499370318.db2.gz SHXUIINUHNZHJP-KGLIPLIRSA-N 1 1 367.478 3.093 20 30 FGEDMO Cn1cc(C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000369161318 499372759 /nfs/dbraw/zinc/37/27/59/499372759.db2.gz DXOZCWNLXGBYSE-FQEVSTJZSA-N 1 1 373.460 3.007 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)nc2)[C@@H]1c1cccc(Cl)c1 ZINC000369358248 499395295 /nfs/dbraw/zinc/39/52/95/499395295.db2.gz KQCMUVXRZFDLTA-KDOFPFPSSA-N 1 1 354.841 3.029 20 30 FGEDMO N#CCOc1cccc(CC(=O)N[C@@H]2CC[N@H+](C3CCCCCC3)C2)c1 ZINC000372262759 499414563 /nfs/dbraw/zinc/41/45/63/499414563.db2.gz VUWXDPJCNNHGGO-GOSISDBHSA-N 1 1 355.482 3.045 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000369564727 499418624 /nfs/dbraw/zinc/41/86/24/499418624.db2.gz NMAQKCNNNKVTAL-URLQWDBASA-N 1 1 369.490 3.196 20 30 FGEDMO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3Cl)C2)n1 ZINC000373033355 499448310 /nfs/dbraw/zinc/44/83/10/499448310.db2.gz CLOWTTOFYXETMM-AWEZNQCLSA-N 1 1 361.852 3.471 20 30 FGEDMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)n1 ZINC000373033355 499448311 /nfs/dbraw/zinc/44/83/11/499448311.db2.gz CLOWTTOFYXETMM-AWEZNQCLSA-N 1 1 361.852 3.471 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 ZINC000373162377 499454551 /nfs/dbraw/zinc/45/45/51/499454551.db2.gz GVGBSOVJCKYITM-MRXNPFEDSA-N 1 1 365.433 3.099 20 30 FGEDMO CC[N@H+]1CCc2c(cccc2NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000373406446 499468042 /nfs/dbraw/zinc/46/80/42/499468042.db2.gz RCLWYQAGSMHHRC-IBGZPJMESA-N 1 1 358.445 3.257 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375348167 499509560 /nfs/dbraw/zinc/50/95/60/499509560.db2.gz HKQJMSGRWZYWRL-MRXNPFEDSA-N 1 1 358.461 3.073 20 30 FGEDMO Cn1cc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000378494830 499524187 /nfs/dbraw/zinc/52/41/87/499524187.db2.gz LILGDMUDWFSCLA-QFIPXVFZSA-N 1 1 372.472 3.441 20 30 FGEDMO CN1C(=O)CSC12CC[NH+](CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000378623521 499538563 /nfs/dbraw/zinc/53/85/63/499538563.db2.gz MWLWJJYBEAQHTE-UHFFFAOYSA-N 1 1 368.424 3.054 20 30 FGEDMO N#Cc1ccc(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000380777115 499544273 /nfs/dbraw/zinc/54/42/73/499544273.db2.gz DYQMHRXGJKTRSX-YADHBBJMSA-N 1 1 359.473 3.081 20 30 FGEDMO C=CCOc1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000375860098 499562833 /nfs/dbraw/zinc/56/28/33/499562833.db2.gz GXUDFANSBHDQMA-SFHVURJKSA-N 1 1 361.438 3.399 20 30 FGEDMO C[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000396572396 499563125 /nfs/dbraw/zinc/56/31/25/499563125.db2.gz OUDPKESONDQEQS-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000396572396 499563127 /nfs/dbraw/zinc/56/31/27/499563127.db2.gz OUDPKESONDQEQS-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1Cc1ccccc1 ZINC000396572396 499563129 /nfs/dbraw/zinc/56/31/29/499563129.db2.gz OUDPKESONDQEQS-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO N#CCc1ccc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000404200555 499569942 /nfs/dbraw/zinc/56/99/42/499569942.db2.gz PSRTUDLNBDOXLT-DHIUTWEWSA-N 1 1 361.489 3.228 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000375975201 499572746 /nfs/dbraw/zinc/57/27/46/499572746.db2.gz LYSAKPABSDPBBW-OKYOBFRVSA-N 1 1 371.481 3.112 20 30 FGEDMO CSCC[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410850343 499682241 /nfs/dbraw/zinc/68/22/41/499682241.db2.gz CKPFECDPIWGHRX-LALPHHSUSA-N 1 1 365.465 3.047 20 30 FGEDMO C[C@H](NCc1cnc2ccc(C#N)cn12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000377407932 499687886 /nfs/dbraw/zinc/68/78/86/499687886.db2.gz CTDMVUCMINCBHD-PXNSSMCTSA-N 1 1 359.477 3.206 20 30 FGEDMO C[C@H](NCc1cnc2ccc(C#N)cn12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377407932 499687888 /nfs/dbraw/zinc/68/78/88/499687888.db2.gz CTDMVUCMINCBHD-PXNSSMCTSA-N 1 1 359.477 3.206 20 30 FGEDMO N#Cc1ncc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000411035861 499691601 /nfs/dbraw/zinc/69/16/01/499691601.db2.gz VRSLHSCBFZNCGZ-HNNXBMFYSA-N 1 1 354.841 3.457 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000377551808 499703971 /nfs/dbraw/zinc/70/39/71/499703971.db2.gz BBQWZLQGJVXSAJ-VGOFRKELSA-N 1 1 363.461 3.259 20 30 FGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411164126 499705171 /nfs/dbraw/zinc/70/51/71/499705171.db2.gz GSSFCHGLQJNECL-NRFANRHFSA-N 1 1 358.445 3.447 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000377655171 499716256 /nfs/dbraw/zinc/71/62/56/499716256.db2.gz XZUFGCYWDNPVOI-MRXNPFEDSA-N 1 1 364.449 3.132 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000411493995 499747469 /nfs/dbraw/zinc/74/74/69/499747469.db2.gz ZDJIUOANVZIZTQ-CQSZACIVSA-N 1 1 359.401 3.186 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000411493995 499747471 /nfs/dbraw/zinc/74/74/71/499747471.db2.gz ZDJIUOANVZIZTQ-CQSZACIVSA-N 1 1 359.401 3.186 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414189104 499767330 /nfs/dbraw/zinc/76/73/30/499767330.db2.gz QZEIFGOQHDJBOC-FPOVZHCZSA-N 1 1 359.510 3.292 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000411646162 499772885 /nfs/dbraw/zinc/77/28/85/499772885.db2.gz VBMOZOGOQPIMKG-INIZCTEOSA-N 1 1 374.554 3.083 20 30 FGEDMO C=CCN(C)CC[N@@H+](CC)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000411646162 499772887 /nfs/dbraw/zinc/77/28/87/499772887.db2.gz VBMOZOGOQPIMKG-INIZCTEOSA-N 1 1 374.554 3.083 20 30 FGEDMO C=CCN(C)CC[N@H+](CC)[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000411646162 499772889 /nfs/dbraw/zinc/77/28/89/499772889.db2.gz VBMOZOGOQPIMKG-INIZCTEOSA-N 1 1 374.554 3.083 20 30 FGEDMO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414518536 499802084 /nfs/dbraw/zinc/80/20/84/499802084.db2.gz UZWFFDXTPIDTMV-MJGOQNOKSA-N 1 1 367.497 3.026 20 30 FGEDMO C=C(C)Cn1c(C2CC2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414542835 499805830 /nfs/dbraw/zinc/80/58/30/499805830.db2.gz SJVHOUXKWVMCMV-KRWDZBQOSA-N 1 1 351.498 3.442 20 30 FGEDMO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000412002838 499811989 /nfs/dbraw/zinc/81/19/89/499811989.db2.gz NJWPQYMWBLOQHY-AKIFATBCSA-N 1 1 373.500 3.343 20 30 FGEDMO C=CCn1c(SCC[N@H+]2CCCOCC2)nnc1-c1cccc(C)c1 ZINC000412982092 499902176 /nfs/dbraw/zinc/90/21/76/499902176.db2.gz IBBBWIHGNNGHBY-UHFFFAOYSA-N 1 1 358.511 3.254 20 30 FGEDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000429007077 499980061 /nfs/dbraw/zinc/98/00/61/499980061.db2.gz LWJAUXNHDKMTNA-QWQRMKEZSA-N 1 1 362.315 3.483 20 30 FGEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000429007070 499980297 /nfs/dbraw/zinc/98/02/97/499980297.db2.gz LWJAUXNHDKMTNA-GLJUWKHASA-N 1 1 362.315 3.483 20 30 FGEDMO OC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(Br)c(F)c1 ZINC000429011647 499982381 /nfs/dbraw/zinc/98/23/81/499982381.db2.gz RTFDGBVMEQJXNY-QGZVFWFLSA-N 1 1 366.205 3.402 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421304035 500013880 /nfs/dbraw/zinc/01/38/80/500013880.db2.gz SXIGOBXQTZIZJT-QGZVFWFLSA-N 1 1 357.498 3.030 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3nccc(C#N)c3Cl)CC2)cc1 ZINC000429205460 500023773 /nfs/dbraw/zinc/02/37/73/500023773.db2.gz LXVUFPUKAOYLKB-UHFFFAOYSA-N 1 1 351.841 3.191 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3nccc(C#N)c3Cl)CC2)cc1 ZINC000429205460 500023774 /nfs/dbraw/zinc/02/37/74/500023774.db2.gz LXVUFPUKAOYLKB-UHFFFAOYSA-N 1 1 351.841 3.191 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(c3nccc(C#N)c3Cl)CC2)cc1 ZINC000429204159 500023787 /nfs/dbraw/zinc/02/37/87/500023787.db2.gz OSOZZEPZTLFVSF-UHFFFAOYSA-N 1 1 356.857 3.328 20 30 FGEDMO CSC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000429277684 500041005 /nfs/dbraw/zinc/04/10/05/500041005.db2.gz VXPOJVMODIQUGT-VIHIWDAPSA-N 1 1 351.560 3.381 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)c1 ZINC000425234663 500051855 /nfs/dbraw/zinc/05/18/55/500051855.db2.gz ZCLDMKKGSSYKNK-HNNXBMFYSA-N 1 1 366.421 3.358 20 30 FGEDMO N#Cc1c2c(cnc1N1C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C1)CCC2 ZINC000425266036 500059924 /nfs/dbraw/zinc/05/99/24/500059924.db2.gz GRONBHKCMMYKHE-WOJBJXKFSA-N 1 1 358.489 3.400 20 30 FGEDMO C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000416694730 500089750 /nfs/dbraw/zinc/08/97/50/500089750.db2.gz UIPUVOZBPSVNBB-QINHECLXSA-N 1 1 354.498 3.355 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000425393455 500093099 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FGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000467509831 501811628 /nfs/dbraw/zinc/81/16/28/501811628.db2.gz BEPSBJWIGBHHLQ-CYBMUJFWSA-N 1 1 357.841 3.419 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(Cl)c(Br)c2)C1=O ZINC000467511519 501811838 /nfs/dbraw/zinc/81/18/38/501811838.db2.gz LRVFXZGMDFARKN-AWEZNQCLSA-N 1 1 357.679 3.321 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)c(Br)c2)C1=O ZINC000467511519 501811841 /nfs/dbraw/zinc/81/18/41/501811841.db2.gz LRVFXZGMDFARKN-AWEZNQCLSA-N 1 1 357.679 3.321 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000467520717 501815392 /nfs/dbraw/zinc/81/53/92/501815392.db2.gz JOZQPHWJAAFAET-QGZVFWFLSA-N 1 1 355.394 3.074 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000467520717 501815400 /nfs/dbraw/zinc/81/54/00/501815400.db2.gz JOZQPHWJAAFAET-QGZVFWFLSA-N 1 1 355.394 3.074 20 30 FGEDMO N#CC[C@@H](CC(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000474417938 501828367 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361.534 3.118 20 30 FGEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460777203 501918628 /nfs/dbraw/zinc/91/86/28/501918628.db2.gz FSZPCUIAMQYPFZ-SJORKVTESA-N 1 1 361.534 3.057 20 30 FGEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000460807332 501925374 /nfs/dbraw/zinc/92/53/74/501925374.db2.gz SAHLFZJTMBSLFC-SJORKVTESA-N 1 1 356.518 3.169 20 30 FGEDMO C=CCCOCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474887184 501980931 /nfs/dbraw/zinc/98/09/31/501980931.db2.gz LJOYDKCOPSSIRQ-UHFFFAOYSA-N 1 1 367.177 3.252 20 30 FGEDMO N#CCC1(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)CC1 ZINC000602759950 506289060 /nfs/dbraw/zinc/28/90/60/506289060.db2.gz SOXAIGNBOVYOLL-UHFFFAOYSA-N 1 1 371.510 3.042 20 30 FGEDMO N#CCC1(C[NH+]2CCN(CCCc3nc(-c4cccs4)no3)CC2)CC1 ZINC000602759950 506289063 /nfs/dbraw/zinc/28/90/63/506289063.db2.gz SOXAIGNBOVYOLL-UHFFFAOYSA-N 1 1 371.510 3.042 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000468425786 502055908 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TWILKXMIERMWIL-UHFFFAOYSA-N 1 1 372.534 3.179 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CCN(Cc1ccccc1)S(C)(=O)=O ZINC000483584632 502437731 /nfs/dbraw/zinc/43/77/31/502437731.db2.gz TWILKXMIERMWIL-UHFFFAOYSA-N 1 1 372.534 3.179 20 30 FGEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000480015216 502446248 /nfs/dbraw/zinc/44/62/48/502446248.db2.gz GMPYEYRINPZWTA-MRXNPFEDSA-N 1 1 351.498 3.262 20 30 FGEDMO C=CC[C@H]1CCCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2CC(C)C)C1 ZINC000611813956 506317157 /nfs/dbraw/zinc/31/71/57/506317157.db2.gz HPINNCMICXIDAQ-OTWHNJEPSA-N 1 1 373.545 3.262 20 30 FGEDMO N#Cc1cc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000476543789 502519779 /nfs/dbraw/zinc/51/97/79/502519779.db2.gz KOKQWPLITRBSRO-UHFFFAOYSA-N 1 1 360.461 3.082 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000487766898 502524769 /nfs/dbraw/zinc/52/47/69/502524769.db2.gz CXAXIEYBODVWPI-HOTGVXAUSA-N 1 1 368.481 3.219 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](CO)c1ccsc1 ZINC000473172180 502534903 /nfs/dbraw/zinc/53/49/03/502534903.db2.gz TWXQTUKQFWMRHJ-XJKSGUPXSA-N 1 1 350.509 3.036 20 30 FGEDMO Cc1ccc2ncc(C#N)c(N(C)CC(C)(C)C[NH+]3CCOCC3)c2c1 ZINC000488090611 502623963 /nfs/dbraw/zinc/62/39/63/502623963.db2.gz ORTQKFBHAHFKAU-UHFFFAOYSA-N 1 1 352.482 3.210 20 30 FGEDMO COC(=O)c1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)n(C)c1C ZINC000462959171 502642810 /nfs/dbraw/zinc/64/28/10/502642810.db2.gz YQMYZDZGRFCOMJ-UHFFFAOYSA-N 1 1 367.449 3.035 20 30 FGEDMO CCC1CCC([N@@H+](CCO)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000488182133 502649853 /nfs/dbraw/zinc/64/98/53/502649853.db2.gz LVNAUUHJKYNADO-UHFFFAOYSA-N 1 1 354.454 3.371 20 30 FGEDMO C=CC[N@H+](CC(=O)NC[C@@H]1COc2ccccc2O1)CC1CCCCC1 ZINC000484513439 502658185 /nfs/dbraw/zinc/65/81/85/502658185.db2.gz JUJQADHVBRQZNL-GOSISDBHSA-N 1 1 358.482 3.011 20 30 FGEDMO N#Cc1ccc(C[N@H+](CCO)Cc2cccc(Br)c2)c(F)c1 ZINC000488230504 502664136 /nfs/dbraw/zinc/66/41/36/502664136.db2.gz JVJULCIJVNMOFU-UHFFFAOYSA-N 1 1 363.230 3.454 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCO)Cc2cccc(Br)c2)c(F)c1 ZINC000488230504 502664137 /nfs/dbraw/zinc/66/41/37/502664137.db2.gz JVJULCIJVNMOFU-UHFFFAOYSA-N 1 1 363.230 3.454 20 30 FGEDMO C=CC[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)CC1CCCCC1 ZINC000484572213 502672937 /nfs/dbraw/zinc/67/29/37/502672937.db2.gz VVYVOZXTTSPHIK-UHFFFAOYSA-N 1 1 370.541 3.189 20 30 FGEDMO C=CCN(CC[N@H+]1CCCOCC1)Cc1cc(Br)ccc1F ZINC000463073479 502683493 /nfs/dbraw/zinc/68/34/93/502683493.db2.gz WSLGBNBKVDSWAY-UHFFFAOYSA-N 1 1 371.294 3.299 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000470369700 502752552 /nfs/dbraw/zinc/75/25/52/502752552.db2.gz PPNFUWMAYWNQBI-PGRDOPGGSA-N 1 1 353.510 3.365 20 30 FGEDMO C=CCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000467103867 502788099 /nfs/dbraw/zinc/78/80/99/502788099.db2.gz KMGATLGKGIEHBS-INIZCTEOSA-N 1 1 355.404 3.497 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1C ZINC000463442965 502806406 /nfs/dbraw/zinc/80/64/06/502806406.db2.gz IKHPTTIEUIICFQ-QFIPXVFZSA-N 1 1 352.478 3.110 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1C ZINC000463442965 502806411 /nfs/dbraw/zinc/80/64/11/502806411.db2.gz IKHPTTIEUIICFQ-QFIPXVFZSA-N 1 1 352.478 3.110 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1C ZINC000485078675 502813470 /nfs/dbraw/zinc/81/34/70/502813470.db2.gz VWIORHNQJJZYDH-OAQYLSRUSA-N 1 1 352.478 3.455 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1C ZINC000485078675 502813471 /nfs/dbraw/zinc/81/34/71/502813471.db2.gz VWIORHNQJJZYDH-OAQYLSRUSA-N 1 1 352.478 3.455 20 30 FGEDMO N#Cc1ccc(N2CCC([N@H+]3CCCOCC3)CC2)c(C(F)(F)F)c1 ZINC000596269038 506335857 /nfs/dbraw/zinc/33/58/57/506335857.db2.gz RGNFUCGHUZGEKD-UHFFFAOYSA-N 1 1 353.388 3.268 20 30 FGEDMO N#Cc1cccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000504889269 502818924 /nfs/dbraw/zinc/81/89/24/502818924.db2.gz ULGFAIXKSUATAE-LJQANCHMSA-N 1 1 369.415 3.332 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488919321 502838708 /nfs/dbraw/zinc/83/87/08/502838708.db2.gz OYVBHOLCGFDCHM-KRWDZBQOSA-N 1 1 357.498 3.267 20 30 FGEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)C1(C#N)CCCCC1)c1ccccc1 ZINC000505040301 502844264 /nfs/dbraw/zinc/84/42/64/502844264.db2.gz HKYMSDBKMROKDO-LJQANCHMSA-N 1 1 357.498 3.286 20 30 FGEDMO CCC[N@@H+]1CCC[C@H]1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000513073900 502845257 /nfs/dbraw/zinc/84/52/57/502845257.db2.gz FBOVTYLVBNNMBS-FQEVSTJZSA-N 1 1 351.498 3.428 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000513073900 502845260 /nfs/dbraw/zinc/84/52/60/502845260.db2.gz FBOVTYLVBNNMBS-FQEVSTJZSA-N 1 1 351.498 3.428 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ccc(C#N)c([N+](=O)[O-])c2)cc1 ZINC000599138423 506339113 /nfs/dbraw/zinc/33/91/13/506339113.db2.gz CHJKBFOQNAZTKU-QGZVFWFLSA-N 1 1 352.394 3.161 20 30 FGEDMO C=CCCCS(=O)(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000489112744 502881939 /nfs/dbraw/zinc/88/19/39/502881939.db2.gz DUUWSMSPDLOHEN-HKUYNNGSSA-N 1 1 350.528 3.440 20 30 FGEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593018191 506339678 /nfs/dbraw/zinc/33/96/78/506339678.db2.gz PRBHUWWSPIMOSN-HNNXBMFYSA-N 1 1 368.412 3.484 20 30 FGEDMO COc1cc(OC)c2ncc(C#N)c(NC[C@@H]3CCCC[N@@H+](C)C3)c2c1 ZINC000599139402 506340820 /nfs/dbraw/zinc/34/08/20/506340820.db2.gz NSHCIEXYVNXICX-AWEZNQCLSA-N 1 1 354.454 3.267 20 30 FGEDMO CCc1ccc([C@H]2CN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC[NH2+]2)cc1 ZINC000505543945 502931806 /nfs/dbraw/zinc/93/18/06/502931806.db2.gz WZIPDNIQWCMOAM-OXQOHEQNSA-N 1 1 363.461 3.061 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000489611702 502998253 /nfs/dbraw/zinc/99/82/53/502998253.db2.gz BCYWWPHVEAHELU-HNNXBMFYSA-N 1 1 364.433 3.194 20 30 FGEDMO CCOc1ccc(NC(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602908170 506346860 /nfs/dbraw/zinc/34/68/60/506346860.db2.gz AICWZKVEIUEWEF-UHFFFAOYSA-N 1 1 364.449 3.170 20 30 FGEDMO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000505923097 503014390 /nfs/dbraw/zinc/01/43/90/503014390.db2.gz PTPVYCGUEUOEJY-UHFFFAOYSA-N 1 1 353.853 3.212 20 30 FGEDMO C[C@@H](CNC(=O)NCCSCc1ccccc1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000501489258 503019408 /nfs/dbraw/zinc/01/94/08/503019408.db2.gz FUSAKCWDTHLUBD-SJORKVTESA-N 1 1 374.554 3.211 20 30 FGEDMO N#Cc1ccnc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)c1 ZINC000497784041 503040272 /nfs/dbraw/zinc/04/02/72/503040272.db2.gz SQUICIIPFVDYHS-SFHVURJKSA-N 1 1 368.868 3.391 20 30 FGEDMO N#Cc1ccnc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000497784041 503040275 /nfs/dbraw/zinc/04/02/75/503040275.db2.gz SQUICIIPFVDYHS-SFHVURJKSA-N 1 1 368.868 3.391 20 30 FGEDMO O=C(NCC#Cc1cccc(F)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000513919041 503048646 /nfs/dbraw/zinc/04/86/46/503048646.db2.gz SQPGZXIVEVJPBH-OAQYLSRUSA-N 1 1 350.437 3.348 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000506113480 503050649 /nfs/dbraw/zinc/05/06/49/503050649.db2.gz SAIXYHSIHRRZSG-HWKANZROSA-N 1 1 362.433 3.297 20 30 FGEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000510134935 503056834 /nfs/dbraw/zinc/05/68/34/503056834.db2.gz RJIRTIJJBLXFAG-NRFANRHFSA-N 1 1 352.482 3.086 20 30 FGEDMO C[NH+](C)CCCC1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000501768194 503074798 /nfs/dbraw/zinc/07/47/98/503074798.db2.gz ACUUNGWYCSHKFG-UHFFFAOYSA-N 1 1 353.470 3.162 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](n4ncc5ccccc54)C3)o2)c1 ZINC000510407730 503108596 /nfs/dbraw/zinc/10/85/96/503108596.db2.gz SNXWYVCZSHCOGE-GOSISDBHSA-N 1 1 370.416 3.405 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](n4ncc5ccccc54)C3)o2)c1 ZINC000510407730 503108599 /nfs/dbraw/zinc/10/85/99/503108599.db2.gz SNXWYVCZSHCOGE-GOSISDBHSA-N 1 1 370.416 3.405 20 30 FGEDMO CC1(C)C[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)c2ccc(F)cc2O1 ZINC000582666046 506354975 /nfs/dbraw/zinc/35/49/75/506354975.db2.gz IERZKIRJTGQLGJ-INIZCTEOSA-N 1 1 351.385 3.132 20 30 FGEDMO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1nc(-c2cccs2)no1 ZINC000510650323 503164960 /nfs/dbraw/zinc/16/49/60/503164960.db2.gz ZNNOLBSNLKBGQC-UHFFFAOYSA-N 1 1 373.463 3.192 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1nc(-c2cccs2)no1 ZINC000510650323 503164961 /nfs/dbraw/zinc/16/49/61/503164961.db2.gz ZNNOLBSNLKBGQC-UHFFFAOYSA-N 1 1 373.463 3.192 20 30 FGEDMO C=CCc1ccc(OCC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000498353380 503165131 /nfs/dbraw/zinc/16/51/31/503165131.db2.gz LYPWMWVZZWYTGZ-DLBZAZTESA-N 1 1 360.498 3.039 20 30 FGEDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000514697577 503170140 /nfs/dbraw/zinc/17/01/40/503170140.db2.gz QJGGEICXAZCWBL-UHFFFAOYSA-N 1 1 353.388 3.315 20 30 FGEDMO Cc1onc(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C#N ZINC000498524408 503202115 /nfs/dbraw/zinc/20/21/15/503202115.db2.gz FOSCZQBSVLAYAQ-CQSZACIVSA-N 1 1 352.438 3.268 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](CCO)CC2CC2)c1C#N ZINC000510937149 503221166 /nfs/dbraw/zinc/22/11/66/503221166.db2.gz REMAYAMYUSBQIL-UHFFFAOYSA-N 1 1 372.513 3.125 20 30 FGEDMO C=CCC[C@@H](O)C[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510946426 503222923 /nfs/dbraw/zinc/22/29/23/503222923.db2.gz BHICLWDIYIQYBK-CQSZACIVSA-N 1 1 368.275 3.068 20 30 FGEDMO C=CC[N@H+](CCc1csc(C)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000502693954 503253557 /nfs/dbraw/zinc/25/35/57/503253557.db2.gz NDWCZEINQRTMGT-AWEZNQCLSA-N 1 1 354.483 3.219 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511097146 503254142 /nfs/dbraw/zinc/25/41/42/503254142.db2.gz SUAFMKYTAWCOJX-UHFFFAOYSA-N 1 1 355.394 3.028 20 30 FGEDMO CC(C)O[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000593055233 506362311 /nfs/dbraw/zinc/36/23/11/506362311.db2.gz IRTOPUYCXKZHQR-VQIMIIECSA-N 1 1 361.461 3.350 20 30 FGEDMO CC(C)O[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000593055233 506362318 /nfs/dbraw/zinc/36/23/18/506362318.db2.gz IRTOPUYCXKZHQR-VQIMIIECSA-N 1 1 361.461 3.350 20 30 FGEDMO C=C(C)COCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511512883 503335149 /nfs/dbraw/zinc/33/51/49/503335149.db2.gz MQKNIJDJMLURCN-IBGZPJMESA-N 1 1 359.514 3.179 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCCn1ccnc1C ZINC000503076403 503342962 /nfs/dbraw/zinc/34/29/62/503342962.db2.gz UGZQPHRREJHSQK-MRXNPFEDSA-N 1 1 360.527 3.178 20 30 FGEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000492660029 503379749 /nfs/dbraw/zinc/37/97/49/503379749.db2.gz XVHHFPXABLQQLQ-INIZCTEOSA-N 1 1 365.271 3.091 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)COc1ccc(C#N)cc1 ZINC000499426211 503400715 /nfs/dbraw/zinc/40/07/15/503400715.db2.gz DQACOHQYBBXUBH-ROUUACIJSA-N 1 1 363.461 3.058 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+]2CCc3sc(-c4csc(C)n4)cc3C2)C1=O ZINC000499600832 503439767 /nfs/dbraw/zinc/43/97/67/503439767.db2.gz PNYUJKFGEQDWTM-OAHLLOKOSA-N 1 1 359.520 3.325 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+]2CCc3sc(-c4csc(C)n4)cc3C2)C1=O ZINC000499600832 503439769 /nfs/dbraw/zinc/43/97/69/503439769.db2.gz PNYUJKFGEQDWTM-OAHLLOKOSA-N 1 1 359.520 3.325 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccccc1Br)[C@H]1CCC[C@H]1C#N ZINC000602979748 506371725 /nfs/dbraw/zinc/37/17/25/506371725.db2.gz HTDJVJQIAIFIJJ-WFASDCNBSA-N 1 1 350.260 3.402 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCCOC1 ZINC000593070037 506372713 /nfs/dbraw/zinc/37/27/13/506372713.db2.gz NCFOOOWTMJYSAX-CVEARBPZSA-N 1 1 361.511 3.378 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCCOC1 ZINC000593070037 506372716 /nfs/dbraw/zinc/37/27/16/506372716.db2.gz NCFOOOWTMJYSAX-CVEARBPZSA-N 1 1 361.511 3.378 20 30 FGEDMO C[C@H]1OCC[C@]1(O)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000499765892 503476935 /nfs/dbraw/zinc/47/69/35/503476935.db2.gz AIAGAHIYQLDZDZ-KNQAVFIVSA-N 1 1 372.509 3.129 20 30 FGEDMO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000508741934 503555691 /nfs/dbraw/zinc/55/56/91/503555691.db2.gz ZYKUNYDADCEXGV-OAHLLOKOSA-N 1 1 368.510 3.404 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3F)C2)nc1 ZINC000512464342 503560271 /nfs/dbraw/zinc/56/02/71/503560271.db2.gz WPCHSBFZCWQNML-QGZVFWFLSA-N 1 1 352.413 3.252 20 30 FGEDMO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508834579 503573437 /nfs/dbraw/zinc/57/34/37/503573437.db2.gz VIMXGWXECOWEDB-FUHWJXTLSA-N 1 1 367.497 3.486 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@H+](C)CC[C@H]2C)cc1 ZINC000494678924 503590542 /nfs/dbraw/zinc/59/05/42/503590542.db2.gz HOZKELSMADLYAV-QGZVFWFLSA-N 1 1 370.497 3.059 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494704380 503596606 /nfs/dbraw/zinc/59/66/06/503596606.db2.gz RKTQHFVNQZFCSM-SUMWQHHRSA-N 1 1 361.873 3.430 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494704380 503596610 /nfs/dbraw/zinc/59/66/10/503596610.db2.gz RKTQHFVNQZFCSM-SUMWQHHRSA-N 1 1 361.873 3.430 20 30 FGEDMO CC[C@H](C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]1(C)c1ccccc1 ZINC000599237228 506381468 /nfs/dbraw/zinc/38/14/68/506381468.db2.gz HGTHJKXWXJKBNG-MQSCRBSSSA-N 1 1 361.489 3.495 20 30 FGEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512668881 503607835 /nfs/dbraw/zinc/60/78/35/503607835.db2.gz WZIJRBYJNMCFTH-NBCNXNJRSA-N 1 1 367.468 3.231 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512668881 503607836 /nfs/dbraw/zinc/60/78/36/503607836.db2.gz WZIJRBYJNMCFTH-NBCNXNJRSA-N 1 1 367.468 3.231 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)c1C ZINC000512834540 503642062 /nfs/dbraw/zinc/64/20/62/503642062.db2.gz SKHFVFFQFGDWOM-INIZCTEOSA-N 1 1 365.424 3.111 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](COC(F)F)C2)c1C ZINC000512834540 503642064 /nfs/dbraw/zinc/64/20/64/503642064.db2.gz SKHFVFFQFGDWOM-INIZCTEOSA-N 1 1 365.424 3.111 20 30 FGEDMO CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512839936 503643072 /nfs/dbraw/zinc/64/30/72/503643072.db2.gz LFNKRLDPKNHABB-KRWDZBQOSA-N 1 1 373.472 3.332 20 30 FGEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)C1CC1 ZINC000540056630 503655536 /nfs/dbraw/zinc/65/55/36/503655536.db2.gz TUJPDQMXTXFIAF-OAQYLSRUSA-N 1 1 358.482 3.312 20 30 FGEDMO C=CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)C1CC1 ZINC000540056630 503655539 /nfs/dbraw/zinc/65/55/39/503655539.db2.gz TUJPDQMXTXFIAF-OAQYLSRUSA-N 1 1 358.482 3.312 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000527048397 503657726 /nfs/dbraw/zinc/65/77/26/503657726.db2.gz DGIHYXZVPQGIIL-UONOGXRCSA-N 1 1 370.428 3.097 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000527048397 503657728 /nfs/dbraw/zinc/65/77/28/503657728.db2.gz DGIHYXZVPQGIIL-UONOGXRCSA-N 1 1 370.428 3.097 20 30 FGEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC(C)(C)C#N ZINC000512931552 503659436 /nfs/dbraw/zinc/65/94/36/503659436.db2.gz MFBGDIYFRUVONB-LPHOPBHVSA-N 1 1 371.529 3.182 20 30 FGEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCC(C)(C)C#N ZINC000512931552 503659442 /nfs/dbraw/zinc/65/94/42/503659442.db2.gz MFBGDIYFRUVONB-LPHOPBHVSA-N 1 1 371.529 3.182 20 30 FGEDMO C=CC[C@H](CO)CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000540386940 503755192 /nfs/dbraw/zinc/75/51/92/503755192.db2.gz YSDAFFWAJSNTGU-SFHVURJKSA-N 1 1 373.541 3.435 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CCC1 ZINC000527377863 503782749 /nfs/dbraw/zinc/78/27/49/503782749.db2.gz USBLYGAFKXQMAH-AWEZNQCLSA-N 1 1 354.479 3.038 20 30 FGEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CCC1 ZINC000527377863 503782756 /nfs/dbraw/zinc/78/27/56/503782756.db2.gz USBLYGAFKXQMAH-AWEZNQCLSA-N 1 1 354.479 3.038 20 30 FGEDMO CC(C)[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1cccc(Br)c1 ZINC000527377809 503783387 /nfs/dbraw/zinc/78/33/87/503783387.db2.gz IXZWYCSLAYHILX-UHFFFAOYSA-N 1 1 364.287 3.222 20 30 FGEDMO Cc1sc(NC(=O)CN2CCC(C[N@H+](C)C(C)C)CC2)c(C#N)c1C ZINC000533271742 503786942 /nfs/dbraw/zinc/78/69/42/503786942.db2.gz UABDXTURJWAMIN-UHFFFAOYSA-N 1 1 362.543 3.227 20 30 FGEDMO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000517620216 503787283 /nfs/dbraw/zinc/78/72/83/503787283.db2.gz UIBHAWRJFJHJIK-KZNAEPCWSA-N 1 1 357.498 3.185 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000537075106 503794332 /nfs/dbraw/zinc/79/43/32/503794332.db2.gz HNDNCBZPFLHTKS-QGZVFWFLSA-N 1 1 361.367 3.458 20 30 FGEDMO C[C@@H](c1ccc(-c2cccc(F)c2C#N)cc1)N1CC[NH+](CCO)CC1 ZINC000527590073 503844699 /nfs/dbraw/zinc/84/46/99/503844699.db2.gz XROYUFIRRAPYFQ-INIZCTEOSA-N 1 1 353.441 3.035 20 30 FGEDMO COC(C)(C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000533482040 503859472 /nfs/dbraw/zinc/85/94/72/503859472.db2.gz DYCNBUBAVDYGLV-ZDUSSCGKSA-N 1 1 363.527 3.430 20 30 FGEDMO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000517907938 503864776 /nfs/dbraw/zinc/86/47/76/503864776.db2.gz LSIYYSNSVJXGHE-TVRKMHQQSA-N 1 1 369.509 3.485 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COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000599699744 506589804 /nfs/dbraw/zinc/58/98/04/506589804.db2.gz YXGHECHNKQHDMP-JJLQDPRZSA-N 1 1 365.271 3.483 20 30 FGEDMO CCCCCc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000596828496 506621694 /nfs/dbraw/zinc/62/16/94/506621694.db2.gz KZEHVITUUQPEIJ-UHFFFAOYSA-N 1 1 367.497 3.218 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000596846033 506634776 /nfs/dbraw/zinc/63/47/76/506634776.db2.gz LESMQKYGVGWOJQ-OAHLLOKOSA-N 1 1 359.474 3.006 20 30 FGEDMO CCCN(C(=O)c1cccc(C#N)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000589763392 506645095 /nfs/dbraw/zinc/64/50/95/506645095.db2.gz ZTTPTQNEGGOLOR-FQEVSTJZSA-N 1 1 362.477 3.470 20 30 FGEDMO COc1ccc([C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)c2ccccc2)cc1 ZINC000603892980 506652094 /nfs/dbraw/zinc/65/20/94/506652094.db2.gz MYOXUAPJYLGXBX-OAQYLSRUSA-N 1 1 369.428 3.489 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(Cc3cccc(F)c3C#N)CC2)cc1 ZINC000589820154 506653440 /nfs/dbraw/zinc/65/34/40/506653440.db2.gz AYSUVGUGBMYZRN-UHFFFAOYSA-N 1 1 353.441 3.414 20 30 FGEDMO N#CCCC1CC[NH+](CC(=O)Nc2ccnn2CC2CCCCC2)CC1 ZINC000583259957 506683051 /nfs/dbraw/zinc/68/30/51/506683051.db2.gz HBTIPBBYVXSSHS-UHFFFAOYSA-N 1 1 357.502 3.418 20 30 FGEDMO CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccc(C#N)cc2C)CC1 ZINC000590025770 506709672 /nfs/dbraw/zinc/70/96/72/506709672.db2.gz SCPGRNTVBWKLBQ-UHFFFAOYSA-N 1 1 368.506 3.336 20 30 FGEDMO CC(C)C[NH+]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000608810691 506716212 /nfs/dbraw/zinc/71/62/12/506716212.db2.gz GKLTYKKDHSUJRF-UHFFFAOYSA-N 1 1 367.449 3.144 20 30 FGEDMO Cc1cc(C[N@@H+](CC(C)(C)CCC#N)C2CC2)cc(S(N)(=O)=O)c1C ZINC000593670015 506721364 /nfs/dbraw/zinc/72/13/64/506721364.db2.gz FQYFSHXCEOUSGK-UHFFFAOYSA-N 1 1 363.527 3.245 20 30 FGEDMO COc1ccc(C[N@@H+](CCO)Cc2ccc(C3(C#N)CC3)cc2)c(OC)c1 ZINC000597010293 506729841 /nfs/dbraw/zinc/72/98/41/506729841.db2.gz MQUCBGLIVUCREV-UHFFFAOYSA-N 1 1 366.461 3.253 20 30 FGEDMO Cc1ccc(-c2noc([C@H](C)N3CC[NH+]([C@H]4CC[C@H](C#N)C4)CC3)n2)cc1 ZINC000590154133 506752115 /nfs/dbraw/zinc/75/21/15/506752115.db2.gz BEJFEEVEWXGDOE-LNLFQRSKSA-N 1 1 365.481 3.416 20 30 FGEDMO N#CC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CCCC1 ZINC000593774981 506770719 /nfs/dbraw/zinc/77/07/19/506770719.db2.gz IHDHDRLSAQCMDU-KRWDZBQOSA-N 1 1 361.436 3.344 20 30 FGEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609110188 506779164 /nfs/dbraw/zinc/77/91/64/506779164.db2.gz UOONPXGNYKHNBJ-NHCUHLMSSA-N 1 1 368.525 3.298 20 30 FGEDMO N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4ccccc4)CC3)C2=O)cc1 ZINC000609121747 506781652 /nfs/dbraw/zinc/78/16/52/506781652.db2.gz HNLMADJODITYSJ-FQEVSTJZSA-N 1 1 359.429 3.070 20 30 FGEDMO CN(c1nnc(-c2ccc(C#N)cc2)n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583533386 506831346 /nfs/dbraw/zinc/83/13/46/506831346.db2.gz QSBFBGVWSAWQRL-HXUWFJFHSA-N 1 1 372.476 3.064 20 30 FGEDMO COc1cc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cc(Cl)c1OC ZINC000593944659 506839976 /nfs/dbraw/zinc/83/99/76/506839976.db2.gz ZNYSYFXYGMLVLS-GFCCVEGCSA-N 1 1 350.806 3.491 20 30 FGEDMO N#Cc1cc(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)ncn1 ZINC000583557973 506846442 /nfs/dbraw/zinc/84/64/42/506846442.db2.gz JOUDLNCMDRCXPH-SFHVURJKSA-N 1 1 361.474 3.043 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000604501271 506853186 /nfs/dbraw/zinc/85/31/86/506853186.db2.gz WRJIXPWJJSOYGX-NRFANRHFSA-N 1 1 361.445 3.029 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000604510972 506855673 /nfs/dbraw/zinc/85/56/73/506855673.db2.gz FPEARTXCBWECSA-UHFFFAOYSA-N 1 1 350.422 3.125 20 30 FGEDMO C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000583571892 506856852 /nfs/dbraw/zinc/85/68/52/506856852.db2.gz BSKFCIMNFVOODS-KDOFPFPSSA-N 1 1 369.852 3.152 20 30 FGEDMO N#CCCCCC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593997290 506873310 /nfs/dbraw/zinc/87/33/10/506873310.db2.gz ZKXZBTXVOMXIDI-SFHVURJKSA-N 1 1 351.454 3.353 20 30 FGEDMO CC[C@H](CC#N)[NH2+]Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000613043387 506878280 /nfs/dbraw/zinc/87/82/80/506878280.db2.gz CLXSDEZYNJKLSX-MRXNPFEDSA-N 1 1 356.495 3.429 20 30 FGEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nc1 ZINC000594014452 506882937 /nfs/dbraw/zinc/88/29/37/506882937.db2.gz QUKNLWDCDXOJPL-WGSAOQKQSA-N 1 1 366.421 3.167 20 30 FGEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)nc1 ZINC000594014452 506882941 /nfs/dbraw/zinc/88/29/41/506882941.db2.gz QUKNLWDCDXOJPL-WGSAOQKQSA-N 1 1 366.421 3.167 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OCC(F)(F)F)nn1 ZINC000594013131 506883359 /nfs/dbraw/zinc/88/33/59/506883359.db2.gz SDYHNXBKOHKTAQ-GFCCVEGCSA-N 1 1 350.344 3.482 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OCC(F)(F)F)nn1 ZINC000594013131 506883365 /nfs/dbraw/zinc/88/33/65/506883365.db2.gz SDYHNXBKOHKTAQ-GFCCVEGCSA-N 1 1 350.344 3.482 20 30 FGEDMO C=CC[C@@H]1CCCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2CC2CC2)C1 ZINC000613079442 506897674 /nfs/dbraw/zinc/89/76/74/506897674.db2.gz IELRTYDFCLMOGX-QRQLOZEOSA-N 1 1 371.529 3.016 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CSc1ccc(C#N)cc1 ZINC000609508336 506902617 /nfs/dbraw/zinc/90/26/17/506902617.db2.gz JDQUULSGXVDXOY-QGZVFWFLSA-N 1 1 365.502 3.383 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CSc1ccc(C#N)cc1 ZINC000609508336 506902624 /nfs/dbraw/zinc/90/26/24/506902624.db2.gz JDQUULSGXVDXOY-QGZVFWFLSA-N 1 1 365.502 3.383 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000594046366 506904038 /nfs/dbraw/zinc/90/40/38/506904038.db2.gz GLXIRIXBOQLJLL-RTBURBONSA-N 1 1 361.489 3.470 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000594046366 506904043 /nfs/dbraw/zinc/90/40/43/506904043.db2.gz GLXIRIXBOQLJLL-RTBURBONSA-N 1 1 361.489 3.470 20 30 FGEDMO N#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1 ZINC000609589602 506933898 /nfs/dbraw/zinc/93/38/98/506933898.db2.gz SSIBJYWKNHGQJD-IEBWSBKVSA-N 1 1 368.868 3.328 20 30 FGEDMO CC[C@H](C#N)N(C)C(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000594093726 506936007 /nfs/dbraw/zinc/93/60/07/506936007.db2.gz FALWRQGHRRPGLQ-WBVHZDCISA-N 1 1 353.388 3.202 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)C[C@@H]1C ZINC000597427656 506950097 /nfs/dbraw/zinc/95/00/97/506950097.db2.gz WXVKHZCCYIRDCG-HOTGVXAUSA-N 1 1 364.497 3.146 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C[C@@H]1CCOC1 ZINC000609631794 506953371 /nfs/dbraw/zinc/95/33/71/506953371.db2.gz ZVMHOIFCQWFDGY-HOTGVXAUSA-N 1 1 361.511 3.235 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCSC[C@H]2C2CC2)sc2c1CCC2 ZINC000583798741 506980544 /nfs/dbraw/zinc/98/05/44/506980544.db2.gz DRODXAPXRCJJCV-HNNXBMFYSA-N 1 1 361.536 3.264 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594202874 507005520 /nfs/dbraw/zinc/00/55/20/507005520.db2.gz UGYFVXJYUJOIPC-GGPKGHCWSA-N 1 1 355.482 3.095 20 30 FGEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CC(=O)Nc3sccc3C#N)C2)c1 ZINC000583853527 507009650 /nfs/dbraw/zinc/00/96/50/507009650.db2.gz MYEYKXIGFVTNBE-WKILWMFISA-N 1 1 355.463 3.445 20 30 FGEDMO CNc1ccc(C#N)cc1NC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000597604555 507026728 /nfs/dbraw/zinc/02/67/28/507026728.db2.gz HODCOADWWRLZDF-IBGZPJMESA-N 1 1 362.477 3.493 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000591011525 507077974 /nfs/dbraw/zinc/07/79/74/507077974.db2.gz ZWQHKTGFBRXXAO-GOSISDBHSA-N 1 1 368.525 3.473 20 30 FGEDMO N#Cc1c(F)cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1F ZINC000597793106 507105054 /nfs/dbraw/zinc/10/50/54/507105054.db2.gz RJJBJTBRTCYANU-MGPUTAFESA-N 1 1 367.399 3.183 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCCOc2ccc(C#N)cc2OC)C[C@@H]1C ZINC000610125786 507108348 /nfs/dbraw/zinc/10/83/48/507108348.db2.gz SJVSXWYGCKJLMW-WMZOPIPTSA-N 1 1 373.497 3.057 20 30 FGEDMO CCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000610134163 507111514 /nfs/dbraw/zinc/11/15/14/507111514.db2.gz RQXVYLXIEZUZLT-OALUTQOASA-N 1 1 357.498 3.090 20 30 FGEDMO Cc1cccc2c1ncc(C#N)c2NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000610211433 507139916 /nfs/dbraw/zinc/13/99/16/507139916.db2.gz WNFWNLAEMJXIHW-UHFFFAOYSA-N 1 1 372.472 3.281 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[N@H+]1C ZINC000610319446 507191499 /nfs/dbraw/zinc/19/14/99/507191499.db2.gz AJBPUVGKNBSYNR-GOEBONIOSA-N 1 1 365.437 3.350 20 30 FGEDMO CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000597946917 507193992 /nfs/dbraw/zinc/19/39/92/507193992.db2.gz SJXTWCOFYIBGDL-FQEVSTJZSA-N 1 1 363.461 3.303 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000591322943 507200216 /nfs/dbraw/zinc/20/02/16/507200216.db2.gz WLSQEQKJNPZKQU-RTWAWAEBSA-N 1 1 360.461 3.111 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000591322943 507200226 /nfs/dbraw/zinc/20/02/26/507200226.db2.gz WLSQEQKJNPZKQU-RTWAWAEBSA-N 1 1 360.461 3.111 20 30 FGEDMO CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC000600977375 507212637 /nfs/dbraw/zinc/21/26/37/507212637.db2.gz FVXMKBNCKYZJJN-FQEVSTJZSA-N 1 1 369.509 3.188 20 30 FGEDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 ZINC000600977375 507212644 /nfs/dbraw/zinc/21/26/44/507212644.db2.gz FVXMKBNCKYZJJN-FQEVSTJZSA-N 1 1 369.509 3.188 20 30 FGEDMO CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584234748 507228918 /nfs/dbraw/zinc/22/89/18/507228918.db2.gz RKUXEEMVZYFRQM-LJQANCHMSA-N 1 1 350.422 3.173 20 30 FGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000601033119 507236085 /nfs/dbraw/zinc/23/60/85/507236085.db2.gz RIMYSXXRGSFDCT-UHFFFAOYSA-N 1 1 351.494 3.441 20 30 FGEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591409972 507239611 /nfs/dbraw/zinc/23/96/11/507239611.db2.gz FNIJJRDWQAWLLX-UYAOXDASSA-N 1 1 354.498 3.451 20 30 FGEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C3(C#N)CC4(CC4)C3)c2)C[C@@H](C)O1 ZINC000601204081 507295074 /nfs/dbraw/zinc/29/50/74/507295074.db2.gz UBIWUUCCYMHKHM-HZPDHXFCSA-N 1 1 353.466 3.318 20 30 FGEDMO COC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000610615598 507318857 /nfs/dbraw/zinc/31/88/57/507318857.db2.gz VRLWPBSUTJTDJT-GOSISDBHSA-N 1 1 366.465 3.015 20 30 FGEDMO COC[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000610615598 507318865 /nfs/dbraw/zinc/31/88/65/507318865.db2.gz VRLWPBSUTJTDJT-GOSISDBHSA-N 1 1 366.465 3.015 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)C1CC1 ZINC000614016871 507335401 /nfs/dbraw/zinc/33/54/01/507335401.db2.gz YDTAHNKTVJPUNQ-TZIWHRDSSA-N 1 1 354.498 3.232 20 30 FGEDMO C[C@]1(c2ccccc2)CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610676948 507342768 /nfs/dbraw/zinc/34/27/68/507342768.db2.gz HIMSFIFLPWSDLB-IRLDBZIGSA-N 1 1 350.462 3.156 20 30 FGEDMO COC(=O)c1ccc(COc2ccc(C[NH2+]CC(C)(C)C#N)cc2OC)o1 ZINC000614247616 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Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1C#N ZINC000592134707 507499126 /nfs/dbraw/zinc/49/91/26/507499126.db2.gz AQAYCJOKCGWTCQ-FXAWDEMLSA-N 1 1 350.466 3.443 20 30 FGEDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc3ccccc3n2CC#N)c1 ZINC000611058921 507499474 /nfs/dbraw/zinc/49/94/74/507499474.db2.gz NIXZFJOTFXSYCZ-UHFFFAOYSA-N 1 1 356.389 3.306 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598609086 507516203 /nfs/dbraw/zinc/51/62/03/507516203.db2.gz QDEYKCKDCCDSHF-QZWWFDLISA-N 1 1 350.503 3.262 20 30 FGEDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598616710 507519744 /nfs/dbraw/zinc/51/97/44/507519744.db2.gz FOOSMIDHRNXOHL-ZFWWWQNUSA-N 1 1 353.869 3.290 20 30 FGEDMO COC(=O)c1cccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1C#N ZINC000611126773 507527013 /nfs/dbraw/zinc/52/70/13/507527013.db2.gz UFJLPUKBVHMBLY-UHFFFAOYSA-N 1 1 362.429 3.366 20 30 FGEDMO C[C@]1(CNC(=O)N2CCC[C@@](C)(C#N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000614493383 507541292 /nfs/dbraw/zinc/54/12/92/507541292.db2.gz ACHYOHXZXMFAKY-LEWJYISDSA-N 1 1 354.498 3.376 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595532764 507547047 /nfs/dbraw/zinc/54/70/47/507547047.db2.gz AVFCQNGVGHDEGF-OAHLLOKOSA-N 1 1 373.522 3.399 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1N(C)C ZINC000611191204 507555673 /nfs/dbraw/zinc/55/56/73/507555673.db2.gz JLQLOIHQIDDLAL-WMLDXEAASA-N 1 1 374.554 3.099 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1N(C)C ZINC000611191204 507555681 /nfs/dbraw/zinc/55/56/81/507555681.db2.gz JLQLOIHQIDDLAL-WMLDXEAASA-N 1 1 374.554 3.099 20 30 FGEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598718439 507566691 /nfs/dbraw/zinc/56/66/91/507566691.db2.gz FFMJHWSUHKOYTM-IBGZPJMESA-N 1 1 355.482 3.302 20 30 FGEDMO N#Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1Cl ZINC000595603608 507586905 /nfs/dbraw/zinc/58/69/05/507586905.db2.gz ZLFJJVHQFNMMEI-INIZCTEOSA-N 1 1 360.889 3.418 20 30 FGEDMO N#CC[C@H]1CCC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000595616569 507593448 /nfs/dbraw/zinc/59/34/48/507593448.db2.gz RWFNZARIKCHTDL-QGZVFWFLSA-N 1 1 362.477 3.409 20 30 FGEDMO N#CC[C@H]1CCC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000595616569 507593453 /nfs/dbraw/zinc/59/34/53/507593453.db2.gz RWFNZARIKCHTDL-QGZVFWFLSA-N 1 1 362.477 3.409 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1CCO)CCC2 ZINC000585754376 507616678 /nfs/dbraw/zinc/61/66/78/507616678.db2.gz KTIRUHFGKRAHTG-CQSZACIVSA-N 1 1 361.511 3.064 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)NCCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000595685902 507627958 /nfs/dbraw/zinc/62/79/58/507627958.db2.gz KDEJMZOGYGAAIY-LAUBAEHRSA-N 1 1 362.477 3.063 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1Cl ZINC000611351027 507636288 /nfs/dbraw/zinc/63/62/88/507636288.db2.gz YOXWATRALDUTRA-CABCVRRESA-N 1 1 361.873 3.289 20 30 FGEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000586119859 507650389 /nfs/dbraw/zinc/65/03/89/507650389.db2.gz BRJBAHKAVWPVCK-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO N#CC1(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000611431530 507679802 /nfs/dbraw/zinc/67/98/02/507679802.db2.gz BPPRXAWXIKFTFL-UHFFFAOYSA-N 1 1 362.271 3.403 20 30 FGEDMO C[N@@H+]1CC=C(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC000611430692 507680216 /nfs/dbraw/zinc/68/02/16/507680216.db2.gz CQAFDXHTWVOSAN-UHFFFAOYSA-N 1 1 363.421 3.129 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000611475794 507698837 /nfs/dbraw/zinc/69/88/37/507698837.db2.gz NDEHCEVIIFVMEX-FCHUYYIVSA-N 1 1 374.488 3.497 20 30 FGEDMO COc1c(C)c[nH+]c(CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1C ZINC000611551068 507733672 /nfs/dbraw/zinc/73/36/72/507733672.db2.gz HIDKSFSAPGILPQ-HXUWFJFHSA-N 1 1 368.456 3.229 20 30 FGEDMO C=CC[NH+]1CCC(NCc2ccc(I)s2)CC1 ZINC000602541104 507742374 /nfs/dbraw/zinc/74/23/74/507742374.db2.gz SKMRNDGJAOUJBD-UHFFFAOYSA-N 1 1 362.280 3.093 20 30 FGEDMO COc1cc(C[NH2+]Cc2cccc(C#N)n2)cc(Br)c1OC ZINC000602543980 507743937 /nfs/dbraw/zinc/74/39/37/507743937.db2.gz NRYVRSYRLGNTFL-UHFFFAOYSA-N 1 1 362.227 3.023 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC000595920326 507745447 /nfs/dbraw/zinc/74/54/47/507745447.db2.gz OGTLYQFOCIANPY-ZDUSSCGKSA-N 1 1 359.426 3.320 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC000595920326 507745451 /nfs/dbraw/zinc/74/54/51/507745451.db2.gz OGTLYQFOCIANPY-ZDUSSCGKSA-N 1 1 359.426 3.320 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(N3C[C@@H]([NH+]4CCOCC4)C[C@H]3C)c2c1 ZINC000588070248 507751587 /nfs/dbraw/zinc/75/15/87/507751587.db2.gz WJDLPGSMTVAVAM-ZBFHGGJFSA-N 1 1 370.884 3.368 20 30 FGEDMO NC(=O)Cn1cc(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cn1 ZINC000328606047 526831307 /nfs/dbraw/zinc/83/13/07/526831307.db2.gz QECAXJBIJNEDDA-OXQOHEQNSA-N 1 1 367.453 3.309 20 30 FGEDMO C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000736196558 599308859 /nfs/dbraw/zinc/30/88/59/599308859.db2.gz JPMXAZKGIYEZFP-MRXNPFEDSA-N 1 1 373.464 3.012 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)[O-])cc1 ZINC000739106387 600597144 /nfs/dbraw/zinc/59/71/44/600597144.db2.gz LZTJHKMELIVOMI-FPOVZHCZSA-N 1 1 363.461 3.186 20 30 FGEDMO C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736722803 600598886 /nfs/dbraw/zinc/59/88/86/600598886.db2.gz DUPNGASCEWHUCR-IERDGZPVSA-N 1 1 363.461 3.499 20 30 FGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1 ZINC000819739779 606112812 /nfs/dbraw/zinc/11/28/12/606112812.db2.gz HGVXXPPGKDYVTM-UHFFFAOYSA-N 1 1 362.503 3.162 20 30 FGEDMO C=CC[N@@H+](Cc1c(C)nc2ccccn21)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745682 607059533 /nfs/dbraw/zinc/05/95/33/607059533.db2.gz PEKCUBSAOXNSAY-UHFFFAOYSA-N 1 1 359.437 3.011 20 30 FGEDMO C=CC[N@H+](Cc1c(C)nc2ccccn21)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819745682 607059535 /nfs/dbraw/zinc/05/95/35/607059535.db2.gz PEKCUBSAOXNSAY-UHFFFAOYSA-N 1 1 359.437 3.011 20 30 FGEDMO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(F)ccc1C#N ZINC000820120838 607060236 /nfs/dbraw/zinc/06/02/36/607060236.db2.gz LCZVMULQGVRPOW-UHFFFAOYSA-N 1 1 350.401 3.288 20 30 FGEDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(F)ccc1C#N ZINC000820120838 607060238 /nfs/dbraw/zinc/06/02/38/607060238.db2.gz LCZVMULQGVRPOW-UHFFFAOYSA-N 1 1 350.401 3.288 20 30 FGEDMO C=CC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)s1 ZINC000120897852 700661976 /nfs/dbraw/zinc/66/19/76/700661976.db2.gz LCFVFNPERAFDFL-UHFFFAOYSA-N 1 1 370.927 3.280 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000127521925 700762661 /nfs/dbraw/zinc/76/26/61/700762661.db2.gz WSGGINYJSFJKQW-SFHVURJKSA-N 1 1 357.251 3.412 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3c(Br)cccc3C2)cc1 ZINC000127521925 700762662 /nfs/dbraw/zinc/76/26/62/700762662.db2.gz WSGGINYJSFJKQW-SFHVURJKSA-N 1 1 357.251 3.412 20 30 FGEDMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccc(Cl)nc1 ZINC000131564417 700816920 /nfs/dbraw/zinc/81/69/20/700816920.db2.gz PLDVGHSTGDZLSU-LLVKDONJSA-N 1 1 356.854 3.027 20 30 FGEDMO C#CCCCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000156628931 705125719 /nfs/dbraw/zinc/12/57/19/705125719.db2.gz ATXFZMJIBLGXQT-GOSISDBHSA-N 1 1 352.400 3.361 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1cccc(N(C)C)n1 ZINC000179031279 705685513 /nfs/dbraw/zinc/68/55/13/705685513.db2.gz JHPDTZBFOFJUGT-UHFFFAOYSA-N 1 1 374.282 3.212 20 30 FGEDMO CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000329273553 713828616 /nfs/dbraw/zinc/82/86/16/713828616.db2.gz IYWYKZBJVGOIKF-AWEZNQCLSA-N 1 1 361.511 3.472 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000329399231 713829327 /nfs/dbraw/zinc/82/93/27/713829327.db2.gz YJJVDAFCLHCIIF-IAGOWNOFSA-N 1 1 361.511 3.033 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626039755 715833670 /nfs/dbraw/zinc/83/36/70/715833670.db2.gz NIRDOMWNUWKIHR-IPYPFGDCSA-N 1 1 351.288 3.318 20 30 FGEDMO C[C@H]1C[NH+]=C(NN=Cc2ccc(-c3ccc(Br)cc3)s2)N1 ZINC000779795558 724427362 /nfs/dbraw/zinc/42/73/62/724427362.db2.gz VZRCBGDENODXBX-JTQLQIEISA-N 1 1 363.284 3.449 20 30 FGEDMO Fc1cccc(OC(F)(F)F)c1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000631211433 716587370 /nfs/dbraw/zinc/58/73/70/716587370.db2.gz ULFRTEUNHLXZHT-NSHDSACASA-N 1 1 372.244 3.209 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)C1=O ZINC000799117305 723988979 /nfs/dbraw/zinc/98/89/79/723988979.db2.gz VOVGZWYKTWWYQE-IAGOWNOFSA-N 1 1 363.299 3.243 20 30 FGEDMO CC#CC[C@H](CO)Nc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000645403231 718208091 /nfs/dbraw/zinc/20/80/91/718208091.db2.gz KCEIVMZRRPLWSS-OAHLLOKOSA-N 1 1 358.511 3.090 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646920812 718321953 /nfs/dbraw/zinc/32/19/53/718321953.db2.gz VKDAABHGSULFBT-IUODEOHRSA-N 1 1 354.372 3.046 20 30 FGEDMO Cc1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C=NO)c1 ZINC001164628779 719091203 /nfs/dbraw/zinc/09/12/03/719091203.db2.gz NVSGDDKMXCMXEK-QUCCMNQESA-N 1 1 350.466 3.299 20 30 FGEDMO Cc1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C=NO)c1 ZINC001164628777 719091349 /nfs/dbraw/zinc/09/13/49/719091349.db2.gz NVSGDDKMXCMXEK-AZUAARDMSA-N 1 1 350.466 3.299 20 30 FGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cnc(C#N)c(C)n2)CC3)cs1 ZINC001164693486 719812689 /nfs/dbraw/zinc/81/26/89/719812689.db2.gz VJMBCXQHPWEZFZ-UHFFFAOYSA-N 1 1 368.510 3.057 20 30 FGEDMO N#Cc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc2ccccc12 ZINC001164732497 720436052 /nfs/dbraw/zinc/43/60/52/720436052.db2.gz NUSHVOYBCVYNNK-NHCUHLMSSA-N 1 1 355.445 3.355 20 30 FGEDMO C=C(C)Cn1c(CC2CC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000670232673 721527430 /nfs/dbraw/zinc/52/74/30/721527430.db2.gz YHLJQGSRMKZPMG-UHFFFAOYSA-N 1 1 357.527 3.190 20 30 FGEDMO C=CC[NH+]1CCN(c2nc(C)c(Cc3ccc(OC)cc3)c(C)n2)CC1 ZINC001165033980 721872920 /nfs/dbraw/zinc/87/29/20/721872920.db2.gz ANMTUIWVOXISRY-UHFFFAOYSA-N 1 1 352.482 3.001 20 30 FGEDMO C=C(C)[C@H](CO)[NH+]1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000678049532 721935438 /nfs/dbraw/zinc/93/54/38/721935438.db2.gz LHCSTVZMXHVERN-MSOLQXFVSA-N 1 1 367.331 3.455 20 30 FGEDMO C[C@@]1(C#N)CCC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000784015940 724812669 /nfs/dbraw/zinc/81/26/69/724812669.db2.gz ZFOGPSXNHIDPEL-KRWDZBQOSA-N 1 1 360.255 3.347 20 30 FGEDMO N#Cc1cc2c(nc1N1CC[NH+](CCOc3ccccc3)CC1)CCCC2 ZINC000301101415 721959709 /nfs/dbraw/zinc/95/97/09/721959709.db2.gz RDZLCDTXRXWBLP-UHFFFAOYSA-N 1 1 362.477 3.033 20 30 FGEDMO C=CCOC[C@H]1CCC[C@@]12CN(c1ccc(C[N@H+](C)C3CC3)cn1)CCO2 ZINC001164981013 722169509 /nfs/dbraw/zinc/16/95/09/722169509.db2.gz ZWEUQWLILLEGJJ-DENIHFKCSA-N 1 1 371.525 3.254 20 30 FGEDMO N#Cc1cc(F)cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995717 722195138 /nfs/dbraw/zinc/19/51/38/722195138.db2.gz XEXNDMQHASUKCJ-HXUWFJFHSA-N 1 1 354.404 3.476 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000729809268 722462666 /nfs/dbraw/zinc/46/26/66/722462666.db2.gz KAUXVFCJHVIOCL-INIZCTEOSA-N 1 1 362.267 3.122 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000738150160 722528893 /nfs/dbraw/zinc/52/88/93/722528893.db2.gz ZOVVZVOSABJEFO-HNNXBMFYSA-N 1 1 359.495 3.357 20 30 FGEDMO Cc1nc(Cl)cc(N=NC(C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000741766552 722548907 /nfs/dbraw/zinc/54/89/07/722548907.db2.gz MUADSINMJFZOEL-INIZCTEOSA-N 1 1 359.861 3.127 20 30 FGEDMO Cc1nc(Cl)cc(N=NC(C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000741766552 722548908 /nfs/dbraw/zinc/54/89/08/722548908.db2.gz MUADSINMJFZOEL-INIZCTEOSA-N 1 1 359.861 3.127 20 30 FGEDMO C=CCNC(=S)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000743062384 722563672 /nfs/dbraw/zinc/56/36/72/722563672.db2.gz MVARLLBICTYSEG-INIZCTEOSA-N 1 1 371.472 3.433 20 30 FGEDMO C=C(C)CNC(=S)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000747721027 722658201 /nfs/dbraw/zinc/65/82/01/722658201.db2.gz JZTFDXWBHYQVCV-LPHOPBHVSA-N 1 1 360.571 3.373 20 30 FGEDMO C=C(C)CNC(=S)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000747721027 722658204 /nfs/dbraw/zinc/65/82/04/722658204.db2.gz JZTFDXWBHYQVCV-LPHOPBHVSA-N 1 1 360.571 3.373 20 30 FGEDMO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000754703397 722944702 /nfs/dbraw/zinc/94/47/02/722944702.db2.gz PTJQGRPVNCUXHD-ZDUSSCGKSA-N 1 1 350.447 3.135 20 30 FGEDMO Cc1sc([C@@H](C)[NH2+]CC(=O)NCCC#N)nc1-c1ccc(Cl)cc1 ZINC000754952476 722948158 /nfs/dbraw/zinc/94/81/58/722948158.db2.gz RXSGPLXHJCYVEK-LLVKDONJSA-N 1 1 362.886 3.452 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000755790416 722956994 /nfs/dbraw/zinc/95/69/94/722956994.db2.gz OBQCJRQXVWPSPZ-OAHLLOKOSA-N 1 1 353.495 3.495 20 30 FGEDMO N#CCCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000759772964 723020337 /nfs/dbraw/zinc/02/03/37/723020337.db2.gz BSHHQNUBGHHCAK-SFHVURJKSA-N 1 1 372.266 3.158 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)c2ccccc2SCC#N)[C@H]1c1ccccc1 ZINC000759948204 723030375 /nfs/dbraw/zinc/03/03/75/723030375.db2.gz OQGRJESSVBVAFW-PKOBYXMFSA-N 1 1 351.475 3.477 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000761112298 723123354 /nfs/dbraw/zinc/12/33/54/723123354.db2.gz HQIXTVOVZBMOFR-OAHLLOKOSA-N 1 1 364.873 3.260 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000790659174 723165091 /nfs/dbraw/zinc/16/50/91/723165091.db2.gz GSOFOMHMTXSHRK-YOEHRIQHSA-N 1 1 352.400 3.388 20 30 FGEDMO C#C[C@@H](CCC)NC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000791024195 723206115 /nfs/dbraw/zinc/20/61/15/723206115.db2.gz LHUQOAUTYGXSGE-INIZCTEOSA-N 1 1 362.543 3.019 20 30 FGEDMO C[NH+](C)Cc1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1Cl ZINC000794222462 723500279 /nfs/dbraw/zinc/50/02/79/723500279.db2.gz NBTKOVJQGMDNTB-UHFFFAOYSA-N 1 1 356.809 3.121 20 30 FGEDMO C[C@@H]1CCSCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000794570022 723532000 /nfs/dbraw/zinc/53/20/00/723532000.db2.gz COFMARPZUDPRJM-UKRRQHHQSA-N 1 1 352.463 3.051 20 30 FGEDMO C=CCCC[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795427757 723590493 /nfs/dbraw/zinc/59/04/93/723590493.db2.gz MEOHPHYEOIPZAZ-UHFFFAOYSA-N 1 1 368.231 3.169 20 30 FGEDMO C=CCCC[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795427757 723590494 /nfs/dbraw/zinc/59/04/94/723590494.db2.gz MEOHPHYEOIPZAZ-UHFFFAOYSA-N 1 1 368.231 3.169 20 30 FGEDMO C=C(Br)C[NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775355473 723985106 /nfs/dbraw/zinc/98/51/06/723985106.db2.gz MKYZPQJRDMIXCD-LBPRGKRZSA-N 1 1 357.267 3.346 20 30 FGEDMO CC(C)(C#N)c1ccc(C[NH+]2CCN(C3=NCC(C)(C)S3)CC2)cc1 ZINC000775631288 724013214 /nfs/dbraw/zinc/01/32/14/724013214.db2.gz HQIJMXGUVCNKRS-UHFFFAOYSA-N 1 1 356.539 3.487 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@@H]1CCCO1 ZINC000775799026 724062798 /nfs/dbraw/zinc/06/27/98/724062798.db2.gz MQJNMVDATFYJRH-OCCSQVGLSA-N 1 1 360.198 3.321 20 30 FGEDMO C#C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000775799841 724063691 /nfs/dbraw/zinc/06/36/91/724063691.db2.gz NAAGWYPAHWYMPK-ONERCXAPSA-N 1 1 374.790 3.456 20 30 FGEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNC(=S)Nc1cccnc1 ZINC000776179076 724116225 /nfs/dbraw/zinc/11/62/25/724116225.db2.gz KVGBUDBYDHDNAN-OAHLLOKOSA-N 1 1 353.495 3.266 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC(=S)Nc1cccnc1 ZINC000776179076 724116228 /nfs/dbraw/zinc/11/62/28/724116228.db2.gz KVGBUDBYDHDNAN-OAHLLOKOSA-N 1 1 353.495 3.266 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784485373 724857509 /nfs/dbraw/zinc/85/75/09/724857509.db2.gz HYQLEIYPGVKRGL-HNNXBMFYSA-N 1 1 353.388 3.257 20 30 FGEDMO C#CC[N@H+](CCC[C@@H](C)O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000789321980 725122238 /nfs/dbraw/zinc/12/22/38/725122238.db2.gz CJGJVCUABXGYJB-CZUORRHYSA-N 1 1 352.272 3.369 20 30 FGEDMO C#C[C@@H](NC(=O)NCC[NH+]1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000811869827 725383551 /nfs/dbraw/zinc/38/35/51/725383551.db2.gz ZHGLBSMWTLYTSU-LJQANCHMSA-N 1 1 353.853 3.329 20 30 FGEDMO C#CC[N@@H+](CCOCCC#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000815047127 727025707 /nfs/dbraw/zinc/02/57/07/727025707.db2.gz BLCSGHDAUFPVHV-MRXNPFEDSA-N 1 1 363.255 3.138 20 30 FGEDMO C#CC[N@H+](CCOCCC#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000815047127 727025710 /nfs/dbraw/zinc/02/57/10/727025710.db2.gz BLCSGHDAUFPVHV-MRXNPFEDSA-N 1 1 363.255 3.138 20 30 FGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@H](CO)c1ccccc1I ZINC000898511496 742803172 /nfs/dbraw/zinc/80/31/72/742803172.db2.gz CMKQOFUXSJUXKQ-BXUZGUMPSA-N 1 1 372.250 3.243 20 30 FGEDMO C#CC[N@H+](C)CCCN[C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000815651971 727088854 /nfs/dbraw/zinc/08/88/54/727088854.db2.gz KQLQNXGHGTWEHY-QZTJIDSGSA-N 1 1 365.315 3.214 20 30 FGEDMO C#CC[N@@H+](C)CCCN[C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000815651971 727088858 /nfs/dbraw/zinc/08/88/58/727088858.db2.gz KQLQNXGHGTWEHY-QZTJIDSGSA-N 1 1 365.315 3.214 20 30 FGEDMO C#CC[N@H+](C)CCCN[C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000815651970 727089024 /nfs/dbraw/zinc/08/90/24/727089024.db2.gz KQLQNXGHGTWEHY-MSOLQXFVSA-N 1 1 365.315 3.214 20 30 FGEDMO C#CC[N@@H+](C)CCCN[C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000815651970 727089029 /nfs/dbraw/zinc/08/90/29/727089029.db2.gz KQLQNXGHGTWEHY-MSOLQXFVSA-N 1 1 365.315 3.214 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000818595619 727315660 /nfs/dbraw/zinc/31/56/60/727315660.db2.gz FFNWLLYGFLEQFL-MRXNPFEDSA-N 1 1 354.416 3.345 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000818595567 727315680 /nfs/dbraw/zinc/31/56/80/727315680.db2.gz ATXGTMVIKFTDMS-ZDUSSCGKSA-N 1 1 369.278 3.153 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[NH+](C3CC3)CC2)s1 ZINC000819184639 727355829 /nfs/dbraw/zinc/35/58/29/727355829.db2.gz PMKWDIULLBCJBQ-UHFFFAOYSA-N 1 1 371.959 3.145 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@H](C)[N@@H+](C)C2CC2)s1 ZINC000819234227 727360416 /nfs/dbraw/zinc/36/04/16/727360416.db2.gz FBWYFGFILWRQGC-NSHDSACASA-N 1 1 373.975 3.438 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)C2(C#N)CCSCC2)CCC1 ZINC000821406610 729084227 /nfs/dbraw/zinc/08/42/27/729084227.db2.gz ACBGQDCRYRXIPL-UHFFFAOYSA-N 1 1 357.523 3.194 20 30 FGEDMO C#CCCC[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000823492432 729285277 /nfs/dbraw/zinc/28/52/77/729285277.db2.gz NOXHRFJBDLEVIV-JKSUJKDBSA-N 1 1 350.256 3.051 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C#Cc3cccs3)c2)C[C@H](C)O1 ZINC000826101184 729405292 /nfs/dbraw/zinc/40/52/92/729405292.db2.gz PGUIUSZKTGSFES-IYBDPMFKSA-N 1 1 354.475 3.348 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C#Cc3cccs3)c2)C[C@H](C)O1 ZINC000826101184 729405293 /nfs/dbraw/zinc/40/52/93/729405293.db2.gz PGUIUSZKTGSFES-IYBDPMFKSA-N 1 1 354.475 3.348 20 30 FGEDMO CC(C)(C)OC(=O)NC(C)(C)C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000826894695 729418177 /nfs/dbraw/zinc/41/81/77/729418177.db2.gz UFVXRVHWVCFASA-UHFFFAOYSA-N 1 1 364.515 3.045 20 30 FGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831243714 729627828 /nfs/dbraw/zinc/62/78/28/729627828.db2.gz UVDOZZNNIYLFET-UHFFFAOYSA-N 1 1 351.491 3.074 20 30 FGEDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000832278613 729701889 /nfs/dbraw/zinc/70/18/89/729701889.db2.gz TUONJAZNJRSPJY-HNNXBMFYSA-N 1 1 355.404 3.143 20 30 FGEDMO CN(C)c1nc(C=[NH+]N[C@H]2CCOC2(C)C)c(Cl)n1-c1ccccc1 ZINC000835013725 729849815 /nfs/dbraw/zinc/84/98/15/729849815.db2.gz HECWMPDJPFRPOS-HNNXBMFYSA-N 1 1 361.877 3.083 20 30 FGEDMO C=C(C)COCC[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835044148 729852804 /nfs/dbraw/zinc/85/28/04/729852804.db2.gz XEFBHHYFPLJHMD-UHFFFAOYSA-N 1 1 367.515 3.119 20 30 FGEDMO Cn1cc(-c2ccc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)s2)cn1 ZINC000846006651 730917665 /nfs/dbraw/zinc/91/76/65/730917665.db2.gz KGVJMINMNZANQL-GOSISDBHSA-N 1 1 352.463 3.186 20 30 FGEDMO C#C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccc(Br)cc1 ZINC000846229507 730938025 /nfs/dbraw/zinc/93/80/25/730938025.db2.gz CHXSMLMLBKMSOW-RHSMWYFYSA-N 1 1 372.266 3.007 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ncc(Br)cn1 ZINC000848420760 731162748 /nfs/dbraw/zinc/16/27/48/731162748.db2.gz KEXINXKHJGZQDO-GFCCVEGCSA-N 1 1 360.259 3.159 20 30 FGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccnc(OCC(F)(F)F)c2)no1 ZINC000848625809 731189130 /nfs/dbraw/zinc/18/91/30/731189130.db2.gz YIYWSBYXJNJHEI-LLVKDONJSA-N 1 1 355.320 3.156 20 30 FGEDMO C[C@H]1CO[C@@H](COC(=O)c2cc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000851413707 731457216 /nfs/dbraw/zinc/45/72/16/731457216.db2.gz UXEJIRIZANFWNB-WMLDXEAASA-N 1 1 356.447 3.066 20 30 FGEDMO C[C@H]1CO[C@@H](COC(=O)c2cc(C#N)cs2)C[N@H+]1Cc1ccccc1 ZINC000851413707 731457217 /nfs/dbraw/zinc/45/72/17/731457217.db2.gz UXEJIRIZANFWNB-WMLDXEAASA-N 1 1 356.447 3.066 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccc(Cl)cc1F ZINC000858448883 732216100 /nfs/dbraw/zinc/21/61/00/732216100.db2.gz SZWRAWVSYLVYRJ-CXAGYDPISA-N 1 1 351.853 3.185 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000860054892 732442646 /nfs/dbraw/zinc/44/26/46/732442646.db2.gz WTIJFMCUNUXSLA-KGLIPLIRSA-N 1 1 358.467 3.138 20 30 FGEDMO COC[C@H](C)NN=C1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863105321 732915015 /nfs/dbraw/zinc/91/50/15/732915015.db2.gz MQIXSVUZFNVLDX-BLLLJJGKSA-N 1 1 354.292 3.196 20 30 FGEDMO COC[C@H](C)NN=C1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863105321 732915016 /nfs/dbraw/zinc/91/50/16/732915016.db2.gz MQIXSVUZFNVLDX-BLLLJJGKSA-N 1 1 354.292 3.196 20 30 FGEDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3sccc3CC#N)cc2)CC1 ZINC000864913630 733113593 /nfs/dbraw/zinc/11/35/93/733113593.db2.gz NTCXCHWLMCSBPZ-UHFFFAOYSA-N 1 1 354.479 3.208 20 30 FGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000876552705 736113141 /nfs/dbraw/zinc/11/31/41/736113141.db2.gz AWPKZQHQKDSVLN-AWEZNQCLSA-N 1 1 352.829 3.029 20 30 FGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000876552705 736113144 /nfs/dbraw/zinc/11/31/44/736113144.db2.gz AWPKZQHQKDSVLN-AWEZNQCLSA-N 1 1 352.829 3.029 20 30 FGEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000876972941 736169434 /nfs/dbraw/zinc/16/94/34/736169434.db2.gz SRSZCCRSQJMVRQ-LBPRGKRZSA-N 1 1 356.813 3.414 20 30 FGEDMO COc1cc(Cl)c(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1OC ZINC000877609013 736692508 /nfs/dbraw/zinc/69/25/08/736692508.db2.gz CONFOQRDWIVHRJ-KRWDZBQOSA-N 1 1 360.841 3.394 20 30 FGEDMO COc1cc(Cl)c(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1OC ZINC000877609013 736692513 /nfs/dbraw/zinc/69/25/13/736692513.db2.gz CONFOQRDWIVHRJ-KRWDZBQOSA-N 1 1 360.841 3.394 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c(-c2ccncc2)n1 ZINC000877740515 736712161 /nfs/dbraw/zinc/71/21/61/736712161.db2.gz VWFYGGBFUHTGAG-SJLPKXTDSA-N 1 1 353.495 3.044 20 30 FGEDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC[C@H]21 ZINC000878820022 736922186 /nfs/dbraw/zinc/92/21/86/736922186.db2.gz JTNVGCBHRHULLS-IUODEOHRSA-N 1 1 352.360 3.135 20 30 FGEDMO Cc1csc([C@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC000880011311 737099729 /nfs/dbraw/zinc/09/97/29/737099729.db2.gz NRULYAPDILUSDP-HNNXBMFYSA-N 1 1 351.435 3.363 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880145658 737127237 /nfs/dbraw/zinc/12/72/37/737127237.db2.gz HJCKUXUXQQBDOJ-LSDHHAIUSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880145658 737127240 /nfs/dbraw/zinc/12/72/40/737127240.db2.gz HJCKUXUXQQBDOJ-LSDHHAIUSA-N 1 1 361.511 3.112 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000892568350 740018057 /nfs/dbraw/zinc/01/80/57/740018057.db2.gz YVBXPNWYINRJIT-GXTWGEPZSA-N 1 1 352.460 3.077 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnc(CC(F)(F)F)s3)C2)nc1 ZINC000894585629 742301491 /nfs/dbraw/zinc/30/14/91/742301491.db2.gz NLRYAKFDORDTJM-GFCCVEGCSA-N 1 1 368.384 3.168 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnc(CC(F)(F)F)s3)C2)nc1 ZINC000894585629 742301497 /nfs/dbraw/zinc/30/14/97/742301497.db2.gz NLRYAKFDORDTJM-GFCCVEGCSA-N 1 1 368.384 3.168 20 30 FGEDMO N#Cc1cc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000895152020 742382227 /nfs/dbraw/zinc/38/22/27/742382227.db2.gz KXONCBSSPNXXKY-PMACEKPBSA-N 1 1 353.491 3.095 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C3OCCO3)C2)cc1OC ZINC000896378155 742541822 /nfs/dbraw/zinc/54/18/22/742541822.db2.gz ORCIDDCKHKCIKX-CQSZACIVSA-N 1 1 353.846 3.108 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C3OCCO3)C2)cc1OC ZINC000896378154 742541936 /nfs/dbraw/zinc/54/19/36/742541936.db2.gz ORCIDDCKHKCIKX-AWEZNQCLSA-N 1 1 353.846 3.108 20 30 FGEDMO N#Cc1sccc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000906437828 744132111 /nfs/dbraw/zinc/13/21/11/744132111.db2.gz WJZPEUFBNCVXQK-UHFFFAOYSA-N 1 1 351.475 3.283 20 30 FGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)C(C)(C)C1 ZINC000941080719 762175016 /nfs/dbraw/zinc/17/50/16/762175016.db2.gz BJBZQXISASYSRU-BBWFWOEESA-N 1 1 354.922 3.327 20 30 FGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCO[C@H]2C(=C)C)C(C)(C)C1 ZINC000941080719 762175024 /nfs/dbraw/zinc/17/50/24/762175024.db2.gz BJBZQXISASYSRU-BBWFWOEESA-N 1 1 354.922 3.327 20 30 FGEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)CC[C@@H]2C1 ZINC000946631756 762258128 /nfs/dbraw/zinc/25/81/28/762258128.db2.gz XZNAMELGMRETOJ-YYIAUSFCSA-N 1 1 356.432 3.159 20 30 FGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccnc3)CC[C@@H]2C1 ZINC000946792056 762261135 /nfs/dbraw/zinc/26/11/35/762261135.db2.gz CSYWOEYDEZEEFC-ZSYWTGECSA-N 1 1 359.901 3.108 20 30 FGEDMO COC[C@H](C)NC(=S)N[NH+]=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000916282160 758063449 /nfs/dbraw/zinc/06/34/49/758063449.db2.gz ZYNISFIVPWPSKO-HNNXBMFYSA-N 1 1 362.543 3.290 20 30 FGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)C1 ZINC000957102663 762621236 /nfs/dbraw/zinc/62/12/36/762621236.db2.gz XIGZUJNKHQMNEM-LSDHHAIUSA-N 1 1 352.400 3.316 20 30 FGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC000931616245 760912438 /nfs/dbraw/zinc/91/24/38/760912438.db2.gz PUIKEQZDHVNEGD-XJKSGUPXSA-N 1 1 354.372 3.038 20 30 FGEDMO C[C@](O)(C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1)C(F)(F)C(F)(F)F ZINC000931909532 761000407 /nfs/dbraw/zinc/00/04/07/761000407.db2.gz JAHHWQZFLVMPAX-YUMQZZPRSA-N 1 1 359.232 3.301 20 30 FGEDMO N#CCSCCC[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000932808842 761249620 /nfs/dbraw/zinc/24/96/20/761249620.db2.gz GZPOTOLODQAOTN-MRXNPFEDSA-N 1 1 369.328 3.379 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)C2(C#N)CCSCC2)[C@@H]1c1cccs1 ZINC000933456321 761394903 /nfs/dbraw/zinc/39/49/03/761394903.db2.gz JWKWBOZXGUUGMR-GDBMZVCRSA-N 1 1 363.552 3.284 20 30 FGEDMO O=C1C=COC2(CC[NH+](CCOc3ccccc3Br)CC2)C1 ZINC000933648940 761445886 /nfs/dbraw/zinc/44/58/86/761445886.db2.gz INCKQIBNBGDQTE-UHFFFAOYSA-N 1 1 366.255 3.166 20 30 FGEDMO Cn1cc([C@H]2CSCCC[N@H+]2CCCOc2cccc(C#N)c2)cn1 ZINC000933979855 761513781 /nfs/dbraw/zinc/51/37/81/761513781.db2.gz BIDOVMHACFTYAI-LJQANCHMSA-N 1 1 356.495 3.241 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC(=C)Cl)C2)CC1 ZINC000961410800 762748334 /nfs/dbraw/zinc/74/83/34/762748334.db2.gz JBVWWALJCHQGEO-QRVBRYPASA-N 1 1 366.933 3.281 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](C/C=C\Cl)C2)CC1 ZINC000961409362 762748389 /nfs/dbraw/zinc/74/83/89/762748389.db2.gz CIJUSHMRTQEWOI-YZOCCCIJSA-N 1 1 366.933 3.281 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCC(F)(F)F ZINC000969064330 762853222 /nfs/dbraw/zinc/85/32/22/762853222.db2.gz DXNOUDYRSWSPDN-JYJNAYRXSA-N 1 1 362.436 3.281 20 30 FGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000971710917 762922225 /nfs/dbraw/zinc/92/22/25/762922225.db2.gz XCRCOXFPCZPONX-OTWHNJEPSA-N 1 1 362.901 3.440 20 30 FGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000971710917 762922229 /nfs/dbraw/zinc/92/22/29/762922229.db2.gz XCRCOXFPCZPONX-OTWHNJEPSA-N 1 1 362.901 3.440 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000972402862 762964260 /nfs/dbraw/zinc/96/42/60/762964260.db2.gz ZVZNXDZGXHNRBF-IAOVAPTHSA-N 1 1 355.463 3.049 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2Cl)CC1(C)C ZINC000975055451 763086035 /nfs/dbraw/zinc/08/60/35/763086035.db2.gz KVWWSNUHVFZJCU-NJAFHUGGSA-N 1 1 362.901 3.258 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccccc2Cl)CC1(C)C ZINC000975055451 763086038 /nfs/dbraw/zinc/08/60/38/763086038.db2.gz KVWWSNUHVFZJCU-NJAFHUGGSA-N 1 1 362.901 3.258 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC[C@H](C)F)C2 ZINC000982060647 763553897 /nfs/dbraw/zinc/55/38/97/763553897.db2.gz BAZWOABEPXCPKO-BZSNNMDCSA-N 1 1 352.494 3.030 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccccc2Cl)CC1 ZINC000982173999 763574425 /nfs/dbraw/zinc/57/44/25/763574425.db2.gz UAWCBALCFMFFQD-HKUYNNGSSA-N 1 1 362.901 3.356 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC000982173999 763574434 /nfs/dbraw/zinc/57/44/34/763574434.db2.gz UAWCBALCFMFFQD-HKUYNNGSSA-N 1 1 362.901 3.356 20 30 FGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)CC1 ZINC000985699404 763986019 /nfs/dbraw/zinc/98/60/19/763986019.db2.gz JFSSAOAHCCYIFE-RBUKOAKNSA-N 1 1 362.901 3.474 20 30 FGEDMO C=C(Br)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001001873826 765301753 /nfs/dbraw/zinc/30/17/53/765301753.db2.gz JHUDMXQNUXNSSP-HUUCEWRRSA-N 1 1 367.287 3.120 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCCF)CC1 ZINC001004574826 765439139 /nfs/dbraw/zinc/43/91/39/765439139.db2.gz FCTOIKCCRKVZKW-OTWHNJEPSA-N 1 1 352.494 3.030 20 30 FGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001017634942 765839452 /nfs/dbraw/zinc/83/94/52/765839452.db2.gz YWYIBNUSCWJRIL-XUWVNRHRSA-N 1 1 360.420 3.128 20 30 FGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 ZINC001027448707 766093782 /nfs/dbraw/zinc/09/37/82/766093782.db2.gz LPCJTHVWVCJGFI-HRCADAONSA-N 1 1 362.436 3.375 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCc1ccsc1 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/nfs/dbraw/zinc/20/63/29/494206329.db2.gz QLAHJWMDLPVYIC-QGZVFWFLSA-N 1 1 352.413 3.252 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1 ZINC000042575375 494228865 /nfs/dbraw/zinc/22/88/65/494228865.db2.gz XSLDTAIMCMLADF-KRWDZBQOSA-N 1 1 370.493 3.179 20 30 FGEDMO CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)Nc1ccccc1SCC#N ZINC000072759061 494246025 /nfs/dbraw/zinc/24/60/25/494246025.db2.gz JPZPCRDLBZWCGY-MRXNPFEDSA-N 1 1 360.527 3.047 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065959549 494262677 /nfs/dbraw/zinc/26/26/77/494262677.db2.gz RVVYXJATYRIYGQ-UHFFFAOYSA-N 1 1 365.433 3.215 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065959549 494262684 /nfs/dbraw/zinc/26/26/84/494262684.db2.gz RVVYXJATYRIYGQ-UHFFFAOYSA-N 1 1 365.433 3.215 20 30 FGEDMO CN(CC(=O)Nc1sccc1C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868801 494272608 /nfs/dbraw/zinc/27/26/08/494272608.db2.gz UXZLFKFJAMGTEN-KRWDZBQOSA-N 1 1 368.506 3.012 20 30 FGEDMO C=CCN(CC(F)(F)F)C(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000066305564 494307559 /nfs/dbraw/zinc/30/75/59/494307559.db2.gz JYNMJZXPJUSSCP-HUUCEWRRSA-N 1 1 370.415 3.486 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000055157062 494308038 /nfs/dbraw/zinc/30/80/38/494308038.db2.gz VYHCKVJSAOAGTI-NHCUHLMSSA-N 1 1 368.452 3.339 20 30 FGEDMO C=CCC[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000571355792 505713363 /nfs/dbraw/zinc/71/33/63/505713363.db2.gz IYQRGFGCJHADHC-IHPCNDPISA-N 1 1 371.525 3.141 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CCC(CCC#N)CC1 ZINC000577369489 505714309 /nfs/dbraw/zinc/71/43/09/505714309.db2.gz FTYHJKSCDQPJKO-LBPRGKRZSA-N 1 1 365.380 3.351 20 30 FGEDMO C=C(C)C[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000055505066 494353531 /nfs/dbraw/zinc/35/35/31/494353531.db2.gz QGUNQADWIAYLJH-UHFFFAOYSA-N 1 1 366.387 3.449 20 30 FGEDMO C=CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000055725140 494395944 /nfs/dbraw/zinc/39/59/44/494395944.db2.gz COVONNATVVULNE-UHFFFAOYSA-N 1 1 365.477 3.251 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)c(C#N)c1C ZINC000089923270 494402177 /nfs/dbraw/zinc/40/21/77/494402177.db2.gz XFZJVRSCCROICW-UHFFFAOYSA-N 1 1 356.495 3.373 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(N(C)C)c2)c(C#N)c1C ZINC000089923270 494402180 /nfs/dbraw/zinc/40/21/80/494402180.db2.gz XFZJVRSCCROICW-UHFFFAOYSA-N 1 1 356.495 3.373 20 30 FGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c1C#N ZINC000089939672 494408190 /nfs/dbraw/zinc/40/81/90/494408190.db2.gz LCGQCGBIZUVCDJ-KRWDZBQOSA-N 1 1 368.506 3.342 20 30 FGEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)[C@H]2CCSC2)c1C#N ZINC000089939672 494408192 /nfs/dbraw/zinc/40/81/92/494408192.db2.gz LCGQCGBIZUVCDJ-KRWDZBQOSA-N 1 1 368.506 3.342 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000574216127 505722605 /nfs/dbraw/zinc/72/26/05/505722605.db2.gz NCGSUXLQAFOEAP-XAMWDVODSA-N 1 1 358.482 3.216 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000045823171 494467069 /nfs/dbraw/zinc/46/70/69/494467069.db2.gz XJSUDEXGCZQGKW-MRXNPFEDSA-N 1 1 362.518 3.318 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000046086427 494493300 /nfs/dbraw/zinc/49/33/00/494493300.db2.gz AAGFJDMAKAIIEY-UHFFFAOYSA-N 1 1 359.433 3.321 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000046086427 494493304 /nfs/dbraw/zinc/49/33/04/494493304.db2.gz AAGFJDMAKAIIEY-UHFFFAOYSA-N 1 1 359.433 3.321 20 30 FGEDMO COc1c(C)cnc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000067226460 494496748 /nfs/dbraw/zinc/49/67/48/494496748.db2.gz DTVXGUCFYQULOO-UHFFFAOYSA-N 1 1 364.493 3.287 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000067320784 494514526 /nfs/dbraw/zinc/51/45/26/494514526.db2.gz DQIMWXSUUYIXMF-QGZVFWFLSA-N 1 1 373.497 3.359 20 30 FGEDMO CCOc1ccc(OCC[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000022781333 494534773 /nfs/dbraw/zinc/53/47/73/494534773.db2.gz PAOGOKOWKTTYJH-UHFFFAOYSA-N 1 1 365.477 3.154 20 30 FGEDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000046529574 494536168 /nfs/dbraw/zinc/53/61/68/494536168.db2.gz YCJKLIPYHLLAQH-CQSZACIVSA-N 1 1 352.394 3.234 20 30 FGEDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000046529574 494536173 /nfs/dbraw/zinc/53/61/73/494536173.db2.gz YCJKLIPYHLLAQH-CQSZACIVSA-N 1 1 352.394 3.234 20 30 FGEDMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(OC(F)F)cc1 ZINC000023220051 494556391 /nfs/dbraw/zinc/55/63/91/494556391.db2.gz CPTRSFRNQUUGIZ-UHFFFAOYSA-N 1 1 351.397 3.062 20 30 FGEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(OC(F)F)cc1 ZINC000023220051 494556394 /nfs/dbraw/zinc/55/63/94/494556394.db2.gz CPTRSFRNQUUGIZ-UHFFFAOYSA-N 1 1 351.397 3.062 20 30 FGEDMO C[C@@H](Oc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023451002 494566862 /nfs/dbraw/zinc/56/68/62/494566862.db2.gz JOTOIDSXEZLHKX-GOSISDBHSA-N 1 1 363.461 3.060 20 30 FGEDMO C[C@@H](Oc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023451002 494566867 /nfs/dbraw/zinc/56/68/67/494566867.db2.gz JOTOIDSXEZLHKX-GOSISDBHSA-N 1 1 363.461 3.060 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000023450954 494567149 /nfs/dbraw/zinc/56/71/49/494567149.db2.gz FAYGGVLMAUVPAH-UHFFFAOYSA-N 1 1 355.388 3.185 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000023450954 494567152 /nfs/dbraw/zinc/56/71/52/494567152.db2.gz FAYGGVLMAUVPAH-UHFFFAOYSA-N 1 1 355.388 3.185 20 30 FGEDMO C[C@@H]1C[N@H+](C2CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)CCO1 ZINC000091453589 494600452 /nfs/dbraw/zinc/60/04/52/494600452.db2.gz LVXKUYUCVYGPRC-CYBMUJFWSA-N 1 1 353.388 3.267 20 30 FGEDMO N#CCSCCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000074989127 494670097 /nfs/dbraw/zinc/67/00/97/494670097.db2.gz NMWFIMRMVCVVDG-HNNXBMFYSA-N 1 1 355.301 3.469 20 30 FGEDMO N#CCSCCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000074989127 494670102 /nfs/dbraw/zinc/67/01/02/494670102.db2.gz NMWFIMRMVCVVDG-HNNXBMFYSA-N 1 1 355.301 3.469 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000108374023 494691976 /nfs/dbraw/zinc/69/19/76/494691976.db2.gz URZKYTBHJCPSLL-HOTGVXAUSA-N 1 1 361.511 3.378 20 30 FGEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092707630 494720606 /nfs/dbraw/zinc/72/06/06/494720606.db2.gz YFPOUAMVGLEWQD-IBGZPJMESA-N 1 1 357.498 3.497 20 30 FGEDMO CN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000091932281 494724881 /nfs/dbraw/zinc/72/48/81/494724881.db2.gz NKIDCACBGGQCDG-HXUWFJFHSA-N 1 1 359.477 3.302 20 30 FGEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000577496504 505740552 /nfs/dbraw/zinc/74/05/52/505740552.db2.gz JLYJLNLPLXHCRI-HXUWFJFHSA-N 1 1 351.406 3.240 20 30 FGEDMO C[C@@H]1C[N@@H+](C2CCN(Cc3cccc(OCCCC#N)c3)CC2)CCO1 ZINC000092079203 494782900 /nfs/dbraw/zinc/78/29/00/494782900.db2.gz PRYSSEZZDREPTM-GOSISDBHSA-N 1 1 357.498 3.054 20 30 FGEDMO C[C@@H]1C[N@H+](C2CCN(Cc3cccc(OCCCC#N)c3)CC2)CCO1 ZINC000092079203 494782908 /nfs/dbraw/zinc/78/29/08/494782908.db2.gz PRYSSEZZDREPTM-GOSISDBHSA-N 1 1 357.498 3.054 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CCc2ccncc2)c1 ZINC000121553220 494801332 /nfs/dbraw/zinc/80/13/32/494801332.db2.gz VGVWGMOVGLIISB-UHFFFAOYSA-N 1 1 350.466 3.120 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CCc2ccncc2)c1 ZINC000121553220 494801336 /nfs/dbraw/zinc/80/13/36/494801336.db2.gz VGVWGMOVGLIISB-UHFFFAOYSA-N 1 1 350.466 3.120 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)ccc1OC ZINC000093042608 494814430 /nfs/dbraw/zinc/81/44/30/494814430.db2.gz HZXNVGASGQPDNC-FQEVSTJZSA-N 1 1 374.525 3.194 20 30 FGEDMO N#Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000132153734 494829725 /nfs/dbraw/zinc/82/97/25/494829725.db2.gz MHCHFIPGOVVOCU-CTNGQTDRSA-N 1 1 360.461 3.080 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000026662877 494833639 /nfs/dbraw/zinc/83/36/39/494833639.db2.gz WNEITAWOLZUSCF-SFHVURJKSA-N 1 1 365.433 3.049 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000026662877 494833642 /nfs/dbraw/zinc/83/36/42/494833642.db2.gz WNEITAWOLZUSCF-SFHVURJKSA-N 1 1 365.433 3.049 20 30 FGEDMO COc1ccc(C)cc1C[NH+]1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000026761084 494836788 /nfs/dbraw/zinc/83/67/88/494836788.db2.gz AZJDUEGVTDRKLF-UHFFFAOYSA-N 1 1 350.466 3.209 20 30 FGEDMO C[C@@H]1C[C@H](CNC(=O)c2c(F)cc(C#N)cc2F)C[N@H+]1Cc1ccccc1 ZINC000132313535 494855169 /nfs/dbraw/zinc/85/51/69/494855169.db2.gz RZCQQFCZAHYOFO-RHSMWYFYSA-N 1 1 369.415 3.477 20 30 FGEDMO N#Cc1cccc(OC2CC[NH+]([C@H]3CCN(c4ccccc4)C3=O)CC2)c1 ZINC000109328577 494860430 /nfs/dbraw/zinc/86/04/30/494860430.db2.gz BYIACXXTDBXSCG-NRFANRHFSA-N 1 1 361.445 3.207 20 30 FGEDMO C[C@@H](CCO)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000093302928 494863583 /nfs/dbraw/zinc/86/35/83/494863583.db2.gz XUYXDLCXUHYDBB-INIZCTEOSA-N 1 1 362.433 3.381 20 30 FGEDMO C[C@@H](CCO)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000093302928 494863588 /nfs/dbraw/zinc/86/35/88/494863588.db2.gz XUYXDLCXUHYDBB-INIZCTEOSA-N 1 1 362.433 3.381 20 30 FGEDMO CCOCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000093316772 494867392 /nfs/dbraw/zinc/86/73/92/494867392.db2.gz QGFKLJXBLGXGLY-UHFFFAOYSA-N 1 1 372.444 3.012 20 30 FGEDMO CCOCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000093316772 494867393 /nfs/dbraw/zinc/86/73/93/494867393.db2.gz QGFKLJXBLGXGLY-UHFFFAOYSA-N 1 1 372.444 3.012 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCCCO1 ZINC000121834902 494870802 /nfs/dbraw/zinc/87/08/02/494870802.db2.gz PYKNTKRLWMSMSJ-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121845975 494873798 /nfs/dbraw/zinc/87/37/98/494873798.db2.gz GZCQHDMTHLXPCX-NQIIRXRSSA-N 1 1 362.562 3.017 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc(OC)c1O ZINC000093362777 494879813 /nfs/dbraw/zinc/87/98/13/494879813.db2.gz YQBDRLRPWGXAFP-SFHVURJKSA-N 1 1 358.482 3.106 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3(C#N)CCCCC3)cc2)C[C@@H](C)O1 ZINC000117387697 494915784 /nfs/dbraw/zinc/91/57/84/494915784.db2.gz ALVCUMAEDVGNLV-IAGOWNOFSA-N 1 1 355.482 3.252 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000133182962 494981754 /nfs/dbraw/zinc/98/17/54/494981754.db2.gz HEZINHUPZAIERN-UHFFFAOYSA-N 1 1 365.477 3.158 20 30 FGEDMO C[C@@H]1SCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H]1C ZINC000118533592 495007257 /nfs/dbraw/zinc/00/72/57/495007257.db2.gz BBMVFUKXCZHGQB-KBPBESRZSA-N 1 1 351.903 3.412 20 30 FGEDMO C[C@@H]1SCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H]1C ZINC000118533592 495007258 /nfs/dbraw/zinc/00/72/58/495007258.db2.gz BBMVFUKXCZHGQB-KBPBESRZSA-N 1 1 351.903 3.412 20 30 FGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cccc(C#N)c3)CC2)cs1 ZINC000111043425 495033563 /nfs/dbraw/zinc/03/35/63/495033563.db2.gz CDUFXPIMOMTFCM-UHFFFAOYSA-N 1 1 368.506 3.219 20 30 FGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(I)c1 ZINC000098068918 495052143 /nfs/dbraw/zinc/05/21/43/495052143.db2.gz XIVXYAHPLCUMEE-UHFFFAOYSA-N 1 1 358.223 3.128 20 30 FGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(I)c1 ZINC000098068918 495052146 /nfs/dbraw/zinc/05/21/46/495052146.db2.gz XIVXYAHPLCUMEE-UHFFFAOYSA-N 1 1 358.223 3.128 20 30 FGEDMO C=CC1CCN(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000111477943 495080396 /nfs/dbraw/zinc/08/03/96/495080396.db2.gz CGBIJZDNIVSICT-QGZVFWFLSA-N 1 1 357.498 3.015 20 30 FGEDMO C=CC1CCN(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000111477943 495080402 /nfs/dbraw/zinc/08/04/02/495080402.db2.gz CGBIJZDNIVSICT-QGZVFWFLSA-N 1 1 357.498 3.015 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccco1 ZINC000111770765 495109856 /nfs/dbraw/zinc/10/98/56/495109856.db2.gz JPEYNMWGCJYLNP-FQEVSTJZSA-N 1 1 374.444 3.499 20 30 FGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000134225083 495124151 /nfs/dbraw/zinc/12/41/51/495124151.db2.gz BNWHWNZKIYHHCH-GUYCJALGSA-N 1 1 355.463 3.272 20 30 FGEDMO CC[C@@H](O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000134495638 495158732 /nfs/dbraw/zinc/15/87/32/495158732.db2.gz NYXIGVFKASSWBI-HXUWFJFHSA-N 1 1 351.450 3.160 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000123620817 495161671 /nfs/dbraw/zinc/16/16/71/495161671.db2.gz PSLASCSFPQUNOO-KRWDZBQOSA-N 1 1 357.498 3.296 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000102925932 495172975 /nfs/dbraw/zinc/17/29/75/495172975.db2.gz HCMCGFPVSWLGBC-IBGZPJMESA-N 1 1 372.513 3.216 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CCCCC1 ZINC000134769206 495199068 /nfs/dbraw/zinc/19/90/68/495199068.db2.gz LEZFPHBVLRXYGB-RBUKOAKNSA-N 1 1 373.472 3.056 20 30 FGEDMO CC(C)[C@@H](CO)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000112659092 495218478 /nfs/dbraw/zinc/21/84/78/495218478.db2.gz IKGNYOJGQVHXKV-OAQYLSRUSA-N 1 1 365.477 3.406 20 30 FGEDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000134970280 495232816 /nfs/dbraw/zinc/23/28/16/495232816.db2.gz SKLOAWRVGGRQRA-CQSZACIVSA-N 1 1 362.882 3.032 20 30 FGEDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000134970280 495232817 /nfs/dbraw/zinc/23/28/17/495232817.db2.gz SKLOAWRVGGRQRA-CQSZACIVSA-N 1 1 362.882 3.032 20 30 FGEDMO C=C(C)COCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000135015793 495239283 /nfs/dbraw/zinc/23/92/83/495239283.db2.gz RGTZRUJOVVWKJK-GOSISDBHSA-N 1 1 359.514 3.453 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CSc1ccc(C#N)cc1 ZINC000119873244 495259359 /nfs/dbraw/zinc/25/93/59/495259359.db2.gz FEFPRAWSZACWKR-UZLBHIALSA-N 1 1 365.502 3.287 20 30 FGEDMO CN(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000104714411 495300505 /nfs/dbraw/zinc/30/05/05/495300505.db2.gz BCOWKFFZQDMOHR-UHFFFAOYSA-N 1 1 355.482 3.193 20 30 FGEDMO CN(C)c1cc(C#N)cc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000568769456 505773481 /nfs/dbraw/zinc/77/34/81/505773481.db2.gz XMQQDLYEYYQCKM-JOCHJYFZSA-N 1 1 362.477 3.019 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000113933949 495337140 /nfs/dbraw/zinc/33/71/40/495337140.db2.gz YVCRDEZZLOFPOD-IEBWSBKVSA-N 1 1 354.498 3.083 20 30 FGEDMO C=C(C)COCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000130115634 495343639 /nfs/dbraw/zinc/34/36/39/495343639.db2.gz CWHPJVOHRDEEKT-IHWFROFDSA-N 1 1 357.498 3.074 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000105586201 495373691 /nfs/dbraw/zinc/37/36/91/495373691.db2.gz VFJIQHBOHOCALT-LJQANCHMSA-N 1 1 351.425 3.226 20 30 FGEDMO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000114501047 495386622 /nfs/dbraw/zinc/38/66/22/495386622.db2.gz BWSLXIOOOQOTMI-OLZOCXBDSA-N 1 1 371.412 3.392 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCC1CCOCC1 ZINC000120603284 495415479 /nfs/dbraw/zinc/41/54/79/495415479.db2.gz IIKAHIOIRMZZCJ-CYBMUJFWSA-N 1 1 361.511 3.184 20 30 FGEDMO Cc1cc(C)n(CC2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1 ZINC000106188753 495428119 /nfs/dbraw/zinc/42/81/19/495428119.db2.gz SOADPHWXYHAAIX-QGZVFWFLSA-N 1 1 365.481 3.111 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000130870725 495459326 /nfs/dbraw/zinc/45/93/26/495459326.db2.gz QZOYPUIYUGIQLD-MJGOQNOKSA-N 1 1 369.852 3.418 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000130870725 495459332 /nfs/dbraw/zinc/45/93/32/495459332.db2.gz QZOYPUIYUGIQLD-MJGOQNOKSA-N 1 1 369.852 3.418 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCCn1ccnc1C ZINC000130952091 495471228 /nfs/dbraw/zinc/47/12/28/495471228.db2.gz XLKWFYDUPZPNBN-UHFFFAOYSA-N 1 1 358.511 3.430 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)nc1 ZINC000568824917 505785127 /nfs/dbraw/zinc/78/51/27/505785127.db2.gz BFIBDBHGDWIDPZ-KRWDZBQOSA-N 1 1 370.840 3.089 20 30 FGEDMO CN(CCC#N)c1ccc(CNc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000120943259 495489899 /nfs/dbraw/zinc/48/98/99/495489899.db2.gz BXZFCGLBINWPAC-UHFFFAOYSA-N 1 1 364.493 3.481 20 30 FGEDMO N#Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000148935479 495589363 /nfs/dbraw/zinc/58/93/63/495589363.db2.gz NQMXZLRFLBSOBH-GOSISDBHSA-N 1 1 368.506 3.331 20 30 FGEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000185497339 495600492 /nfs/dbraw/zinc/60/04/92/495600492.db2.gz HGKBWOLVBIQPKU-CVEARBPZSA-N 1 1 368.506 3.326 20 30 FGEDMO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)o1 ZINC000150726211 495616112 /nfs/dbraw/zinc/61/61/12/495616112.db2.gz RJLSNMNIECYVHL-SFHVURJKSA-N 1 1 356.470 3.415 20 30 FGEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)N(CCC#N)CCC#N)o1 ZINC000150726211 495616118 /nfs/dbraw/zinc/61/61/18/495616118.db2.gz RJLSNMNIECYVHL-SFHVURJKSA-N 1 1 356.470 3.415 20 30 FGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000150745311 495619951 /nfs/dbraw/zinc/61/99/51/495619951.db2.gz JYYVMRYFVLAZCO-FQEVSTJZSA-N 1 1 356.514 3.456 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000173652116 495634428 /nfs/dbraw/zinc/63/44/28/495634428.db2.gz AWKHQTFBTCFNCT-RHSMWYFYSA-N 1 1 367.415 3.181 20 30 FGEDMO C[C@@H](Sc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173712054 495657426 /nfs/dbraw/zinc/65/74/26/495657426.db2.gz LPBKQHLEGKLPCA-VQIMIIECSA-N 1 1 365.502 3.430 20 30 FGEDMO C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712869 495692919 /nfs/dbraw/zinc/69/29/19/495692919.db2.gz ICVVGFHSBWSBKP-HOCLYGCPSA-N 1 1 374.916 3.393 20 30 FGEDMO C[C@@H]1OCC[C@@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571730800 505800870 /nfs/dbraw/zinc/80/08/70/505800870.db2.gz TVUKGIYIRLICAZ-HRAATJIYSA-N 1 1 354.425 3.239 20 30 FGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(N2CCCS2(=O)=O)c1 ZINC000151144648 495752543 /nfs/dbraw/zinc/75/25/43/495752543.db2.gz FDNGDXASBMNTQA-AWEZNQCLSA-N 1 1 373.453 3.088 20 30 FGEDMO CN(C(=O)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000154932282 495776352 /nfs/dbraw/zinc/77/63/52/495776352.db2.gz GYWMQUFOBZCBOS-LJQANCHMSA-N 1 1 354.498 3.248 20 30 FGEDMO CN(C(=O)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1)C1(C#N)CCCCC1 ZINC000154932282 495776355 /nfs/dbraw/zinc/77/63/55/495776355.db2.gz GYWMQUFOBZCBOS-LJQANCHMSA-N 1 1 354.498 3.248 20 30 FGEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000186052557 495837729 /nfs/dbraw/zinc/83/77/29/495837729.db2.gz XQUJHVYMQQQAIZ-OAQYLSRUSA-N 1 1 368.502 3.429 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000171484063 495896045 /nfs/dbraw/zinc/89/60/45/495896045.db2.gz FJSIXRJFCDZCCL-IYBDPMFKSA-N 1 1 360.477 3.255 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000183246287 495897076 /nfs/dbraw/zinc/89/70/76/495897076.db2.gz BOZHOJDHWIMJEH-UHFFFAOYSA-N 1 1 364.449 3.483 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000183246287 495897083 /nfs/dbraw/zinc/89/70/83/495897083.db2.gz BOZHOJDHWIMJEH-UHFFFAOYSA-N 1 1 364.449 3.483 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000183246287 495897086 /nfs/dbraw/zinc/89/70/86/495897086.db2.gz BOZHOJDHWIMJEH-UHFFFAOYSA-N 1 1 364.449 3.483 20 30 FGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180198331 495902181 /nfs/dbraw/zinc/90/21/81/495902181.db2.gz FSQTVMCWFHPLFZ-FQEVSTJZSA-N 1 1 351.498 3.265 20 30 FGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000160217603 495911611 /nfs/dbraw/zinc/91/16/11/495911611.db2.gz ALZDGGZWUHAEPP-KRWDZBQOSA-N 1 1 366.465 3.197 20 30 FGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000160217603 495911619 /nfs/dbraw/zinc/91/16/19/495911619.db2.gz ALZDGGZWUHAEPP-KRWDZBQOSA-N 1 1 366.465 3.197 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000155524249 495982343 /nfs/dbraw/zinc/98/23/43/495982343.db2.gz RVUYVKJPUNMLJB-FQEVSTJZSA-N 1 1 351.450 3.251 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000155524249 495982350 /nfs/dbraw/zinc/98/23/50/495982350.db2.gz RVUYVKJPUNMLJB-FQEVSTJZSA-N 1 1 351.450 3.251 20 30 FGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160785249 496042291 /nfs/dbraw/zinc/04/22/91/496042291.db2.gz QKGFAYJDYDMQRU-IBGZPJMESA-N 1 1 352.482 3.273 20 30 FGEDMO N#C[C@@H](NC(=O)CCCC[NH+]1CCOCC1)c1cccc(Cl)c1Cl ZINC000171827268 496053922 /nfs/dbraw/zinc/05/39/22/496053922.db2.gz YGYWMGOCIDIHOL-OAHLLOKOSA-N 1 1 370.280 3.177 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186601060 496066882 /nfs/dbraw/zinc/06/68/82/496066882.db2.gz AJRCZFCAUIJMCH-NRFANRHFSA-N 1 1 358.401 3.240 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)cc1 ZINC000186601060 496066888 /nfs/dbraw/zinc/06/68/88/496066888.db2.gz AJRCZFCAUIJMCH-NRFANRHFSA-N 1 1 358.401 3.240 20 30 FGEDMO C[N@H+]1CCCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000177462032 496071233 /nfs/dbraw/zinc/07/12/33/496071233.db2.gz JKQMNOXTPBRXKQ-UHFFFAOYSA-N 1 1 351.475 3.487 20 30 FGEDMO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(F)cc3C#N)cc2F)CC1 ZINC000177572431 496116557 /nfs/dbraw/zinc/11/65/57/496116557.db2.gz WCEKPPGHKFGSCP-UHFFFAOYSA-N 1 1 370.403 3.231 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C2CC2)C[C@H]1C ZINC000568992460 505825620 /nfs/dbraw/zinc/82/56/20/505825620.db2.gz LDOHJGNVBUPCOJ-CABCVRRESA-N 1 1 350.470 3.071 20 30 FGEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000177727826 496174342 /nfs/dbraw/zinc/17/43/42/496174342.db2.gz BRZAXFUJZMPTDG-QWXGXRTQSA-N 1 1 369.490 3.317 20 30 FGEDMO C=C(C)Cn1c(-c2scnc2C)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000569003896 505827895 /nfs/dbraw/zinc/82/78/95/505827895.db2.gz WCMFVIUBSHMADZ-HNNXBMFYSA-N 1 1 360.531 3.205 20 30 FGEDMO CCCN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177796281 496200137 /nfs/dbraw/zinc/20/01/37/496200137.db2.gz UIDCBJIZPAGPSL-LJQANCHMSA-N 1 1 350.466 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ZINC000172507788 496321488 /nfs/dbraw/zinc/32/14/88/496321488.db2.gz ILAYCKYOMNIYMS-QGZVFWFLSA-N 1 1 359.473 3.496 20 30 FGEDMO CS(=O)(=O)c1cccc(OCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000172530522 496329800 /nfs/dbraw/zinc/32/98/00/496329800.db2.gz MEYMAEIVSYXTQF-UHFFFAOYSA-N 1 1 370.474 3.005 20 30 FGEDMO CS(=O)(=O)c1cccc(OCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000172530522 496329804 /nfs/dbraw/zinc/32/98/04/496329804.db2.gz MEYMAEIVSYXTQF-UHFFFAOYSA-N 1 1 370.474 3.005 20 30 FGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156837149 496344891 /nfs/dbraw/zinc/34/48/91/496344891.db2.gz UBAOWIFVVVAZEB-JXFKEZNVSA-N 1 1 354.475 3.210 20 30 FGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156837149 496344896 /nfs/dbraw/zinc/34/48/96/496344896.db2.gz UBAOWIFVVVAZEB-JXFKEZNVSA-N 1 1 354.475 3.210 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000580789342 505838984 /nfs/dbraw/zinc/83/89/84/505838984.db2.gz OJHVNAONBJQOBU-SFHVURJKSA-N 1 1 360.417 3.116 20 30 FGEDMO Cc1cc(OCC[N@@H+](C)CCCc2[nH]nc(N)c2C#N)ccc1C(C)C ZINC000153286988 496409076 /nfs/dbraw/zinc/40/90/76/496409076.db2.gz RDSCXUYHEKTIQK-UHFFFAOYSA-N 1 1 355.486 3.239 20 30 FGEDMO C[N@@H+](CCNC(=O)c1ccc(C2(C#N)CC2)cc1)Cc1ccc(F)cc1 ZINC000181541781 496438530 /nfs/dbraw/zinc/43/85/30/496438530.db2.gz GOGFBIHXUJKEFT-UHFFFAOYSA-N 1 1 351.425 3.243 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000153470972 496465676 /nfs/dbraw/zinc/46/56/76/496465676.db2.gz IFUQNDSKCXIAKB-MJGOQNOKSA-N 1 1 370.493 3.349 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3cccnc3)C2)cc1Cl ZINC000580831936 505848162 /nfs/dbraw/zinc/84/81/62/505848162.db2.gz KTTIYTKQWKORKE-MRXNPFEDSA-N 1 1 354.841 3.425 20 30 FGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000163510379 496526069 /nfs/dbraw/zinc/52/60/69/496526069.db2.gz IVYFJXKYYXCJHV-CQSZACIVSA-N 1 1 371.934 3.067 20 30 FGEDMO C[C@@H](C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)CO)c1ccccc1 ZINC000574760786 505849881 /nfs/dbraw/zinc/84/98/81/505849881.db2.gz ZOUKKQIACYAAGK-HOTGVXAUSA-N 1 1 353.422 3.453 20 30 FGEDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000164210528 496594431 /nfs/dbraw/zinc/59/44/31/496594431.db2.gz VULPXKCZICVJSQ-CQSZACIVSA-N 1 1 351.406 3.136 20 30 FGEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000164210528 496594436 /nfs/dbraw/zinc/59/44/36/496594436.db2.gz VULPXKCZICVJSQ-CQSZACIVSA-N 1 1 351.406 3.136 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000176030157 496650192 /nfs/dbraw/zinc/65/01/92/496650192.db2.gz ARWXLFMPABWEBS-OAHLLOKOSA-N 1 1 352.413 3.436 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000176030157 496650195 /nfs/dbraw/zinc/65/01/95/496650195.db2.gz ARWXLFMPABWEBS-OAHLLOKOSA-N 1 1 352.413 3.436 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000188056440 496665589 /nfs/dbraw/zinc/66/55/89/496665589.db2.gz JMSFUNZQUIFUGA-FUHWJXTLSA-N 1 1 371.525 3.418 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 ZINC000571970404 505858599 /nfs/dbraw/zinc/85/85/99/505858599.db2.gz KQDQOFVWSCVGRV-UHFFFAOYSA-N 1 1 361.445 3.363 20 30 FGEDMO N#Cc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000194848138 496734361 /nfs/dbraw/zinc/73/43/61/496734361.db2.gz ZTLXVRUCOBSPBF-UHFFFAOYSA-N 1 1 367.880 3.489 20 30 FGEDMO N#Cc1ccc(CC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000194848138 496734367 /nfs/dbraw/zinc/73/43/67/496734367.db2.gz ZTLXVRUCOBSPBF-UHFFFAOYSA-N 1 1 367.880 3.489 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)sc1C ZINC000268623479 496749103 /nfs/dbraw/zinc/74/91/03/496749103.db2.gz BZHZYNJSHMGKHO-UHFFFAOYSA-N 1 1 354.479 3.482 20 30 FGEDMO N#Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc1 ZINC000247045164 496761274 /nfs/dbraw/zinc/76/12/74/496761274.db2.gz OMZKTSMEYWFMTL-TZIWHRDSSA-N 1 1 360.461 3.080 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]12 ZINC000273283575 496762928 /nfs/dbraw/zinc/76/29/28/496762928.db2.gz HHXXKLWYBVJUMZ-NZSAHSFTSA-N 1 1 371.481 3.324 20 30 FGEDMO CCOc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194957103 496774095 /nfs/dbraw/zinc/77/40/95/496774095.db2.gz NBGOMHSREANYGQ-FQEVSTJZSA-N 1 1 366.461 3.361 20 30 FGEDMO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000578118596 505866290 /nfs/dbraw/zinc/86/62/90/505866290.db2.gz NYVNLOGDACSUKE-ZOCIIQOWSA-N 1 1 365.502 3.286 20 30 FGEDMO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000578118596 505866291 /nfs/dbraw/zinc/86/62/91/505866291.db2.gz NYVNLOGDACSUKE-ZOCIIQOWSA-N 1 1 365.502 3.286 20 30 FGEDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]CCOc2cccc(C#N)c2)n1 ZINC000273385912 496791586 /nfs/dbraw/zinc/79/15/86/496791586.db2.gz NTQGSCHZHWOOQF-CQSZACIVSA-N 1 1 364.405 3.346 20 30 FGEDMO COc1ccccc1-c1noc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000273392212 496792307 /nfs/dbraw/zinc/79/23/07/496792307.db2.gz OZHVPVMKJCDMRI-SUMWQHHRSA-N 1 1 364.405 3.001 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000247151483 496792849 /nfs/dbraw/zinc/79/28/49/496792849.db2.gz XPOSXOKMQTVLGB-PMACEKPBSA-N 1 1 370.541 3.212 20 30 FGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3ccncc3)CC2)cc1Cl ZINC000191602684 496827822 /nfs/dbraw/zinc/82/78/22/496827822.db2.gz XOKBDHJXSUGXID-UHFFFAOYSA-N 1 1 354.841 3.425 20 30 FGEDMO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000277616430 496830331 /nfs/dbraw/zinc/83/03/31/496830331.db2.gz WUAQTFKMOQLGHR-INIZCTEOSA-N 1 1 358.486 3.110 20 30 FGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)c(O)c1 ZINC000188601722 496846964 /nfs/dbraw/zinc/84/69/64/496846964.db2.gz UZHDULWCBAIFJM-GOSISDBHSA-N 1 1 363.461 3.248 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000264244783 496850062 /nfs/dbraw/zinc/85/00/62/496850062.db2.gz ZXXAIWBVOWYASC-UHFFFAOYSA-N 1 1 373.378 3.324 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000264244783 496850067 /nfs/dbraw/zinc/85/00/67/496850067.db2.gz ZXXAIWBVOWYASC-UHFFFAOYSA-N 1 1 373.378 3.324 20 30 FGEDMO C=CCC1(C(=O)NCc2ccccc2C[NH+]2CCN(CC)CC2)CCC1 ZINC000188641624 496862167 /nfs/dbraw/zinc/86/21/67/496862167.db2.gz SXPGCRJDQBOYRJ-UHFFFAOYSA-N 1 1 355.526 3.187 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247554407 496887351 /nfs/dbraw/zinc/88/73/51/496887351.db2.gz KPBFJNZQIXONFD-HLIPFELVSA-N 1 1 361.486 3.002 20 30 FGEDMO CN1CCO[C@@H]([C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000247815225 496918800 /nfs/dbraw/zinc/91/88/00/496918800.db2.gz VZEMTOGPZBXZKW-MSOLQXFVSA-N 1 1 361.898 3.435 20 30 FGEDMO C=CC[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000188851180 496927822 /nfs/dbraw/zinc/92/78/22/496927822.db2.gz OCMMQLCUUZCFNJ-PJEZACDQSA-N 1 1 367.537 3.116 20 30 FGEDMO CCOc1cc(C[NH2+][C@@H](CC)CC#N)ccc1OCC(=O)N1CCCCC1 ZINC000273886516 496944409 /nfs/dbraw/zinc/94/44/09/496944409.db2.gz SIZXLKUCCDNRRK-SFHVURJKSA-N 1 1 373.497 3.258 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@H](C#N)C3CCCCC3)cc2)C[C@@H](C)O1 ZINC000248359023 496983758 /nfs/dbraw/zinc/98/37/58/496983758.db2.gz RMFPSYNFOLEEDM-CBGDNZLLSA-N 1 1 369.509 3.498 20 30 FGEDMO C=CC[NH+]1CCC(NC(=O)c2cn[nH]c2-c2ccc(Cl)s2)CC1 ZINC000189277607 497067509 /nfs/dbraw/zinc/06/75/09/497067509.db2.gz ABPQQQZBQPRXQA-UHFFFAOYSA-N 1 1 350.875 3.172 20 30 FGEDMO CN1CCN(C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccccc2)CC1 ZINC000580982230 505882644 /nfs/dbraw/zinc/88/26/44/505882644.db2.gz SKKAUBMLJWALDC-PKTZIBPZSA-N 1 1 360.505 3.124 20 30 FGEDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3Sc3ccccc3C#N)C[C@H]2C1 ZINC000192486067 497130192 /nfs/dbraw/zinc/13/01/92/497130192.db2.gz CGRHXAPBEGZIJW-CALCHBBNSA-N 1 1 363.486 3.343 20 30 FGEDMO CC(C)(CNCc1cn(CCC#N)nc1-c1ccncc1)C[NH+]1CCCC1 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AMRSELOGQRDARP-NZQKXSOJSA-N 1 1 373.456 3.414 20 30 FGEDMO COC(=O)[C@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@@H]1c1ccc(F)cc1F ZINC000371846017 499371032 /nfs/dbraw/zinc/37/10/32/499371032.db2.gz LFQJTKQJERXMCR-CVEARBPZSA-N 1 1 350.409 3.483 20 30 FGEDMO CCc1nc2c(s1)[C@@H]([N@H+](C)CC(=O)NCc1cccc(C#N)c1)CCC2 ZINC000372007737 499389272 /nfs/dbraw/zinc/38/92/72/499389272.db2.gz ZGBZTTGPWIUJHH-KRWDZBQOSA-N 1 1 368.506 3.203 20 30 FGEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(=O)NCc1cccc(C#N)c1)CCC2 ZINC000372007737 499389273 /nfs/dbraw/zinc/38/92/73/499389273.db2.gz ZGBZTTGPWIUJHH-KRWDZBQOSA-N 1 1 368.506 3.203 20 30 FGEDMO CC[N@@H+]([C@H]1CCOC(C)(C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582150722 506144790 /nfs/dbraw/zinc/14/47/90/506144790.db2.gz OXVLJTOFQOALMK-OALUTQOASA-N 1 1 355.482 3.333 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCO[C@H]3CCC[C@@H]32)c1C ZINC000369429483 499402488 /nfs/dbraw/zinc/40/24/88/499402488.db2.gz YDVVRPGXEIFQPD-PMACEKPBSA-N 1 1 355.482 3.194 20 30 FGEDMO 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FGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000416706904 500093130 /nfs/dbraw/zinc/09/31/30/500093130.db2.gz ZDBSQBOGBXKZJR-FXAWDEMLSA-N 1 1 354.498 3.213 20 30 FGEDMO C=CCN(C)CC[N@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000429710699 500128735 /nfs/dbraw/zinc/12/87/35/500128735.db2.gz YUWGOCZPBVYZEX-UHFFFAOYSA-N 1 1 374.554 3.267 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429718676 500130457 /nfs/dbraw/zinc/13/04/57/500130457.db2.gz SSZUCRYXEMFUKW-KRWDZBQOSA-N 1 1 365.481 3.068 20 30 FGEDMO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)[C@H]1C(=O)OC(C)(C)C ZINC000425526010 500133231 /nfs/dbraw/zinc/13/32/31/500133231.db2.gz VKLXXVVYQKMROA-DNVCBOLYSA-N 1 1 371.481 3.329 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H]1C(=O)OC(C)(C)C ZINC000425526010 500133234 /nfs/dbraw/zinc/13/32/34/500133234.db2.gz VKLXXVVYQKMROA-DNVCBOLYSA-N 1 1 371.481 3.329 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000425531474 500134468 /nfs/dbraw/zinc/13/44/68/500134468.db2.gz HMTCXFCIGFSASM-HNNXBMFYSA-N 1 1 358.463 3.034 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000425531474 500134475 /nfs/dbraw/zinc/13/44/75/500134475.db2.gz HMTCXFCIGFSASM-HNNXBMFYSA-N 1 1 358.463 3.034 20 30 FGEDMO COC(=O)c1sccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535153 500136233 /nfs/dbraw/zinc/13/62/33/500136233.db2.gz GULKAIYRLABYTI-GFCCVEGCSA-N 1 1 357.435 3.038 20 30 FGEDMO COC(=O)c1sccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535153 500136236 /nfs/dbraw/zinc/13/62/36/500136236.db2.gz GULKAIYRLABYTI-GFCCVEGCSA-N 1 1 357.435 3.038 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000425537725 500137314 /nfs/dbraw/zinc/13/73/14/500137314.db2.gz QVGNYIDDHWPVAZ-XJKSGUPXSA-N 1 1 353.388 3.352 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000425537725 500137318 /nfs/dbraw/zinc/13/73/18/500137318.db2.gz QVGNYIDDHWPVAZ-XJKSGUPXSA-N 1 1 353.388 3.352 20 30 FGEDMO CCOc1cccc(CNC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425542561 500139534 /nfs/dbraw/zinc/13/95/34/500139534.db2.gz YHKHWDLDNUFIAG-INIZCTEOSA-N 1 1 351.450 3.266 20 30 FGEDMO CCOc1cccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425542561 500139535 /nfs/dbraw/zinc/13/95/35/500139535.db2.gz YHKHWDLDNUFIAG-INIZCTEOSA-N 1 1 351.450 3.266 20 30 FGEDMO C=CCC1(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000425575259 500150637 /nfs/dbraw/zinc/15/06/37/500150637.db2.gz UYPLFLATBMWGKK-OALUTQOASA-N 1 1 356.510 3.481 20 30 FGEDMO C=CCN(C)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000430424073 500238898 /nfs/dbraw/zinc/23/88/98/500238898.db2.gz LGNLROWRLANPBW-UHFFFAOYSA-N 1 1 354.454 3.133 20 30 FGEDMO CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564358 506187769 /nfs/dbraw/zinc/18/77/69/506187769.db2.gz IIKSTRMTAYSITE-NRFANRHFSA-N 1 1 374.573 3.117 20 30 FGEDMO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564358 506187787 /nfs/dbraw/zinc/18/77/87/506187787.db2.gz IIKSTRMTAYSITE-NRFANRHFSA-N 1 1 374.573 3.117 20 30 FGEDMO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564358 506187791 /nfs/dbraw/zinc/18/77/91/506187791.db2.gz IIKSTRMTAYSITE-NRFANRHFSA-N 1 1 374.573 3.117 20 30 FGEDMO C=CCOc1cccc(C[NH2+]C2CCN(c3cc(C(=O)[O-])cc[nH+]3)CC2)c1 ZINC000426655272 500302269 /nfs/dbraw/zinc/30/22/69/500302269.db2.gz CPJPGAVLAFUOGC-UHFFFAOYSA-N 1 1 367.449 3.103 20 30 FGEDMO O[C@H]([C@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000426999557 500343384 /nfs/dbraw/zinc/34/33/84/500343384.db2.gz XJXZGHAJDJQAGU-ZIAGYGMSSA-N 1 1 351.290 3.445 20 30 FGEDMO O[C@H]([C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000426999557 500343386 /nfs/dbraw/zinc/34/33/86/500343386.db2.gz XJXZGHAJDJQAGU-ZIAGYGMSSA-N 1 1 351.290 3.445 20 30 FGEDMO C=CCC[C@@H]1NC(=O)N(Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000419916836 500406826 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N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c2ccccc21 ZINC000451702317 501355340 /nfs/dbraw/zinc/35/53/40/501355340.db2.gz IGGZURNTPHPYEN-KURKYZTESA-N 1 1 365.477 3.221 20 30 FGEDMO N#Cc1ccccc1CSCCNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000598962192 506248239 /nfs/dbraw/zinc/24/82/39/506248239.db2.gz DVWGOIYVUJYZSL-LJQANCHMSA-N 1 1 372.538 3.108 20 30 FGEDMO CC[C@H]1C[N@@H+](CC)CCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000451727810 501361481 /nfs/dbraw/zinc/36/14/81/501361481.db2.gz BXINHUKXVHGRKR-IRXDYDNUSA-N 1 1 374.554 3.293 20 30 FGEDMO CCOCC[N@@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1CC ZINC000455737316 501376038 /nfs/dbraw/zinc/37/60/38/501376038.db2.gz ZUEFGWPWCAOVOO-HXUWFJFHSA-N 1 1 371.525 3.086 20 30 FGEDMO CCOCC[N@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1CC ZINC000455737316 501376039 /nfs/dbraw/zinc/37/60/39/501376039.db2.gz ZUEFGWPWCAOVOO-HXUWFJFHSA-N 1 1 371.525 3.086 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[NH+](C)C ZINC000455757060 501379674 /nfs/dbraw/zinc/37/96/74/501379674.db2.gz OJUIDRLNQUROSE-INIZCTEOSA-N 1 1 373.844 3.040 20 30 FGEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455777164 501383992 /nfs/dbraw/zinc/38/39/92/501383992.db2.gz FRNLLTYWQHHDHD-CYBMUJFWSA-N 1 1 358.833 3.235 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000455778003 501384413 /nfs/dbraw/zinc/38/44/13/501384413.db2.gz GFWIMOYXYXMCQI-CJNGLKHVSA-N 1 1 369.856 3.391 20 30 FGEDMO CC(C)(C)Oc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1C#N ZINC000455804107 501389479 /nfs/dbraw/zinc/38/94/79/501389479.db2.gz VYVKNOJIAHTESF-KRWDZBQOSA-N 1 1 356.470 3.438 20 30 FGEDMO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)cc1 ZINC000451928594 501402712 /nfs/dbraw/zinc/40/27/12/501402712.db2.gz SDCBEERRIGZCPR-HXUWFJFHSA-N 1 1 369.415 3.318 20 30 FGEDMO CC(C)(CC#N)CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000458371016 501429640 /nfs/dbraw/zinc/42/96/40/501429640.db2.gz UJISYZNXNROTKS-UHFFFAOYSA-N 1 1 364.534 3.039 20 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501616984 /nfs/dbraw/zinc/61/69/84/501616984.db2.gz WLEWUHIRHOUIPD-UHFFFAOYSA-N 1 1 352.385 3.156 20 30 FGEDMO CC(C)(CC#N)CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000459242514 501618180 /nfs/dbraw/zinc/61/81/80/501618180.db2.gz RUPMMNMTCGYBNO-RBUKOAKNSA-N 1 1 354.498 3.090 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000454736128 501618667 /nfs/dbraw/zinc/61/86/67/501618667.db2.gz YMMQQSVOJXCXNI-INIZCTEOSA-N 1 1 350.422 3.424 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2)C1=O ZINC000459442386 501654685 /nfs/dbraw/zinc/65/46/85/501654685.db2.gz ZVYKNPLDWGROMW-AWEZNQCLSA-N 1 1 357.679 3.321 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(Br)c2)C1=O ZINC000459442386 501654686 /nfs/dbraw/zinc/65/46/86/501654686.db2.gz ZVYKNPLDWGROMW-AWEZNQCLSA-N 1 1 357.679 3.321 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000459474088 501659703 /nfs/dbraw/zinc/65/97/03/501659703.db2.gz YMQABTFKTRNEIB-NOLJZWGESA-N 1 1 364.287 3.078 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459567365 501678120 /nfs/dbraw/zinc/67/81/20/501678120.db2.gz ICCVHVDNLRRUJO-FQEVSTJZSA-N 1 1 350.466 3.260 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459567365 501678122 /nfs/dbraw/zinc/67/81/22/501678122.db2.gz ICCVHVDNLRRUJO-FQEVSTJZSA-N 1 1 350.466 3.260 20 30 FGEDMO C=CCOc1ccc(Br)cc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000459658243 501694052 /nfs/dbraw/zinc/69/40/52/501694052.db2.gz KBJGHJHIHWFCMJ-UHFFFAOYSA-N 1 1 368.275 3.183 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000457481162 501707166 /nfs/dbraw/zinc/70/71/66/501707166.db2.gz JPSZUJCHFFOFMV-GOSISDBHSA-N 1 1 374.847 3.453 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(C#N)c1C ZINC000459814845 501718101 /nfs/dbraw/zinc/71/81/01/501718101.db2.gz USWBITKRPAKKDU-AAEUAGOBSA-N 1 1 363.458 3.005 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)c(C#N)c1C ZINC000459814845 501718102 /nfs/dbraw/zinc/71/81/02/501718102.db2.gz USWBITKRPAKKDU-AAEUAGOBSA-N 1 1 363.458 3.005 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)(C)O ZINC000474168911 501728398 /nfs/dbraw/zinc/72/83/98/501728398.db2.gz ACNWZFRZUUCFMU-UHFFFAOYSA-N 1 1 363.527 3.310 20 30 FGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CNc1ccc(C#N)cc1 ZINC000470594203 501738895 /nfs/dbraw/zinc/73/88/95/501738895.db2.gz IRSRWANCHRUDEV-NRFANRHFSA-N 1 1 364.493 3.243 20 30 FGEDMO CCCN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CC[N@@H+](C)C1 ZINC000592832153 506271479 /nfs/dbraw/zinc/27/14/79/506271479.db2.gz RQGLWIXDYFFIMV-KRWDZBQOSA-N 1 1 367.449 3.287 20 30 FGEDMO COC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000467299745 501763686 /nfs/dbraw/zinc/76/36/86/501763686.db2.gz WKZQOWODXDQLLF-UONOGXRCSA-N 1 1 361.511 3.184 20 30 FGEDMO O=C(NCC#Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474326459 501790723 /nfs/dbraw/zinc/79/07/23/501790723.db2.gz LILCBVVJUSUFNP-NRFANRHFSA-N 1 1 350.437 3.348 20 30 FGEDMO O=C(NCC#Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474326459 501790727 /nfs/dbraw/zinc/79/07/27/501790727.db2.gz LILCBVVJUSUFNP-NRFANRHFSA-N 1 1 350.437 3.348 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1OC ZINC000467464283 501801047 /nfs/dbraw/zinc/80/10/47/501801047.db2.gz BWLKDYHTCGCIBU-UHFFFAOYSA-N 1 1 358.482 3.351 20 30 FGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470818456 501815703 /nfs/dbraw/zinc/81/57/03/501815703.db2.gz YLKNOLQILSGTGF-IRXDYDNUSA-N 1 1 362.449 3.198 20 30 FGEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470818456 501815707 /nfs/dbraw/zinc/81/57/07/501815707.db2.gz YLKNOLQILSGTGF-IRXDYDNUSA-N 1 1 362.449 3.198 20 30 FGEDMO C[N@H+](CC1CC1)C[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470975119 501879226 /nfs/dbraw/zinc/87/92/26/501879226.db2.gz MCOGYGUSABBLBY-INIZCTEOSA-N 1 1 374.916 3.204 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470975119 501879234 /nfs/dbraw/zinc/87/92/34/501879234.db2.gz MCOGYGUSABBLBY-INIZCTEOSA-N 1 1 374.916 3.204 20 30 FGEDMO Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)c(C)c1 ZINC000470993701 501884903 /nfs/dbraw/zinc/88/49/03/501884903.db2.gz LEYMLECICDVXOC-PMACEKPBSA-N 1 1 350.462 3.404 20 30 FGEDMO C=CCC1(CNC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCCC1 ZINC000459055007 501908165 /nfs/dbraw/zinc/90/81/65/501908165.db2.gz UIMKKCIFVDCXSF-UHFFFAOYSA-N 1 1 351.535 3.123 20 30 FGEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000481968883 501931049 /nfs/dbraw/zinc/93/10/49/501931049.db2.gz SUCLNFWWDURBFX-INIZCTEOSA-N 1 1 371.506 3.048 20 30 FGEDMO C[N@@H+](CCCOc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485815212 501948614 /nfs/dbraw/zinc/94/86/14/501948614.db2.gz MNDHQNWBKPQFQW-NRFANRHFSA-N 1 1 363.461 3.455 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000468251860 502006131 /nfs/dbraw/zinc/00/61/31/502006131.db2.gz QIEHJKFVABTYQK-MRXNPFEDSA-N 1 1 366.465 3.455 20 30 FGEDMO C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000592881092 506289652 /nfs/dbraw/zinc/28/96/52/506289652.db2.gz KIGSVLVRRFKIDY-MBDNFAEBSA-N 1 1 359.473 3.123 20 30 FGEDMO C=CCOc1ccccc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000475094478 502055133 /nfs/dbraw/zinc/05/51/33/502055133.db2.gz QMEJVTIFMTUNFI-ICSRJNTNSA-N 1 1 372.488 3.029 20 30 FGEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000486177421 502073270 /nfs/dbraw/zinc/07/32/70/502073270.db2.gz QVTWUFONLOIMFM-KDOFPFPSSA-N 1 1 367.424 3.413 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCS[C@@H](C(C)C)C2)c(OC)c1 ZINC000464775403 502090728 /nfs/dbraw/zinc/09/07/28/502090728.db2.gz QTGPVWPAIPYSOZ-FXAWDEMLSA-N 1 1 365.539 3.237 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000464823926 502108196 /nfs/dbraw/zinc/10/81/96/502108196.db2.gz SOVBAILYQALVNV-NRSPTQNISA-N 1 1 354.425 3.337 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000464823926 502108198 /nfs/dbraw/zinc/10/81/98/502108198.db2.gz SOVBAILYQALVNV-NRSPTQNISA-N 1 1 354.425 3.337 20 30 FGEDMO C=C(C)[C@H](CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)OCC ZINC000461446696 502118417 /nfs/dbraw/zinc/11/84/17/502118417.db2.gz DWMBFILLMJTXNP-ACRUOGEOSA-N 1 1 356.510 3.338 20 30 FGEDMO COc1ccc(C[N@H+](CCCC(C)(C)C#N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000471726443 502120203 /nfs/dbraw/zinc/12/02/03/502120203.db2.gz NZVXZTPONZZTCH-QGZVFWFLSA-N 1 1 364.511 3.014 20 30 FGEDMO COc1ccc(C[N@@H+](CCCC(C)(C)C#N)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000471726443 502120208 /nfs/dbraw/zinc/12/02/08/502120208.db2.gz NZVXZTPONZZTCH-QGZVFWFLSA-N 1 1 364.511 3.014 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475312202 502129094 /nfs/dbraw/zinc/12/90/94/502129094.db2.gz BDLIJDWZVIULHR-XLIONFOSSA-N 1 1 363.461 3.058 20 30 FGEDMO Cc1cc(NC[C@@H]2CCO[C@H](C)C2)c(C#N)c(NC[C@@H]2CCO[C@H](C)C2)[nH+]1 ZINC000596182142 506296453 /nfs/dbraw/zinc/29/64/53/506296453.db2.gz OPCZWWLUFBFUDV-BRSBDYLESA-N 1 1 372.513 3.138 20 30 FGEDMO C[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000461903553 502230171 /nfs/dbraw/zinc/23/01/71/502230171.db2.gz VAGYDVUXXVGZNF-GJZGRUSLSA-N 1 1 353.491 3.286 20 30 FGEDMO C[C@@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000461903553 502230174 /nfs/dbraw/zinc/23/01/74/502230174.db2.gz VAGYDVUXXVGZNF-GJZGRUSLSA-N 1 1 353.491 3.286 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCC[C@@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC000461970575 502258282 /nfs/dbraw/zinc/25/82/82/502258282.db2.gz VYBKNMMANQUBOK-VBSBHUPXSA-N 1 1 354.498 3.373 20 30 FGEDMO COc1ccc(CN2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc1F ZINC000486795950 502264515 /nfs/dbraw/zinc/26/45/15/502264515.db2.gz FNOHDRZHLCNBBF-UHFFFAOYSA-N 1 1 353.441 3.332 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000483081858 502265605 /nfs/dbraw/zinc/26/56/05/502265605.db2.gz BDXNOZDGMMSQPC-UKRRQHHQSA-N 1 1 374.403 3.021 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1F ZINC000483083591 502266181 /nfs/dbraw/zinc/26/61/81/502266181.db2.gz CEZAQJYVTOQUSE-HNNXBMFYSA-N 1 1 354.303 3.419 20 30 FGEDMO CC[N@H+]1CC[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)[C@@H](C)C1 ZINC000469154400 502316834 /nfs/dbraw/zinc/31/68/34/502316834.db2.gz XNXPYKQSUYEZFC-LPHOPBHVSA-N 1 1 354.498 3.412 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462259560 502370595 /nfs/dbraw/zinc/37/05/95/502370595.db2.gz NOYWYRPYQDSFSH-HNAYVOBHSA-N 1 1 364.449 3.209 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000462272542 502375727 /nfs/dbraw/zinc/37/57/27/502375727.db2.gz PFVREYTUKODKPB-LIRRHRJNSA-N 1 1 352.413 3.339 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000462272540 502375998 /nfs/dbraw/zinc/37/59/98/502375998.db2.gz PFVREYTUKODKPB-IFXJQAMLSA-N 1 1 352.413 3.339 20 30 FGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000465892365 502417969 /nfs/dbraw/zinc/41/79/69/502417969.db2.gz RKBVFRYERKMEAN-HNNXBMFYSA-N 1 1 360.477 3.397 20 30 FGEDMO Cn1ncc(C#N)c1NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000596212439 506312815 /nfs/dbraw/zinc/31/28/15/506312815.db2.gz GWLUVLLUUSKDGB-UHFFFAOYSA-N 1 1 362.437 3.023 20 30 FGEDMO CCOC(=O)c1c[nH+]ccc1N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000479992707 502439239 /nfs/dbraw/zinc/43/92/39/502439239.db2.gz PKJJSHGFJGNROM-UHFFFAOYSA-N 1 1 351.406 3.178 20 30 FGEDMO C[C@H](NC(=O)NCc1ccc(CC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582603119 506321109 /nfs/dbraw/zinc/32/11/09/506321109.db2.gz MTFGIZDEVJWJLB-LPHOPBHVSA-N 1 1 354.498 3.205 20 30 FGEDMO C=C(C)[C@H](CC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)OCC ZINC000469857492 502570511 /nfs/dbraw/zinc/57/05/11/502570511.db2.gz ZEKNCUPNIFWNLU-MOPGFXCFSA-N 1 1 362.539 3.092 20 30 FGEDMO C=CCn1cccc1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000469867853 502576530 /nfs/dbraw/zinc/57/65/30/502576530.db2.gz WCHTXJXGEBSDDF-GOSISDBHSA-N 1 1 355.507 3.022 20 30 FGEDMO C=CCn1cccc1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000469867853 502576536 /nfs/dbraw/zinc/57/65/36/502576536.db2.gz WCHTXJXGEBSDDF-GOSISDBHSA-N 1 1 355.507 3.022 20 30 FGEDMO C=CCCC1(C(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000469984288 502617513 /nfs/dbraw/zinc/61/75/13/502617513.db2.gz KBOHUYNLQGQHBZ-FQEVSTJZSA-N 1 1 355.526 3.228 20 30 FGEDMO C=CCCC1(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000469984288 502617517 /nfs/dbraw/zinc/61/75/17/502617517.db2.gz KBOHUYNLQGQHBZ-FQEVSTJZSA-N 1 1 355.526 3.228 20 30 FGEDMO C=CCCC1(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000469984288 502617520 /nfs/dbraw/zinc/61/75/20/502617520.db2.gz KBOHUYNLQGQHBZ-FQEVSTJZSA-N 1 1 355.526 3.228 20 30 FGEDMO CC[C@@H](OCC[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000592996333 506326127 /nfs/dbraw/zinc/32/61/27/506326127.db2.gz DLVWUTLRORYTBB-HXUWFJFHSA-N 1 1 350.466 3.243 20 30 FGEDMO N#Cc1csc(C[N@@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488394613 502702618 /nfs/dbraw/zinc/70/26/18/502702618.db2.gz HJECSYSUHSBCJU-UHFFFAOYSA-N 1 1 351.269 3.377 20 30 FGEDMO N#Cc1csc(C[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488394613 502702619 /nfs/dbraw/zinc/70/26/19/502702619.db2.gz HJECSYSUHSBCJU-UHFFFAOYSA-N 1 1 351.269 3.377 20 30 FGEDMO N#Cc1ccc(SCC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484846786 502753523 /nfs/dbraw/zinc/75/35/23/502753523.db2.gz LMGCEJNKDZNJDR-IBGZPJMESA-N 1 1 365.502 3.431 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467042188 502768212 /nfs/dbraw/zinc/76/82/12/502768212.db2.gz ZZFPSMPSEBKTIW-ZWOKBUDYSA-N 1 1 363.461 3.105 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467115787 502791038 /nfs/dbraw/zinc/79/10/38/502791038.db2.gz IXIXBGMBHCVHFH-YJBOKZPZSA-N 1 1 364.449 3.351 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H](COC)C2)cc1 ZINC000467119037 502792309 /nfs/dbraw/zinc/79/23/09/502792309.db2.gz QFPPZTMOXVBQAV-SFHVURJKSA-N 1 1 373.497 3.080 20 30 FGEDMO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000481239858 502794911 /nfs/dbraw/zinc/79/49/11/502794911.db2.gz RBTBQVBXXGFAPU-CTNGQTDRSA-N 1 1 364.445 3.378 20 30 FGEDMO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000481239858 502794915 /nfs/dbraw/zinc/79/49/15/502794915.db2.gz RBTBQVBXXGFAPU-CTNGQTDRSA-N 1 1 364.445 3.378 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000467130329 502796245 /nfs/dbraw/zinc/79/62/45/502796245.db2.gz GUWWEBNCRJRBGI-HZPDHXFCSA-N 1 1 361.511 3.378 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000509095703 502820399 /nfs/dbraw/zinc/82/03/99/502820399.db2.gz OYIRHFWLHFAXPW-KRWDZBQOSA-N 1 1 374.916 3.125 20 30 FGEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000504980321 502834573 /nfs/dbraw/zinc/83/45/73/502834573.db2.gz VRVRDLMRYPLMIQ-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000504980321 502834577 /nfs/dbraw/zinc/83/45/77/502834577.db2.gz VRVRDLMRYPLMIQ-UHFFFAOYSA-N 1 1 351.425 3.354 20 30 FGEDMO Cc1ccc(F)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1F ZINC000500728787 502849577 /nfs/dbraw/zinc/84/95/77/502849577.db2.gz ICBGJCMSUXTKAA-UHFFFAOYSA-N 1 1 369.415 3.493 20 30 FGEDMO Cc1ccc(F)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1F ZINC000500728787 502849581 /nfs/dbraw/zinc/84/95/81/502849581.db2.gz ICBGJCMSUXTKAA-UHFFFAOYSA-N 1 1 369.415 3.493 20 30 FGEDMO C[N@@H+](CCCNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C1CCCCC1 ZINC000505223854 502872845 /nfs/dbraw/zinc/87/28/45/502872845.db2.gz MAIOHTPPQIKJIV-UHFFFAOYSA-N 1 1 357.473 3.500 20 30 FGEDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000513199561 502876385 /nfs/dbraw/zinc/87/63/85/502876385.db2.gz ANQMMSWGGGPDFT-INIZCTEOSA-N 1 1 368.399 3.317 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000513371298 502917597 /nfs/dbraw/zinc/91/75/97/502917597.db2.gz NNXCXJAXFHBSQE-ZWKOTPCHSA-N 1 1 360.498 3.352 20 30 FGEDMO CCc1ccc([C@@H]2CN(C(=O)[C@H](C)Oc3ccccc3C#N)CC[NH2+]2)cc1 ZINC000505543943 502932457 /nfs/dbraw/zinc/93/24/57/502932457.db2.gz WZIPDNIQWCMOAM-JXFKEZNVSA-N 1 1 363.461 3.061 20 30 FGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000489396410 502947017 /nfs/dbraw/zinc/94/70/17/502947017.db2.gz DHXVFHFXESBSDB-LBPRGKRZSA-N 1 1 355.364 3.082 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000489396410 502947018 /nfs/dbraw/zinc/94/70/18/502947018.db2.gz DHXVFHFXESBSDB-LBPRGKRZSA-N 1 1 355.364 3.082 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000489446723 502960656 /nfs/dbraw/zinc/96/06/56/502960656.db2.gz ITRISKFCFBUQRH-LSDHHAIUSA-N 1 1 358.251 3.368 20 30 FGEDMO N#Cc1ccc(C2CC[NH+](CC(=O)NC3(c4ccccc4)CCC3)CC2)nc1 ZINC000602908628 506346133 /nfs/dbraw/zinc/34/61/33/506346133.db2.gz DYVQDSOTDGEEEV-UHFFFAOYSA-N 1 1 374.488 3.328 20 30 FGEDMO C=CCCCS(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000489699523 503013951 /nfs/dbraw/zinc/01/39/51/503013951.db2.gz LUFHNJGGDINDGC-VQTJNVASSA-N 1 1 362.539 3.269 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911663 506348200 /nfs/dbraw/zinc/34/82/00/506348200.db2.gz HQMXZFPPGLHPIM-OAHLLOKOSA-N 1 1 359.433 3.032 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910613 506348323 /nfs/dbraw/zinc/34/83/23/506348323.db2.gz FDNRITSJIXKYHQ-CQSZACIVSA-N 1 1 352.413 3.299 20 30 FGEDMO CC[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C[C@H](C)O ZINC000510103850 503049469 /nfs/dbraw/zinc/04/94/69/503049469.db2.gz JUJYZNDUFIJUMV-INIZCTEOSA-N 1 1 354.450 3.349 20 30 FGEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C ZINC000506183585 503065208 /nfs/dbraw/zinc/06/52/08/503065208.db2.gz RONQGDGCLUYIMP-OXJNMPFZSA-N 1 1 365.518 3.019 20 30 FGEDMO N#Cc1ccc(C2CC[NH+](CC(=O)NCc3cccc(Cl)c3)CC2)nc1 ZINC000602912665 506350008 /nfs/dbraw/zinc/35/00/08/506350008.db2.gz PDOWYEBSTFLDEZ-UHFFFAOYSA-N 1 1 368.868 3.102 20 30 FGEDMO C=CCNC(=O)c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nc1 ZINC000514083162 503082776 /nfs/dbraw/zinc/08/27/76/503082776.db2.gz KGZULQVNPQLGLM-IBGZPJMESA-N 1 1 350.466 3.074 20 30 FGEDMO C=C(C)COCCNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510303094 503088621 /nfs/dbraw/zinc/08/86/21/503088621.db2.gz QMQMKHOPMMOYMC-ICSRJNTNSA-N 1 1 359.514 3.179 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506527711 503131732 /nfs/dbraw/zinc/13/17/32/503131732.db2.gz PWEPAKMISIYOMN-MRXNPFEDSA-N 1 1 357.473 3.357 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510749163 503185495 /nfs/dbraw/zinc/18/54/95/503185495.db2.gz FLRWETTUQUCILR-DLBZAZTESA-N 1 1 374.529 3.453 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510749163 503185496 /nfs/dbraw/zinc/18/54/96/503185496.db2.gz FLRWETTUQUCILR-DLBZAZTESA-N 1 1 374.529 3.453 20 30 FGEDMO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(=O)N1CCCC1 ZINC000611908903 506357407 /nfs/dbraw/zinc/35/74/07/506357407.db2.gz QMKYHVQSIUHBEI-UHFFFAOYSA-N 1 1 361.489 3.441 20 30 FGEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(=O)N1CCCC1 ZINC000611908903 506357415 /nfs/dbraw/zinc/35/74/15/506357415.db2.gz QMKYHVQSIUHBEI-UHFFFAOYSA-N 1 1 361.489 3.441 20 30 FGEDMO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502506454 503213064 /nfs/dbraw/zinc/21/30/64/503213064.db2.gz KNCAFRNKYMDNTD-INIZCTEOSA-N 1 1 363.436 3.491 20 30 FGEDMO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502506454 503213069 /nfs/dbraw/zinc/21/30/69/503213069.db2.gz KNCAFRNKYMDNTD-INIZCTEOSA-N 1 1 363.436 3.491 20 30 FGEDMO Cc1ccccc1[C@]1(F)CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000502943514 503312779 /nfs/dbraw/zinc/31/27/79/503312779.db2.gz IATBNIZXHZUNNV-NQIIRXRSSA-N 1 1 354.425 3.177 20 30 FGEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000502943514 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/nfs/dbraw/zinc/30/63/26/504306326.db2.gz ZWLBEVFQHPFXGE-UHFFFAOYSA-N 1 1 354.429 3.040 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CO[C@H](C)Cc1[nH]cc[nH+]1 ZINC000542101956 504364044 /nfs/dbraw/zinc/36/40/44/504364044.db2.gz HJIFZPCBTUPSNU-ZIAGYGMSSA-N 1 1 358.467 3.248 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000519904085 504379057 /nfs/dbraw/zinc/37/90/57/504379057.db2.gz RYLAWFZNEOYTTN-FQEVSTJZSA-N 1 1 351.425 3.021 20 30 FGEDMO CC[C@@H](Nc1nccc(C)c1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000542210545 504407906 /nfs/dbraw/zinc/40/79/06/504407906.db2.gz BXRXQVNBAQUOHV-WOJBJXKFSA-N 1 1 350.466 3.353 20 30 FGEDMO CC[C@@H](Nc1nccc(C)c1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000542210545 504407911 /nfs/dbraw/zinc/40/79/11/504407911.db2.gz BXRXQVNBAQUOHV-WOJBJXKFSA-N 1 1 350.466 3.353 20 30 FGEDMO CCc1nnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c(C#N)c1CC ZINC000520221328 504439869 /nfs/dbraw/zinc/43/98/69/504439869.db2.gz LTIMGBFHGVTQQI-LAUBAEHRSA-N 1 1 361.493 3.184 20 30 FGEDMO C[N@@H+](CCCOc1cccc(C(C)(C)C)c1)CCCc1[nH]nc(N)c1C#N ZINC000535544906 504466007 /nfs/dbraw/zinc/46/60/07/504466007.db2.gz AUZIYFMVEVQDEX-UHFFFAOYSA-N 1 1 369.513 3.325 20 30 FGEDMO N#Cc1cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)ccc1F ZINC000520571822 504531418 /nfs/dbraw/zinc/53/14/18/504531418.db2.gz QSOOVTAJEGSTOA-OXJNMPFZSA-N 1 1 364.424 3.436 20 30 FGEDMO Cc1cc(Cl)cc(C)c1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000535821074 504555857 /nfs/dbraw/zinc/55/58/57/504555857.db2.gz JTYHORZQCARCCS-HNNXBMFYSA-N 1 1 355.873 3.329 20 30 FGEDMO Cc1cc(Cl)cc(C)c1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000535821074 504555861 /nfs/dbraw/zinc/55/58/61/504555861.db2.gz JTYHORZQCARCCS-HNNXBMFYSA-N 1 1 355.873 3.329 20 30 FGEDMO C=CCCOCCCCC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539397200 504556203 /nfs/dbraw/zinc/55/62/03/504556203.db2.gz VVQVENWEWZMXCJ-KDURUIRLSA-N 1 1 366.546 3.097 20 30 FGEDMO COc1cc2c(cc1C[NH+]1CCC(C#N)(c3ccccn3)CC1)O[C@H](C)C2 ZINC000548791634 504569029 /nfs/dbraw/zinc/56/90/29/504569029.db2.gz ILOSCQOKNYRLIW-MRXNPFEDSA-N 1 1 363.461 3.471 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1C#N ZINC000542802593 504616192 /nfs/dbraw/zinc/61/61/92/504616192.db2.gz DLUYJMGJLRKJGV-MRXNPFEDSA-N 1 1 350.418 3.246 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1C#N ZINC000542802593 504616198 /nfs/dbraw/zinc/61/61/98/504616198.db2.gz DLUYJMGJLRKJGV-MRXNPFEDSA-N 1 1 350.418 3.246 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532381227 504630598 /nfs/dbraw/zinc/63/05/98/504630598.db2.gz YESNCASGOHHOQV-SJORKVTESA-N 1 1 352.519 3.243 20 30 FGEDMO C[C@@H](C#N)CNC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000542881221 504646122 /nfs/dbraw/zinc/64/61/22/504646122.db2.gz OSVPLHRJKDEMDD-ZDUSSCGKSA-N 1 1 368.403 3.129 20 30 FGEDMO C=CCN1CC[C@H]([NH2+][C@H](c2ccc(OC)cc2)c2ccccc2OC)C1=O ZINC000539711417 504662506 /nfs/dbraw/zinc/66/25/06/504662506.db2.gz MXXIBWOAJMUPHR-PZJWPPBQSA-N 1 1 366.461 3.170 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000532493121 504669065 /nfs/dbraw/zinc/66/90/65/504669065.db2.gz DCLBRJNJSQUKGJ-DYVFJYSZSA-N 1 1 366.303 3.324 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1 ZINC000532493121 504669069 /nfs/dbraw/zinc/66/90/69/504669069.db2.gz DCLBRJNJSQUKGJ-DYVFJYSZSA-N 1 1 366.303 3.324 20 30 FGEDMO C[C@H](Cc1[nH]cc[nH+]1)OCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000543030657 504696258 /nfs/dbraw/zinc/69/62/58/504696258.db2.gz WIXYDEUQBUUBQG-ZIAGYGMSSA-N 1 1 358.467 3.390 20 30 FGEDMO N#CC1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccncc2)CCC1 ZINC000529495785 504698480 /nfs/dbraw/zinc/69/84/80/504698480.db2.gz MQUWUNJTCKOCFQ-LEWJYISDSA-N 1 1 374.488 3.107 20 30 FGEDMO CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000532589594 504703735 /nfs/dbraw/zinc/70/37/35/504703735.db2.gz YTXSKISQHKEKOZ-PBHICJAKSA-N 1 1 362.905 3.345 20 30 FGEDMO CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000532589594 504703739 /nfs/dbraw/zinc/70/37/39/504703739.db2.gz YTXSKISQHKEKOZ-PBHICJAKSA-N 1 1 362.905 3.345 20 30 FGEDMO CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000532589594 504703742 /nfs/dbraw/zinc/70/37/42/504703742.db2.gz YTXSKISQHKEKOZ-PBHICJAKSA-N 1 1 362.905 3.345 20 30 FGEDMO C=CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831259 504707975 /nfs/dbraw/zinc/70/79/75/504707975.db2.gz GGECHOSSQUEJSL-OAHLLOKOSA-N 1 1 365.485 3.432 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000536371297 504714383 /nfs/dbraw/zinc/71/43/83/504714383.db2.gz QRLLWMAOZXNRBX-QUCCMNQESA-N 1 1 353.853 3.316 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000536371297 504714388 /nfs/dbraw/zinc/71/43/88/504714388.db2.gz QRLLWMAOZXNRBX-QUCCMNQESA-N 1 1 353.853 3.316 20 30 FGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000532625671 504715453 /nfs/dbraw/zinc/71/54/53/504715453.db2.gz HSSGQBMWOQHIKH-LSDHHAIUSA-N 1 1 356.495 3.236 20 30 FGEDMO Cn1nccc1[C@H]1CCCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000532887534 504771380 /nfs/dbraw/zinc/77/13/80/504771380.db2.gz LHKNFBPKYUEFLH-WOJBJXKFSA-N 1 1 363.465 3.014 20 30 FGEDMO Cn1nccc1[C@H]1CCCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000532887534 504771381 /nfs/dbraw/zinc/77/13/81/504771381.db2.gz LHKNFBPKYUEFLH-WOJBJXKFSA-N 1 1 363.465 3.014 20 30 FGEDMO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC000562568010 504861949 /nfs/dbraw/zinc/86/19/49/504861949.db2.gz KEAPJEWPJGGHCQ-QUCCMNQESA-N 1 1 361.445 3.435 20 30 FGEDMO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000549685424 504873335 /nfs/dbraw/zinc/87/33/35/504873335.db2.gz KVQXRTOYLQAAOP-SFHVURJKSA-N 1 1 371.529 3.401 20 30 FGEDMO C[C@@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@H+](C2CCC2)C1 ZINC000553524042 504939414 /nfs/dbraw/zinc/93/94/14/504939414.db2.gz DWPJLBMDNGLKTE-HNNXBMFYSA-N 1 1 355.457 3.062 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000550009762 504951466 /nfs/dbraw/zinc/95/14/66/504951466.db2.gz BNNXVQHMDNJMGH-GOSISDBHSA-N 1 1 355.825 3.303 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000550009762 504951469 /nfs/dbraw/zinc/95/14/69/504951469.db2.gz BNNXVQHMDNJMGH-GOSISDBHSA-N 1 1 355.825 3.303 20 30 FGEDMO COCc1ccccc1/C=C(/C)C[NH+]1CCN(c2cnccc2C#N)CC1 ZINC000556876344 505002980 /nfs/dbraw/zinc/00/29/80/505002980.db2.gz JVMBHAXHUVNKPZ-AQTBWJFISA-N 1 1 362.477 3.325 20 30 FGEDMO C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)[N@@H+]1CCc2sccc2C1 ZINC000563036444 505028545 /nfs/dbraw/zinc/02/85/45/505028545.db2.gz YFTBSDZNRZZLPB-HNNXBMFYSA-N 1 1 360.527 3.220 20 30 FGEDMO C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)[N@H+]1CCc2sccc2C1 ZINC000563036444 505028551 /nfs/dbraw/zinc/02/85/51/505028551.db2.gz YFTBSDZNRZZLPB-HNNXBMFYSA-N 1 1 360.527 3.220 20 30 FGEDMO Cc1oc(C(C)C)nc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000556971345 505035316 /nfs/dbraw/zinc/03/53/16/505035316.db2.gz CCLMWIYKSJJOQJ-UHFFFAOYSA-N 1 1 366.465 3.395 20 30 FGEDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000553928592 505045448 /nfs/dbraw/zinc/04/54/48/505045448.db2.gz VMDQOYOKXBEBJV-AWEZNQCLSA-N 1 1 355.404 3.330 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000550571955 505066725 /nfs/dbraw/zinc/06/67/25/505066725.db2.gz WAVOVKUFEOYDOO-MRXNPFEDSA-N 1 1 356.514 3.255 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000560493794 505103387 /nfs/dbraw/zinc/10/33/87/505103387.db2.gz KLZWWLDORYVFHT-BHDDXSALSA-N 1 1 359.473 3.443 20 30 FGEDMO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000554254664 505126403 /nfs/dbraw/zinc/12/64/03/505126403.db2.gz WXAURSNIQIUMLR-FQEVSTJZSA-N 1 1 365.477 3.325 20 30 FGEDMO N#CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000557480156 505146348 /nfs/dbraw/zinc/14/63/48/505146348.db2.gz MAJAIWIUVAPFJS-UHFFFAOYSA-N 1 1 355.438 3.292 20 30 FGEDMO CN(C(=O)c1ccc(NCc2cc(C#N)cs2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000551091255 505155931 /nfs/dbraw/zinc/15/59/31/505155931.db2.gz OITRCJHKCZDOFX-GOSISDBHSA-N 1 1 368.506 3.398 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000557653802 505194931 /nfs/dbraw/zinc/19/49/31/505194931.db2.gz VMBSNTPYXYKNEO-NSHGMRRFSA-N 1 1 371.525 3.017 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551314651 505199024 /nfs/dbraw/zinc/19/90/24/505199024.db2.gz ZWRFFGFBZLRNOB-RBUKOAKNSA-N 1 1 363.465 3.201 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C#N)c1C ZINC000566543648 505200965 /nfs/dbraw/zinc/20/09/65/505200965.db2.gz QKZUCQIZYQSVRT-OIISXLGYSA-N 1 1 361.511 3.191 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(C#N)c1C ZINC000566543648 505200967 /nfs/dbraw/zinc/20/09/67/505200967.db2.gz QKZUCQIZYQSVRT-OIISXLGYSA-N 1 1 361.511 3.191 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)ccc1OC ZINC000551333222 505202927 /nfs/dbraw/zinc/20/29/27/505202927.db2.gz VGFKRUCZNGGWPA-QGZVFWFLSA-N 1 1 368.481 3.232 20 30 FGEDMO C[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)C[C@H]1Cc1ccccc1 ZINC000557741389 505218060 /nfs/dbraw/zinc/21/80/60/505218060.db2.gz FDDPHEHXCWBWEH-OAHLLOKOSA-N 1 1 360.383 3.335 20 30 FGEDMO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000551412626 505220648 /nfs/dbraw/zinc/22/06/48/505220648.db2.gz ZHGAVHTWOJOWHH-UHFFFAOYSA-N 1 1 370.796 3.337 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000566842395 505288736 /nfs/dbraw/zinc/28/87/36/505288736.db2.gz OOINCTRIPOKPJI-VQTJNVASSA-N 1 1 361.445 3.435 20 30 FGEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000566855778 505292163 /nfs/dbraw/zinc/29/21/63/505292163.db2.gz ACOQBXXNHZLSSM-LJQANCHMSA-N 1 1 351.429 3.439 20 30 FGEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000558061254 505299240 /nfs/dbraw/zinc/29/92/40/505299240.db2.gz FPQHBJNKONRZEN-AVRDEDQJSA-N 1 1 366.461 3.316 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000558146481 505320095 /nfs/dbraw/zinc/32/00/95/505320095.db2.gz HPVKABFDIRQDJZ-WFXMLNOXSA-N 1 1 357.498 3.219 20 30 FGEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000567156992 505380043 /nfs/dbraw/zinc/38/00/43/505380043.db2.gz HZKJZGSPCOWUEU-HNNXBMFYSA-N 1 1 369.431 3.477 20 30 FGEDMO N#Cc1cc(Br)ccc1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000567189161 505389297 /nfs/dbraw/zinc/38/92/97/505389297.db2.gz OFYHHAPKMZHSMK-UHFFFAOYSA-N 1 1 372.266 3.198 20 30 FGEDMO N#Cc1cc(Br)ccc1C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000567189161 505389300 /nfs/dbraw/zinc/38/93/00/505389300.db2.gz OFYHHAPKMZHSMK-UHFFFAOYSA-N 1 1 372.266 3.198 20 30 FGEDMO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)ccc1I ZINC000564412762 505412313 /nfs/dbraw/zinc/41/23/13/505412313.db2.gz BMAYNPGLHYRMOC-UHFFFAOYSA-N 1 1 369.231 3.218 20 30 FGEDMO C=CCC1(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCCC1 ZINC000567453328 505467950 /nfs/dbraw/zinc/46/79/50/505467950.db2.gz KTELMEQZNWHYCP-UHFFFAOYSA-N 1 1 355.482 3.149 20 30 FGEDMO CCOC1CC([N@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000561918275 505468018 /nfs/dbraw/zinc/46/80/18/505468018.db2.gz RUINZFILTCAJDP-UHFFFAOYSA-N 1 1 361.511 3.326 20 30 FGEDMO CCOC1CC([N@@H+](C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000561918275 505468022 /nfs/dbraw/zinc/46/80/22/505468022.db2.gz RUINZFILTCAJDP-UHFFFAOYSA-N 1 1 361.511 3.326 20 30 FGEDMO C[C@H](O)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000567507675 505483747 /nfs/dbraw/zinc/48/37/47/505483747.db2.gz LHGCXAHAYIOZOO-AOMKIAJQSA-N 1 1 367.468 3.373 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000555704418 505494259 /nfs/dbraw/zinc/49/42/59/505494259.db2.gz BPMMBZRCJVQAOG-GOSISDBHSA-N 1 1 372.513 3.074 20 30 FGEDMO N#CC(CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000567602721 505511411 /nfs/dbraw/zinc/51/14/11/505511411.db2.gz NWBCISFROHBFNU-YUXAGFNASA-N 1 1 373.500 3.472 20 30 FGEDMO CC[C@@H]1C[N@@H+](C)CCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000567724558 505550115 /nfs/dbraw/zinc/55/01/15/505550115.db2.gz JDEHMHLZJMIRRL-HUUCEWRRSA-N 1 1 374.554 3.099 20 30 FGEDMO CC[C@@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000567724558 505550119 /nfs/dbraw/zinc/55/01/19/505550119.db2.gz JDEHMHLZJMIRRL-HUUCEWRRSA-N 1 1 374.554 3.099 20 30 FGEDMO CC[C@@H]1CN(C)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000567724558 505550122 /nfs/dbraw/zinc/55/01/22/505550122.db2.gz JDEHMHLZJMIRRL-HUUCEWRRSA-N 1 1 374.554 3.099 20 30 FGEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599262945 506389353 /nfs/dbraw/zinc/38/93/53/506389353.db2.gz CHHQLONXYYHNSQ-INIZCTEOSA-N 1 1 356.388 3.209 20 30 FGEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599262946 506390170 /nfs/dbraw/zinc/39/01/70/506390170.db2.gz CHHQLONXYYHNSQ-MRXNPFEDSA-N 1 1 356.388 3.209 20 30 FGEDMO COc1ccc(C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)[C@@H](C)C2CC2)cc1 ZINC000599270875 506391943 /nfs/dbraw/zinc/39/19/43/506391943.db2.gz REUBAABWJBQURV-FXAWDEMLSA-N 1 1 372.509 3.367 20 30 FGEDMO COc1c(C)cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C#N)cc1C ZINC000599279742 506395778 /nfs/dbraw/zinc/39/57/78/506395778.db2.gz UOUWTDDXMOGFTB-LJQANCHMSA-N 1 1 354.450 3.055 20 30 FGEDMO C=CCn1c(CC(C)C)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000582755084 506399311 /nfs/dbraw/zinc/39/93/11/506399311.db2.gz VUUKZHYTCAQDRC-LJQANCHMSA-N 1 1 353.514 3.373 20 30 FGEDMO N#Cc1ccccc1OC[C@@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000599295425 506400829 /nfs/dbraw/zinc/40/08/29/506400829.db2.gz LUIDSIZDRYAJBC-FQEVSTJZSA-N 1 1 354.425 3.144 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)C12CCCCC2 ZINC000599299032 506400976 /nfs/dbraw/zinc/40/09/76/506400976.db2.gz FDGSKMLOIWSLTE-GUDVDZBRSA-N 1 1 364.530 3.117 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCc2ccc(F)cc21 ZINC000593115025 506402300 /nfs/dbraw/zinc/40/23/00/506402300.db2.gz GCDUAAJKUPZGSH-UZLBHIALSA-N 1 1 368.452 3.293 20 30 FGEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@H](O)CC2(C#N)CCOCC2)c1 ZINC000599363719 506429429 /nfs/dbraw/zinc/42/94/29/506429429.db2.gz YLHJYDRPMGYZGR-POAQFYNOSA-N 1 1 358.482 3.149 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)CCOCC1 ZINC000599392537 506437899 /nfs/dbraw/zinc/43/78/99/506437899.db2.gz UPXUFGOHFLXLHP-OAHLLOKOSA-N 1 1 350.409 3.001 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)CCOCC1 ZINC000599392537 506437908 /nfs/dbraw/zinc/43/79/08/506437908.db2.gz UPXUFGOHFLXLHP-OAHLLOKOSA-N 1 1 350.409 3.001 20 30 FGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3C[C@@H](O)CC3(C#N)CCOCC3)nc2c1 ZINC000599417664 506447906 /nfs/dbraw/zinc/44/79/06/506447906.db2.gz PUDWQPIHHYSHPX-LPHOPBHVSA-N 1 1 368.481 3.080 20 30 FGEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]3C[C@@H](O)CC3(C#N)CCOCC3)[nH]c2c1 ZINC000599417664 506447913 /nfs/dbraw/zinc/44/79/13/506447913.db2.gz PUDWQPIHHYSHPX-LPHOPBHVSA-N 1 1 368.481 3.080 20 30 FGEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]3C[C@@H](O)CC3(C#N)CCOCC3)[nH]c2c1 ZINC000599417664 506447916 /nfs/dbraw/zinc/44/79/16/506447916.db2.gz PUDWQPIHHYSHPX-LPHOPBHVSA-N 1 1 368.481 3.080 20 30 FGEDMO CCCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCCC[C@H]1OC ZINC000599433741 506454870 /nfs/dbraw/zinc/45/48/70/506454870.db2.gz YFTPSNLVPYMTTK-GUDVDZBRSA-N 1 1 352.519 3.117 20 30 FGEDMO N#Cc1cccc(OCCn2cc(C[NH2+][C@H]3CCc4ccccc43)nn2)c1 ZINC000603209613 506457041 /nfs/dbraw/zinc/45/70/41/506457041.db2.gz SLWLXVILTMKKLK-NRFANRHFSA-N 1 1 359.433 3.006 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)c(-c2ccncc2)n1 ZINC000582883328 506470192 /nfs/dbraw/zinc/47/01/92/506470192.db2.gz ZZPAEOUFZPUGLB-FQEVSTJZSA-N 1 1 365.481 3.250 20 30 FGEDMO COCCOCc1cc(C#N)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000603317035 506483150 /nfs/dbraw/zinc/48/31/50/506483150.db2.gz FQBVWMJTCPJJRY-XMSQKQJNSA-N 1 1 369.509 3.174 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599736 506483523 /nfs/dbraw/zinc/48/35/23/506483523.db2.gz XQUNCWJHLSLFEM-TZQQIIETSA-N 1 1 371.529 3.113 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599736 506483527 /nfs/dbraw/zinc/48/35/27/506483527.db2.gz XQUNCWJHLSLFEM-TZQQIIETSA-N 1 1 371.529 3.113 20 30 FGEDMO CCCCC[N@@H+](CCNC(=O)C1(C#N)CCOCC1)Cc1ccccc1 ZINC000593251118 506494608 /nfs/dbraw/zinc/49/46/08/506494608.db2.gz PRWRHTCIJGWEOO-UHFFFAOYSA-N 1 1 357.498 3.115 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000589278689 506506094 /nfs/dbraw/zinc/50/60/94/506506094.db2.gz DBMRKIBLWOJMHW-JOCHJYFZSA-N 1 1 361.445 3.357 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cccc(C#N)n3)cc2)C1 ZINC000589314812 506515085 /nfs/dbraw/zinc/51/50/85/506515085.db2.gz YUMAIHPFGKVVEL-CALCHBBNSA-N 1 1 362.477 3.361 20 30 FGEDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000596660993 506516826 /nfs/dbraw/zinc/51/68/26/506516826.db2.gz JGVAMEAXXOLRAD-UHFFFAOYSA-N 1 1 355.388 3.103 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3sccc3C#N)cc2)C[C@@H](C)O1 ZINC000603577424 506562787 /nfs/dbraw/zinc/56/27/87/506562787.db2.gz GLEMLJKOZHYCJY-ZIAGYGMSSA-N 1 1 355.463 3.481 20 30 FGEDMO C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675058 506572566 /nfs/dbraw/zinc/57/25/66/506572566.db2.gz HYZHPXDYMDNCGA-KRWDZBQOSA-N 1 1 359.473 3.479 20 30 FGEDMO C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675058 506572569 /nfs/dbraw/zinc/57/25/69/506572569.db2.gz HYZHPXDYMDNCGA-KRWDZBQOSA-N 1 1 359.473 3.479 20 30 FGEDMO CSc1ccc(OC[C@H](O)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599677625 506575001 /nfs/dbraw/zinc/57/50/01/506575001.db2.gz ILRZCRDDRAYTJN-GOSISDBHSA-N 1 1 368.502 3.273 20 30 FGEDMO C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686472 506580016 /nfs/dbraw/zinc/58/00/16/506580016.db2.gz SHHWKRNEMJOAHW-QGZVFWFLSA-N 1 1 359.473 3.479 20 30 FGEDMO C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686472 506580021 /nfs/dbraw/zinc/58/00/21/506580021.db2.gz SHHWKRNEMJOAHW-QGZVFWFLSA-N 1 1 359.473 3.479 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)C1CC1 ZINC000593395549 506597699 /nfs/dbraw/zinc/59/76/99/506597699.db2.gz ZDEMFGJLGYAVOH-JOCHJYFZSA-N 1 1 374.488 3.494 20 30 FGEDMO CC(C)(NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(C#N)c1 ZINC000596831051 506624767 /nfs/dbraw/zinc/62/47/67/506624767.db2.gz XOYBAZFBBINSFW-GOSISDBHSA-N 1 1 354.498 3.500 20 30 FGEDMO Cc1cccc(C(=O)N2CCC[N@@H+](CCOc3cccc(C#N)c3)CC2)c1 ZINC000603846460 506631762 /nfs/dbraw/zinc/63/17/62/506631762.db2.gz ALSNZKIDBHVJFQ-UHFFFAOYSA-N 1 1 363.461 3.094 20 30 FGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)C1 ZINC000589743981 506640672 /nfs/dbraw/zinc/64/06/72/506640672.db2.gz VNUBOACKZGQFIU-TTYHFUOFSA-N 1 1 355.482 3.148 20 30 FGEDMO COc1cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c(F)cc1C#N ZINC000599809284 506649227 /nfs/dbraw/zinc/64/92/27/506649227.db2.gz HUMIESCZVZLVFY-ZDUSSCGKSA-N 1 1 360.433 3.044 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1)C1CC1 ZINC000603890091 506650068 /nfs/dbraw/zinc/65/00/68/506650068.db2.gz OZPBHPNMYZHMIH-IERDGZPVSA-N 1 1 350.466 3.156 20 30 FGEDMO C[C@H]([NH2+]C(C)(C)CNC[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258159 506681269 /nfs/dbraw/zinc/68/12/69/506681269.db2.gz KQQLWPQGWVHKQA-FXAWDEMLSA-N 1 1 367.493 3.017 20 30 FGEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000593650608 506714910 /nfs/dbraw/zinc/71/49/10/506714910.db2.gz WHMVLEVFQFEUBX-INIZCTEOSA-N 1 1 373.497 3.114 20 30 FGEDMO N#Cc1ccc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000593669519 506721113 /nfs/dbraw/zinc/72/11/13/506721113.db2.gz RVBYITFSHZZRRE-UXHICEINSA-N 1 1 353.491 3.095 20 30 FGEDMO Cc1ccc2nc(CNC3CC[NH+](Cc4cccc(C#N)c4)CC3)cn2c1 ZINC000593693029 506734631 /nfs/dbraw/zinc/73/46/31/506734631.db2.gz MFESJWACKKBPRZ-UHFFFAOYSA-N 1 1 359.477 3.269 20 30 FGEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]4O[C@H](c5ccccc5)C[C@@H]43)cnc12 ZINC000593695460 506736729 /nfs/dbraw/zinc/73/67/29/506736729.db2.gz ABVPANARMMGGNP-UFYCRDLUSA-N 1 1 359.433 3.096 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604187464 506742560 /nfs/dbraw/zinc/74/25/60/506742560.db2.gz WGJSAYFQTJZJSY-GOSISDBHSA-N 1 1 369.509 3.440 20 30 FGEDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593729138 506750337 /nfs/dbraw/zinc/75/03/37/506750337.db2.gz OLFZDPZKMMYFLX-UHFFFAOYSA-N 1 1 369.490 3.095 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2cccc(C#N)c2)C1 ZINC000583388772 506753426 /nfs/dbraw/zinc/75/34/26/506753426.db2.gz WPZIZRRIMWIUED-QGZVFWFLSA-N 1 1 356.514 3.301 20 30 FGEDMO C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000590165988 506756260 /nfs/dbraw/zinc/75/62/60/506756260.db2.gz IUHJQQWSNFGVQG-RYRKJORJSA-N 1 1 351.454 3.107 20 30 FGEDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccc(C#N)nc1 ZINC000600070223 506764012 /nfs/dbraw/zinc/76/40/12/506764012.db2.gz HXJSSLATAWFRMQ-OKZBNKHCSA-N 1 1 362.477 3.006 20 30 FGEDMO C[N@@H+](Cc1cccc2ccccc21)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000609121684 506781367 /nfs/dbraw/zinc/78/13/67/506781367.db2.gz NESQTLYWJYVUKG-NRFANRHFSA-N 1 1 369.424 3.475 20 30 FGEDMO CC(C)c1ccc(C[N@H+](C)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC000609121540 506781572 /nfs/dbraw/zinc/78/15/72/506781572.db2.gz DEJFSYVJTLBGOR-FQEVSTJZSA-N 1 1 361.445 3.446 20 30 FGEDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC000609121540 506781580 /nfs/dbraw/zinc/78/15/80/506781580.db2.gz DEJFSYVJTLBGOR-FQEVSTJZSA-N 1 1 361.445 3.446 20 30 FGEDMO C[C@@H](c1cccc(NCC(=O)Nc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000609221066 506817117 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CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000610951186 507453250 /nfs/dbraw/zinc/45/32/50/507453250.db2.gz IORJSOOWTSJJQJ-QGZVFWFLSA-N 1 1 352.482 3.263 20 30 FGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(CC#N)cc1 ZINC000592026270 507456843 /nfs/dbraw/zinc/45/68/43/507456843.db2.gz RCZNSMDDXKNLQZ-SFHVURJKSA-N 1 1 362.477 3.169 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(CC#N)cc1 ZINC000592026270 507456848 /nfs/dbraw/zinc/45/68/48/507456848.db2.gz RCZNSMDDXKNLQZ-SFHVURJKSA-N 1 1 362.477 3.169 20 30 FGEDMO N#CCc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000592025659 507456902 /nfs/dbraw/zinc/45/69/02/507456902.db2.gz ZZHCGMSTTFWMEQ-UHFFFAOYSA-N 1 1 362.477 3.170 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000610967419 507457093 /nfs/dbraw/zinc/45/70/93/507457093.db2.gz QMTWDVYOVALCCD-PZJWPPBQSA-N 1 1 352.434 3.035 20 30 FGEDMO CC(C)(C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1cc(F)cc(C#N)c1 ZINC000598509114 507466953 /nfs/dbraw/zinc/46/69/53/507466953.db2.gz GKJMMODVXJBDGS-FQEVSTJZSA-N 1 1 365.452 3.366 20 30 FGEDMO CC[C@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@@H](CC)CN1Cc1ccnc(C#N)c1 ZINC000610994485 507470100 /nfs/dbraw/zinc/47/01/00/507470100.db2.gz FXNRBGCOVHODQK-VXKWHMMOSA-N 1 1 374.492 3.095 20 30 FGEDMO CC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@@H](CC)CN1Cc1ccnc(C#N)c1 ZINC000610994485 507470104 /nfs/dbraw/zinc/47/01/04/507470104.db2.gz FXNRBGCOVHODQK-VXKWHMMOSA-N 1 1 374.492 3.095 20 30 FGEDMO C=CCCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000584729502 507473800 /nfs/dbraw/zinc/47/38/00/507473800.db2.gz AWEZGHIBTZLXSJ-QUCCMNQESA-N 1 1 371.525 3.018 20 30 FGEDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000611031164 507487898 /nfs/dbraw/zinc/48/78/98/507487898.db2.gz DKYLYCPJKJLWIX-UHFFFAOYSA-N 1 1 374.435 3.179 20 30 FGEDMO COc1ccc(F)cc1CN1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000614396023 507496518 /nfs/dbraw/zinc/49/65/18/507496518.db2.gz PVNAYICHBMUSKA-UHFFFAOYSA-N 1 1 353.441 3.332 20 30 FGEDMO COc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3C)CC2)cc(OC)c1 ZINC000614402129 507498426 /nfs/dbraw/zinc/49/84/26/507498426.db2.gz LMHLGNAFUUPQCN-UHFFFAOYSA-N 1 1 365.477 3.202 20 30 FGEDMO CC[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000595446568 507501278 /nfs/dbraw/zinc/50/12/78/507501278.db2.gz CYYRSBNSYOVTCB-XLIONFOSSA-N 1 1 354.498 3.159 20 30 FGEDMO Cc1cc(C)c2c(c1)C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000614415991 507502160 /nfs/dbraw/zinc/50/21/60/507502160.db2.gz HCHNNHTYSHRIHC-HXUWFJFHSA-N 1 1 350.462 3.168 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@](C)(C#N)C3)cc2)C1 ZINC000595457855 507508407 /nfs/dbraw/zinc/50/84/07/507508407.db2.gz FMLIWRHKOVMGFN-UWJYYQICSA-N 1 1 354.498 3.364 20 30 FGEDMO CC(C)(C#N)C[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000598593939 507511291 /nfs/dbraw/zinc/51/12/91/507511291.db2.gz YKGBLFSAIJWLDM-ACRUOGEOSA-N 1 1 355.526 3.274 20 30 FGEDMO CC(C)(C#N)C[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000598593939 507511298 /nfs/dbraw/zinc/51/12/98/507511298.db2.gz YKGBLFSAIJWLDM-ACRUOGEOSA-N 1 1 355.526 3.274 20 30 FGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000611089654 507511789 /nfs/dbraw/zinc/51/17/89/507511789.db2.gz YMECXXZCUMAABT-XLIONFOSSA-N 1 1 368.502 3.285 20 30 FGEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598609088 507516178 /nfs/dbraw/zinc/51/61/78/507516178.db2.gz QDEYKCKDCCDSHF-TWMKSMIVSA-N 1 1 350.503 3.262 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000598609633 507517858 /nfs/dbraw/zinc/51/78/58/507517858.db2.gz BXHSBHFNGODIET-HEHGZKQESA-N 1 1 356.388 3.114 20 30 FGEDMO COC(=O)c1cccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000611126932 507526960 /nfs/dbraw/zinc/52/69/60/507526960.db2.gz OTIQNJDQECVZMH-KRWDZBQOSA-N 1 1 363.461 3.051 20 30 FGEDMO N#CCCCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595488356 507527515 /nfs/dbraw/zinc/52/75/15/507527515.db2.gz LZKDHYXDGZCASE-LJQANCHMSA-N 1 1 354.498 3.282 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)c(-c2ccccc2)n1 ZINC000601968819 507533599 /nfs/dbraw/zinc/53/35/99/507533599.db2.gz HZRKMKOVHKJHTB-KRWDZBQOSA-N 1 1 360.408 3.320 20 30 FGEDMO COc1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1OCCCC#N ZINC000601971863 507534718 /nfs/dbraw/zinc/53/47/18/507534718.db2.gz WWVGVMFKKUOZOR-INIZCTEOSA-N 1 1 354.397 3.234 20 30 FGEDMO COc1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)cc1OCCCC#N ZINC000601971863 507534726 /nfs/dbraw/zinc/53/47/26/507534726.db2.gz WWVGVMFKKUOZOR-INIZCTEOSA-N 1 1 354.397 3.234 20 30 FGEDMO CC1CN(CCc2ccc(C#N)cc2)CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595517222 507540395 /nfs/dbraw/zinc/54/03/95/507540395.db2.gz CWUJWLJSNWICGQ-UHFFFAOYSA-N 1 1 372.516 3.469 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000611225356 507568778 /nfs/dbraw/zinc/56/87/78/507568778.db2.gz KQSSNCKRBRBXEU-CABCVRRESA-N 1 1 374.554 3.242 20 30 FGEDMO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)CC2)c(F)c1 ZINC000602150958 507606893 /nfs/dbraw/zinc/60/68/93/507606893.db2.gz DLIORSQCDMRVHM-IBGZPJMESA-N 1 1 371.456 3.084 20 30 FGEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000595671356 507620916 /nfs/dbraw/zinc/62/09/16/507620916.db2.gz RBPJPIXCVMKZJW-MAUKXSAKSA-N 1 1 363.889 3.070 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(N[C@H](CCO)c3ccccc3F)CC2)cc1 ZINC000592376375 507625008 /nfs/dbraw/zinc/62/50/08/507625008.db2.gz HZGMQKLVHVZTQF-JOCHJYFZSA-N 1 1 367.468 3.375 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000611348213 507634664 /nfs/dbraw/zinc/63/46/64/507634664.db2.gz SNGMCYOYQYVIBS-ZWKOTPCHSA-N 1 1 350.466 3.301 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000611348213 507634671 /nfs/dbraw/zinc/63/46/71/507634671.db2.gz SNGMCYOYQYVIBS-ZWKOTPCHSA-N 1 1 350.466 3.301 20 30 FGEDMO CCC[C@@H](C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000602295448 507658603 /nfs/dbraw/zinc/65/86/03/507658603.db2.gz DHGIYGLZSRDMPA-RCCFBDPRSA-N 1 1 368.506 3.167 20 30 FGEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)cc1F ZINC000595748475 507662269 /nfs/dbraw/zinc/66/22/69/507662269.db2.gz UYDVFAVGPYXINE-FXAWDEMLSA-N 1 1 370.424 3.283 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@](O)(C3CC3)C2)sc2c1CCCC2 ZINC000595750328 507664990 /nfs/dbraw/zinc/66/49/90/507664990.db2.gz LSSNGENRYATOJN-HXUWFJFHSA-N 1 1 373.522 3.064 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595757519 507670165 /nfs/dbraw/zinc/67/01/65/507670165.db2.gz KCWJTUYJDYSMRB-ARGWCVDVSA-N 1 1 373.522 3.184 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595757519 507670170 /nfs/dbraw/zinc/67/01/70/507670170.db2.gz KCWJTUYJDYSMRB-ARGWCVDVSA-N 1 1 373.522 3.184 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccccn2)cc1 ZINC000611442104 507684490 /nfs/dbraw/zinc/68/44/90/507684490.db2.gz SBFSHSFRYLFNHT-INIZCTEOSA-N 1 1 352.438 3.078 20 30 FGEDMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592523350 507692573 /nfs/dbraw/zinc/69/25/73/507692573.db2.gz LDCNXLHIUQHGMW-LJQANCHMSA-N 1 1 358.873 3.052 20 30 FGEDMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592523350 507692580 /nfs/dbraw/zinc/69/25/80/507692580.db2.gz LDCNXLHIUQHGMW-LJQANCHMSA-N 1 1 358.873 3.052 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595825980 507701872 /nfs/dbraw/zinc/70/18/72/507701872.db2.gz IGKJGQUBRNEUFQ-CRAIPNDOSA-N 1 1 366.465 3.306 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595825980 507701882 /nfs/dbraw/zinc/70/18/82/507701882.db2.gz IGKJGQUBRNEUFQ-CRAIPNDOSA-N 1 1 366.465 3.306 20 30 FGEDMO CN(c1ccccc1)[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595829184 507704033 /nfs/dbraw/zinc/70/40/33/507704033.db2.gz XEFWSXAMPQAGJV-SFHVURJKSA-N 1 1 368.868 3.361 20 30 FGEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595829184 507704038 /nfs/dbraw/zinc/70/40/38/507704038.db2.gz XEFWSXAMPQAGJV-SFHVURJKSA-N 1 1 368.868 3.361 20 30 FGEDMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(C#N)n3)C2)cc1 ZINC000602454502 507715505 /nfs/dbraw/zinc/71/55/05/507715505.db2.gz OKJUOFSMECKHQS-KRWDZBQOSA-N 1 1 363.465 3.295 20 30 FGEDMO CC[N@@H+](CCOc1ccccc1OC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000595880192 507725317 /nfs/dbraw/zinc/72/53/17/507725317.db2.gz YXXHDXQJVNWFOL-KRWDZBQOSA-N 1 1 373.497 3.127 20 30 FGEDMO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000611550669 507733606 /nfs/dbraw/zinc/73/36/06/507733606.db2.gz IGGHUMHKANGCPP-NRFANRHFSA-N 1 1 353.441 3.477 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909725 507737056 /nfs/dbraw/zinc/73/70/56/507737056.db2.gz MXXCKUINPPQJPS-WXWSQDCUSA-N 1 1 373.541 3.198 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CCOc3ccc(C#N)cc3)C2)s1 ZINC000595914817 507742261 /nfs/dbraw/zinc/74/22/61/507742261.db2.gz OQFZURMSCCVQRY-OAHLLOKOSA-N 1 1 371.462 3.060 20 30 FGEDMO C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)c1ncnn1C ZINC000328607708 526235746 /nfs/dbraw/zinc/23/57/46/526235746.db2.gz WROGXWWGVCGISO-WRWLIDTKSA-N 1 1 353.470 3.135 20 30 FGEDMO CC[C@@H](C#N)Oc1cccc(CNc2[nH+]c(C)cc(C)c2-c2nn[nH]n2)c1 ZINC000736308823 598871348 /nfs/dbraw/zinc/87/13/48/598871348.db2.gz IMELOGCXJZMCJB-HNNXBMFYSA-N 1 1 363.425 3.172 20 30 FGEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cnc(OC)c(Cl)c1 ZINC000823915343 607738385 /nfs/dbraw/zinc/73/83/85/607738385.db2.gz VNSPKVLEFLCQLF-UHFFFAOYSA-N 1 1 370.844 3.112 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cnc(OC)c(Cl)c1 ZINC000823915343 607738386 /nfs/dbraw/zinc/73/83/86/607738386.db2.gz VNSPKVLEFLCQLF-UHFFFAOYSA-N 1 1 370.844 3.112 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cccc(-c2nn[nH]n2)c1 ZINC000821614800 606165991 /nfs/dbraw/zinc/16/59/91/606165991.db2.gz VLMUSHJRKGAGQS-UHFFFAOYSA-N 1 1 363.469 3.423 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000822825701 606890273 /nfs/dbraw/zinc/89/02/73/606890273.db2.gz LXQHKLZKHQBTJN-UHFFFAOYSA-N 1 1 374.448 3.172 20 30 FGEDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)c(C#N)c1 ZINC000820122063 606965248 /nfs/dbraw/zinc/96/52/48/606965248.db2.gz YUYJVYIVQOGBNP-UHFFFAOYSA-N 1 1 350.401 3.288 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822801754 606980067 /nfs/dbraw/zinc/98/00/67/606980067.db2.gz NWNLCKOSDLTKSS-PKOBYXMFSA-N 1 1 362.412 3.278 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000822801754 606980068 /nfs/dbraw/zinc/98/00/68/606980068.db2.gz NWNLCKOSDLTKSS-PKOBYXMFSA-N 1 1 362.412 3.278 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819743412 607057748 /nfs/dbraw/zinc/05/77/48/607057748.db2.gz IOFJOQSOHSLGBP-UHFFFAOYSA-N 1 1 353.401 3.203 20 30 FGEDMO CCCCC(N)=[NH+]OCc1noc(Cc2ccc(Br)cc2)n1 ZINC000111177114 700546536 /nfs/dbraw/zinc/54/65/36/700546536.db2.gz AWRIQUTWWZZRMP-UHFFFAOYSA-N 1 1 367.247 3.402 20 30 FGEDMO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2c(C)nn(C)c2Cl)ccc1OC ZINC000113347593 700571203 /nfs/dbraw/zinc/57/12/03/700571203.db2.gz PVENTTUNZXWSIL-AWEZNQCLSA-N 1 1 362.861 3.361 20 30 FGEDMO C=C(Br)CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000118029476 700607152 /nfs/dbraw/zinc/60/71/52/700607152.db2.gz SJLVITXXEJMFNU-ZDUSSCGKSA-N 1 1 368.275 3.110 20 30 FGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000121081804 700665391 /nfs/dbraw/zinc/66/53/91/700665391.db2.gz UXSFXLFTLJQHST-SJLPKXTDSA-N 1 1 365.949 3.352 20 30 FGEDMO C#CCSCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121493187 700673741 /nfs/dbraw/zinc/67/37/41/700673741.db2.gz ZIQZVLKDFZWIFZ-MJGOQNOKSA-N 1 1 359.539 3.047 20 30 FGEDMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1cccc(Cl)n1 ZINC000131565008 700816870 /nfs/dbraw/zinc/81/68/70/700816870.db2.gz UIPMKIXEHRSTRJ-NSHDSACASA-N 1 1 356.854 3.027 20 30 FGEDMO C=C(Br)CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000171186597 705377489 /nfs/dbraw/zinc/37/74/89/705377489.db2.gz MCUIPLSIVVSRRV-UHFFFAOYSA-N 1 1 367.222 3.028 20 30 FGEDMO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185568072 712696867 /nfs/dbraw/zinc/69/68/67/712696867.db2.gz HOZHGRXNQNCOQG-MRXNPFEDSA-N 1 1 352.400 3.445 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1OCC#N)c1ccccc1Cl ZINC000194042946 713508606 /nfs/dbraw/zinc/50/86/06/713508606.db2.gz AIGWSMRAEJXRIA-KRWDZBQOSA-N 1 1 357.841 3.275 20 30 FGEDMO NC(=[NH+]OCc1nnc(-c2ccc(Br)o2)o1)C1CCCCC1 ZINC000194344777 713519393 /nfs/dbraw/zinc/51/93/93/713519393.db2.gz FJPLZQFFNDEGAO-UHFFFAOYSA-N 1 1 369.219 3.461 20 30 FGEDMO CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+]C[C@H]1CCC(F)(F)C1)C2 ZINC000330246001 713835140 /nfs/dbraw/zinc/83/51/40/713835140.db2.gz DYFLLNZSIMDHFE-STQMWFEESA-N 1 1 354.445 3.434 20 30 FGEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330260522 713835413 /nfs/dbraw/zinc/83/54/13/713835413.db2.gz SSKIHUZPYANMOP-GDBMZVCRSA-N 1 1 351.491 3.327 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCC13CCOCC3)CCC2 ZINC000374290017 713910833 /nfs/dbraw/zinc/91/08/33/713910833.db2.gz XTZWMVFCSSBXRM-UHFFFAOYSA-N 1 1 359.495 3.082 20 30 FGEDMO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374942801 713954883 /nfs/dbraw/zinc/95/48/83/713954883.db2.gz FJBDZRKWFVAFLL-KBPBESRZSA-N 1 1 356.495 3.493 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cccc(Cl)c1 ZINC000375036074 713962258 /nfs/dbraw/zinc/96/22/58/713962258.db2.gz GRBDKBHORIZLJP-KSSFIOAISA-N 1 1 356.857 3.353 20 30 FGEDMO C=CC[C@H](C)NC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000522576805 714193586 /nfs/dbraw/zinc/19/35/86/714193586.db2.gz FBKMXAZVNCJSOZ-INIZCTEOSA-N 1 1 364.921 3.116 20 30 FGEDMO C[NH+](C)[C@H](C(=O)NCCOc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000524672272 714294793 /nfs/dbraw/zinc/29/47/93/714294793.db2.gz HSJVFMRFQGCROC-SFHVURJKSA-N 1 1 357.841 3.010 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2C)C1 ZINC000525386660 714348821 /nfs/dbraw/zinc/34/88/21/714348821.db2.gz BILHWIHLBCZPNH-MRXNPFEDSA-N 1 1 363.527 3.046 20 30 FGEDMO N#Cc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)ccn1 ZINC000526966831 714416126 /nfs/dbraw/zinc/41/61/26/714416126.db2.gz VJPKCIBXNOGKLH-GOSISDBHSA-N 1 1 354.841 3.174 20 30 FGEDMO CCn1cc([C@@H]2CSCC[N@@H+]2CCCOc2cccc(C#N)c2)cn1 ZINC000618901226 714786487 /nfs/dbraw/zinc/78/64/87/714786487.db2.gz QLJFTLMPPPWAAE-IBGZPJMESA-N 1 1 356.495 3.334 20 30 FGEDMO CCn1cc([C@@H]2CSCC[N@H+]2CCCOc2cccc(C#N)c2)cn1 ZINC000618901226 714786491 /nfs/dbraw/zinc/78/64/91/714786491.db2.gz QLJFTLMPPPWAAE-IBGZPJMESA-N 1 1 356.495 3.334 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1Cl ZINC000619764695 714868770 /nfs/dbraw/zinc/86/87/70/714868770.db2.gz FDXPZELCRFWECW-IBGZPJMESA-N 1 1 353.853 3.492 20 30 FGEDMO C=CCOc1c(Cl)cc(CNCC2([NH+](C)C)CCOCC2)cc1OC ZINC000623419678 715332244 /nfs/dbraw/zinc/33/22/44/715332244.db2.gz RVOYLYVJFKGOBE-UHFFFAOYSA-N 1 1 368.905 3.114 20 30 FGEDMO C#CCOc1cccc(Cl)c1CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000779153825 724395865 /nfs/dbraw/zinc/39/58/65/724395865.db2.gz MAYBZMYKNWGVHK-KRWDZBQOSA-N 1 1 362.901 3.039 20 30 FGEDMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000799116557 723988758 /nfs/dbraw/zinc/98/87/58/723988758.db2.gz NYAKEVYDZDFHDT-INIZCTEOSA-N 1 1 351.491 3.076 20 30 FGEDMO C=CC[N@H+](CCC(=O)NCc1cnc(C)s1)Cc1ccc(OC)cc1 ZINC000639456292 717558227 /nfs/dbraw/zinc/55/82/27/717558227.db2.gz JGQHATYPMLMBDB-UHFFFAOYSA-N 1 1 359.495 3.155 20 30 FGEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648758500 718448862 /nfs/dbraw/zinc/44/88/62/718448862.db2.gz YFKZYBCADIJUGV-IUODEOHRSA-N 1 1 369.278 3.443 20 30 FGEDMO N#Cc1ncc(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164621125 719065337 /nfs/dbraw/zinc/06/53/37/719065337.db2.gz HJBDFJQDLXFCOJ-DOTOQJQBSA-N 1 1 353.857 3.102 20 30 FGEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccc(Cl)c1C#N)CC2 ZINC001164646130 719308825 /nfs/dbraw/zinc/30/88/25/719308825.db2.gz BKOUHHYESMAJFQ-UHFFFAOYSA-N 1 1 358.877 3.008 20 30 FGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)ncc2C#N)CC3)cs1 ZINC001164691964 719807453 /nfs/dbraw/zinc/80/74/53/719807453.db2.gz CIDKFPXJWPEHEZ-UHFFFAOYSA-N 1 1 368.510 3.057 20 30 FGEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1Br)[C@@H](C)COC ZINC000661242411 720214212 /nfs/dbraw/zinc/21/42/12/720214212.db2.gz OETKXKITRDHZAD-ZDUSSCGKSA-N 1 1 355.276 3.301 20 30 FGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000661379751 720238244 /nfs/dbraw/zinc/23/82/44/720238244.db2.gz IEOGNHLXXHNWHN-CYBMUJFWSA-N 1 1 362.271 3.245 20 30 FGEDMO C=CCOCCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000661792625 720320130 /nfs/dbraw/zinc/32/01/30/720320130.db2.gz HRLSZLBZDKJFNL-RDJZCZTQSA-N 1 1 351.516 3.023 20 30 FGEDMO N#CC1(c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2)CCC1 ZINC001164722927 720381521 /nfs/dbraw/zinc/38/15/21/720381521.db2.gz DTDDOWKMAKCWMU-UXHICEINSA-N 1 1 359.477 3.275 20 30 FGEDMO C=CC[C@]1(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CCC[NH2+]1 ZINC000662664195 720450964 /nfs/dbraw/zinc/45/09/64/720450964.db2.gz UFIWHEWAYQJSAJ-YLJYHZDGSA-N 1 1 361.555 3.336 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH]ccc3ncc(C#N)c1-3)[C@@H]2C ZINC001164857185 720989608 /nfs/dbraw/zinc/98/96/08/720989608.db2.gz CUFDKPKHXARVHG-CQSZACIVSA-N 1 1 363.469 3.052 20 30 FGEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164774296 721290117 /nfs/dbraw/zinc/29/01/17/721290117.db2.gz YVHMIUVLJMCGCW-UHFFFAOYSA-N 1 1 352.816 3.074 20 30 FGEDMO C#CC[N@H+](C[C@@H](C)COC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000783565980 724765739 /nfs/dbraw/zinc/76/57/39/724765739.db2.gz AANWIVDOFHIBHV-CZUORRHYSA-N 1 1 352.272 3.490 20 30 FGEDMO C#CCNC(=S)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000783752067 724786232 /nfs/dbraw/zinc/78/62/32/724786232.db2.gz RKPNWXOZEFSFQG-UHFFFAOYSA-N 1 1 356.322 3.055 20 30 FGEDMO C=C(C)[C@@H](CO)[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000678050306 721935522 /nfs/dbraw/zinc/93/55/22/721935522.db2.gz XLYZZEUZKZFKLZ-GOSISDBHSA-N 1 1 361.486 3.004 20 30 FGEDMO N#Cc1c(Cl)c2ccccc2nc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967814 722074942 /nfs/dbraw/zinc/07/49/42/722074942.db2.gz XPVPTKMHLJRPOC-GASCZTMLSA-N 1 1 368.868 3.059 20 30 FGEDMO N#Cc1ncc(Cl)nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993228 722195887 /nfs/dbraw/zinc/19/58/87/722195887.db2.gz DBIKJSRSKIUKEG-LJQANCHMSA-N 1 1 371.847 3.386 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1Cl ZINC000685442390 722385260 /nfs/dbraw/zinc/38/52/60/722385260.db2.gz AMLLLXKCQMUXGN-RDJZCZTQSA-N 1 1 350.890 3.200 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)Cc1cc(Br)ccc1F ZINC000732056811 722481101 /nfs/dbraw/zinc/48/11/01/722481101.db2.gz CUUSPARGAKLUQG-INIZCTEOSA-N 1 1 367.262 3.034 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)Cc1cc(Br)ccc1F ZINC000732056811 722481102 /nfs/dbraw/zinc/48/11/02/722481102.db2.gz CUUSPARGAKLUQG-INIZCTEOSA-N 1 1 367.262 3.034 20 30 FGEDMO C#CCCNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000733356380 722496262 /nfs/dbraw/zinc/49/62/62/722496262.db2.gz KHIRESUCQJVJRY-GOSISDBHSA-N 1 1 353.491 3.170 20 30 FGEDMO C#CCCNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000733356380 722496263 /nfs/dbraw/zinc/49/62/63/722496263.db2.gz KHIRESUCQJVJRY-GOSISDBHSA-N 1 1 353.491 3.170 20 30 FGEDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310320 722514987 /nfs/dbraw/zinc/51/49/87/722514987.db2.gz YNLMBSCOMMLXJV-OAHLLOKOSA-N 1 1 363.889 3.227 20 30 FGEDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310320 722514988 /nfs/dbraw/zinc/51/49/88/722514988.db2.gz YNLMBSCOMMLXJV-OAHLLOKOSA-N 1 1 363.889 3.227 20 30 FGEDMO C#CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000741663384 722548176 /nfs/dbraw/zinc/54/81/76/722548176.db2.gz QNHXTGITIROGTO-IBGZPJMESA-N 1 1 356.853 3.385 20 30 FGEDMO C=CCn1c(-c2ccco2)nn(CN2CC[C@@H](C[N@H+](C)CC)C2)c1=S ZINC000743399970 722567027 /nfs/dbraw/zinc/56/70/27/722567027.db2.gz PUIPPIWWXVEWCW-HNNXBMFYSA-N 1 1 361.515 3.091 20 30 FGEDMO C=C(Cl)CNC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000747974937 722670141 /nfs/dbraw/zinc/67/01/41/722670141.db2.gz WRFACSDCTCRQLI-RDTXWAMCSA-N 1 1 364.921 3.384 20 30 FGEDMO C=C(Cl)CNC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000747974937 722670144 /nfs/dbraw/zinc/67/01/44/722670144.db2.gz WRFACSDCTCRQLI-RDTXWAMCSA-N 1 1 364.921 3.384 20 30 FGEDMO C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000748351167 722685517 /nfs/dbraw/zinc/68/55/17/722685517.db2.gz JCAFSIDQCASURE-OAHLLOKOSA-N 1 1 351.475 3.486 20 30 FGEDMO C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@H+]1C ZINC000748351167 722685519 /nfs/dbraw/zinc/68/55/19/722685519.db2.gz JCAFSIDQCASURE-OAHLLOKOSA-N 1 1 351.475 3.486 20 30 FGEDMO C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000748351162 722685565 /nfs/dbraw/zinc/68/55/65/722685565.db2.gz JCAFSIDQCASURE-HNNXBMFYSA-N 1 1 351.475 3.486 20 30 FGEDMO C[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC[N@H+]1C ZINC000748351162 722685568 /nfs/dbraw/zinc/68/55/68/722685568.db2.gz JCAFSIDQCASURE-HNNXBMFYSA-N 1 1 351.475 3.486 20 30 FGEDMO C#CC[N@H+](CCC(C)(C)O)[C@H]1CCOc2ccc(Br)cc21 ZINC000749791087 722740947 /nfs/dbraw/zinc/74/09/47/722740947.db2.gz UHJJPJFJAWJIPG-HNNXBMFYSA-N 1 1 352.272 3.369 20 30 FGEDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000752748313 722869921 /nfs/dbraw/zinc/86/99/21/722869921.db2.gz VQZNILSNYGLQSN-JTQLQIEISA-N 1 1 357.252 3.175 20 30 FGEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000754703335 722944684 /nfs/dbraw/zinc/94/46/84/722944684.db2.gz PZQMEDRBORHOOF-CYBMUJFWSA-N 1 1 371.487 3.292 20 30 FGEDMO C#CC[C@H](NC(=O)NCC[N@H+](CC)CCC(F)(F)F)c1ccccc1 ZINC000755776617 722956756 /nfs/dbraw/zinc/95/67/56/722956756.db2.gz GPXZXJANQFQHMV-INIZCTEOSA-N 1 1 355.404 3.325 20 30 FGEDMO CC[N@@H+](CCNC(=O)c1ccccc1SCC#N)CCC(F)(F)F ZINC000756560002 722966873 /nfs/dbraw/zinc/96/68/73/722966873.db2.gz WKHQFLRHJSYZFW-UHFFFAOYSA-N 1 1 359.417 3.306 20 30 FGEDMO COc1ccc(O)c(/C=N/C[C@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000760979752 723109680 /nfs/dbraw/zinc/10/96/80/723109680.db2.gz LVRKSZYFZOHIHS-IUOVYFEOSA-N 1 1 356.491 3.437 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(OC)c1 ZINC000761046822 723116269 /nfs/dbraw/zinc/11/62/69/723116269.db2.gz UJQBMIKKLBPQLS-CABCVRRESA-N 1 1 359.388 3.048 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000790661153 723165392 /nfs/dbraw/zinc/16/53/92/723165392.db2.gz KOLOGKKTZKMXQN-PBHICJAKSA-N 1 1 352.400 3.246 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000794708126 723542187 /nfs/dbraw/zinc/54/21/87/723542187.db2.gz XSTFOJIPFUYTQA-BEFAXECRSA-N 1 1 359.495 3.152 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1cc(C#N)cc(Cl)n1 ZINC000768381781 723656001 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CC[C@@H]1CCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000042243461 494211737 /nfs/dbraw/zinc/21/17/37/494211737.db2.gz KMCZISVWGAAGBN-QGZVFWFLSA-N 1 1 352.400 3.438 20 30 FGEDMO C[C@H](O)C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CCCCC1 ZINC000072600510 494214727 /nfs/dbraw/zinc/21/47/27/494214727.db2.gz ATNPEPXEFBZSRR-HNNXBMFYSA-N 1 1 361.511 3.256 20 30 FGEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000066192869 494286820 /nfs/dbraw/zinc/28/68/20/494286820.db2.gz DVSXMZFXCNEEGW-MRXNPFEDSA-N 1 1 353.470 3.320 20 30 FGEDMO CCOC[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000072975264 494294825 /nfs/dbraw/zinc/29/48/25/494294825.db2.gz BUVHNCAMPGLYEN-KRWDZBQOSA-N 1 1 353.466 3.486 20 30 FGEDMO CCOC[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000072975264 494294833 /nfs/dbraw/zinc/29/48/33/494294833.db2.gz BUVHNCAMPGLYEN-KRWDZBQOSA-N 1 1 353.466 3.486 20 30 FGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000571360993 505714264 /nfs/dbraw/zinc/71/42/64/505714264.db2.gz XCVFAYBUFYSYNN-HXUWFJFHSA-N 1 1 354.498 3.495 20 30 FGEDMO Cc1cccn2cc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)nc12 ZINC000055172056 494309661 /nfs/dbraw/zinc/30/96/61/494309661.db2.gz DYXGTENQBTVBLW-UHFFFAOYSA-N 1 1 359.477 3.222 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CN2CCCC2)cc1Cl ZINC000066536330 494351522 /nfs/dbraw/zinc/35/15/22/494351522.db2.gz RHEPDOBYYCDYQT-QGZVFWFLSA-N 1 1 360.889 3.100 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2CN2CCCC2)cc1Cl ZINC000066536330 494351525 /nfs/dbraw/zinc/35/15/25/494351525.db2.gz RHEPDOBYYCDYQT-QGZVFWFLSA-N 1 1 360.889 3.100 20 30 FGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000073649441 494407484 /nfs/dbraw/zinc/40/74/84/494407484.db2.gz HURKGZSUGMAUOH-RBBKRZOGSA-N 1 1 350.462 3.445 20 30 FGEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000066813009 494414080 /nfs/dbraw/zinc/41/40/80/494414080.db2.gz VPYFRLKXLZDSME-UHFFFAOYSA-N 1 1 365.437 3.210 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C[NH2+][C@H](C(N)=O)c2ccccc2)c1 ZINC000066905011 494436292 /nfs/dbraw/zinc/43/62/92/494436292.db2.gz QQZGFQWYXIVXAC-QFIPXVFZSA-N 1 1 371.440 3.453 20 30 FGEDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)cc1OC ZINC000045697182 494452615 /nfs/dbraw/zinc/45/26/15/494452615.db2.gz KPMJNMCXJJEDGD-UHFFFAOYSA-N 1 1 353.422 3.036 20 30 FGEDMO Cc1cccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000045701615 494453473 /nfs/dbraw/zinc/45/34/73/494453473.db2.gz MYHIDVDYVBXJCT-UHFFFAOYSA-N 1 1 362.477 3.284 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CCC#N)CC1 ZINC000577391380 505719320 /nfs/dbraw/zinc/71/93/20/505719320.db2.gz TXNWMKWBDQOCDW-CYBMUJFWSA-N 1 1 356.495 3.451 20 30 FGEDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccccc1-c1ccccc1C#N ZINC000074106479 494483202 /nfs/dbraw/zinc/48/32/02/494483202.db2.gz OLZALIWRKYXINA-QGZVFWFLSA-N 1 1 363.461 3.066 20 30 FGEDMO Cc1cccc(C[NH+]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000022773740 494533648 /nfs/dbraw/zinc/53/36/48/494533648.db2.gz DSAHKPKJNCJPHL-SFHVURJKSA-N 1 1 362.477 3.012 20 30 FGEDMO C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000067457019 494545677 /nfs/dbraw/zinc/54/56/77/494545677.db2.gz YIUKMUKSXGRSHL-AWEZNQCLSA-N 1 1 358.392 3.438 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000023752743 494580238 /nfs/dbraw/zinc/58/02/38/494580238.db2.gz YHZIFRIODCIKCP-UHFFFAOYSA-N 1 1 372.472 3.317 20 30 FGEDMO Cc1cc(NC(=O)[C@]2(C#N)C[C@@H]2C)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000568592456 505730680 /nfs/dbraw/zinc/73/06/80/505730680.db2.gz YUXHSCWNDCSIOM-XERREHJYSA-N 1 1 363.465 3.127 20 30 FGEDMO C=CCC[C@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000126030541 494613959 /nfs/dbraw/zinc/61/39/59/494613959.db2.gz DOCILSDOEWNCSH-LEWJYISDSA-N 1 1 372.557 3.265 20 30 FGEDMO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000067716642 494623193 /nfs/dbraw/zinc/62/31/93/494623193.db2.gz YLXMJTUZMGYPDU-CQSZACIVSA-N 1 1 365.462 3.437 20 30 FGEDMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000067716642 494623203 /nfs/dbraw/zinc/62/32/03/494623203.db2.gz YLXMJTUZMGYPDU-CQSZACIVSA-N 1 1 365.462 3.437 20 30 FGEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000115791886 494623467 /nfs/dbraw/zinc/62/34/67/494623467.db2.gz DRDSXDMKEYCHOW-INIZCTEOSA-N 1 1 367.415 3.040 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)o1 ZINC000121189025 494638060 /nfs/dbraw/zinc/63/80/60/494638060.db2.gz YOYZAQBTEJVOKF-UHFFFAOYSA-N 1 1 350.344 3.277 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)o1 ZINC000121189025 494638071 /nfs/dbraw/zinc/63/80/71/494638071.db2.gz YOYZAQBTEJVOKF-UHFFFAOYSA-N 1 1 350.344 3.277 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3cccc(F)c3[N+](=O)[O-])CC2)cc1 ZINC000057136743 494652325 /nfs/dbraw/zinc/65/23/25/494652325.db2.gz CBZANQUUMFBCKC-UHFFFAOYSA-N 1 1 354.385 3.318 20 30 FGEDMO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC(C)(C)CCC#N ZINC000092512434 494653225 /nfs/dbraw/zinc/65/32/25/494653225.db2.gz LLZTXSGNZAZOSB-UHFFFAOYSA-N 1 1 352.500 3.121 20 30 FGEDMO N#Cc1csc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000092535351 494663098 /nfs/dbraw/zinc/66/30/98/494663098.db2.gz SRVNKHQPPDSWSC-UHFFFAOYSA-N 1 1 357.454 3.036 20 30 FGEDMO N#Cc1csc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000092535351 494663100 /nfs/dbraw/zinc/66/31/00/494663100.db2.gz SRVNKHQPPDSWSC-UHFFFAOYSA-N 1 1 357.454 3.036 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000126206756 494673042 /nfs/dbraw/zinc/67/30/42/494673042.db2.gz KQWGNZQOMJORGX-SFHVURJKSA-N 1 1 368.525 3.318 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000091792273 494681681 /nfs/dbraw/zinc/68/16/81/494681681.db2.gz TWJYEPOJGMXYIQ-UHFFFAOYSA-N 1 1 357.461 3.456 20 30 FGEDMO COc1cccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1OC ZINC000091792437 494681779 /nfs/dbraw/zinc/68/17/79/494681779.db2.gz OOMQEMHFMQICID-UHFFFAOYSA-N 1 1 351.450 3.288 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000126242892 494684778 /nfs/dbraw/zinc/68/47/78/494684778.db2.gz UJGIZEMTGLFUKD-FQEVSTJZSA-N 1 1 350.462 3.357 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000126242892 494684785 /nfs/dbraw/zinc/68/47/85/494684785.db2.gz UJGIZEMTGLFUKD-FQEVSTJZSA-N 1 1 350.462 3.357 20 30 FGEDMO COCCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000092612871 494685532 /nfs/dbraw/zinc/68/55/32/494685532.db2.gz WUKPMFGLNUKUKB-UHFFFAOYSA-N 1 1 369.440 3.045 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108385853 494694419 /nfs/dbraw/zinc/69/44/19/494694419.db2.gz IMCHBXAQKWDMAS-FQEVSTJZSA-N 1 1 363.465 3.351 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108385853 494694426 /nfs/dbraw/zinc/69/44/26/494694426.db2.gz IMCHBXAQKWDMAS-FQEVSTJZSA-N 1 1 363.465 3.351 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1OC ZINC000080473805 494714519 /nfs/dbraw/zinc/71/45/19/494714519.db2.gz ZLIACTMXCIFNPJ-QGZVFWFLSA-N 1 1 358.482 3.064 20 30 FGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092706169 494719106 /nfs/dbraw/zinc/71/91/06/494719106.db2.gz ADQAGRIUCOOVRC-IBGZPJMESA-N 1 1 357.498 3.353 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C3(C#N)CCCCC3)cc2)C[C@H](C)O1 ZINC000057431008 494744144 /nfs/dbraw/zinc/74/41/44/494744144.db2.gz WHRQUJXBQMROLA-HDICACEKSA-N 1 1 369.509 3.386 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000574288000 505739261 /nfs/dbraw/zinc/73/92/61/505739261.db2.gz WVGQILROIGGWAL-NRFANRHFSA-N 1 1 359.473 3.444 20 30 FGEDMO C=CCOc1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc1OC ZINC000092789587 494749621 /nfs/dbraw/zinc/74/96/21/494749621.db2.gz ZUNMEPDLCHLFOB-UHFFFAOYSA-N 1 1 368.477 3.283 20 30 FGEDMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCOc2ccc(C#N)cc2)c(C)c1 ZINC000057456645 494754732 /nfs/dbraw/zinc/75/47/32/494754732.db2.gz AKPHBTKYYYFLHV-UHFFFAOYSA-N 1 1 351.450 3.433 20 30 FGEDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCOc2ccc(C#N)cc2)c(C)c1 ZINC000057456645 494754741 /nfs/dbraw/zinc/75/47/41/494754741.db2.gz AKPHBTKYYYFLHV-UHFFFAOYSA-N 1 1 351.450 3.433 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@H+](CCC(=O)Nc3ccccc3)CC2)cc1 ZINC000025934014 494790967 /nfs/dbraw/zinc/79/09/67/494790967.db2.gz RQAYNBMEDURBGI-UHFFFAOYSA-N 1 1 362.477 3.095 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[NH+](C)C ZINC000047914689 494793801 /nfs/dbraw/zinc/79/38/01/494793801.db2.gz SXZZGSWXIXLTQG-BEFAXECRSA-N 1 1 366.465 3.230 20 30 FGEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000026205521 494809554 /nfs/dbraw/zinc/80/95/54/494809554.db2.gz PRWJQAMXOBPCGD-INIZCTEOSA-N 1 1 362.376 3.031 20 30 FGEDMO C[C@@H](CN1CCOCC1)[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000093054350 494816787 /nfs/dbraw/zinc/81/67/87/494816787.db2.gz OIZOCLLJISTYLM-KRWDZBQOSA-N 1 1 355.507 3.343 20 30 FGEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000093201387 494842390 /nfs/dbraw/zinc/84/23/90/494842390.db2.gz CPRVJVLPUDITLW-HNNXBMFYSA-N 1 1 372.498 3.000 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CCCc2cccnc21 ZINC000126859562 494851849 /nfs/dbraw/zinc/85/18/49/494851849.db2.gz SOVRIDKGGATSFM-IBGZPJMESA-N 1 1 367.497 3.073 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)ccc1OC ZINC000093279011 494857889 /nfs/dbraw/zinc/85/78/89/494857889.db2.gz DXESXAPLKOUCRI-GOSISDBHSA-N 1 1 358.482 3.237 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121845549 494873588 /nfs/dbraw/zinc/87/35/88/494873588.db2.gz QOACZLKYKCOJNT-IBGZPJMESA-N 1 1 374.573 3.306 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCOc2ccc(F)cc2)c(C#N)c1C ZINC000027681636 494880368 /nfs/dbraw/zinc/88/03/68/494880368.db2.gz QXYXIDFDBOPZQF-CYBMUJFWSA-N 1 1 359.401 3.245 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCOc2ccc(F)cc2)c(C#N)c1C ZINC000027681636 494880371 /nfs/dbraw/zinc/88/03/71/494880371.db2.gz QXYXIDFDBOPZQF-CYBMUJFWSA-N 1 1 359.401 3.245 20 30 FGEDMO C=CCc1cc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)cc(OC)c1O ZINC000093413274 494887956 /nfs/dbraw/zinc/88/79/56/494887956.db2.gz VSFPMMATBPPVKP-QGZVFWFLSA-N 1 1 367.493 3.403 20 30 FGEDMO CC[N@H+](Cc1cnc2ccc(C#N)cn12)CC1CCN(c2ccccn2)CC1 ZINC000093564653 494901501 /nfs/dbraw/zinc/90/15/01/494901501.db2.gz UPKAIWQORPTGDX-UHFFFAOYSA-N 1 1 374.492 3.339 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1OCCCC#N ZINC000093691674 494913811 /nfs/dbraw/zinc/91/38/11/494913811.db2.gz HXDSIXLVMZLXOQ-IBGZPJMESA-N 1 1 367.449 3.426 20 30 FGEDMO CC[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1CCOC ZINC000117442426 494919826 /nfs/dbraw/zinc/91/98/26/494919826.db2.gz ACQGDDTZAPDDTP-GOSISDBHSA-N 1 1 358.486 3.062 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2c(F)cc(C#N)cc2F)cc1F ZINC000127338139 494930536 /nfs/dbraw/zinc/93/05/36/494930536.db2.gz GQYCXJMALUMLFP-UHFFFAOYSA-N 1 1 370.334 3.400 20 30 FGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000122453705 494978813 /nfs/dbraw/zinc/97/88/13/494978813.db2.gz WYJGCEZTNZDXPB-AWEZNQCLSA-N 1 1 366.412 3.259 20 30 FGEDMO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)C ZINC000110987851 495029290 /nfs/dbraw/zinc/02/92/90/495029290.db2.gz HHANNEDSEGPVLO-UHFFFAOYSA-N 1 1 365.861 3.061 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128061216 495039065 /nfs/dbraw/zinc/03/90/65/495039065.db2.gz CCNXGLMJEOILKZ-ZDUSSCGKSA-N 1 1 357.376 3.025 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128061216 495039068 /nfs/dbraw/zinc/03/90/68/495039068.db2.gz CCNXGLMJEOILKZ-ZDUSSCGKSA-N 1 1 357.376 3.025 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000111261509 495056368 /nfs/dbraw/zinc/05/63/68/495056368.db2.gz QXIIQLLWRLGKBY-UHFFFAOYSA-N 1 1 363.461 3.426 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CC2CCC2)c1C#N ZINC000111296767 495060975 /nfs/dbraw/zinc/06/09/75/495060975.db2.gz UZIZLQWYDYKEBQ-UHFFFAOYSA-N 1 1 354.454 3.288 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000128259300 495068758 /nfs/dbraw/zinc/06/87/58/495068758.db2.gz JYRIMRYCVMEDNJ-WMZOPIPTSA-N 1 1 372.852 3.105 20 30 FGEDMO C[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000111503834 495082915 /nfs/dbraw/zinc/08/29/15/495082915.db2.gz JZLINYCGNZHXAE-QGZVFWFLSA-N 1 1 350.466 3.220 20 30 FGEDMO CC(C)[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1 ZINC000123210727 495097624 /nfs/dbraw/zinc/09/76/24/495097624.db2.gz KYXYQZBZMKMCBT-UHFFFAOYSA-N 1 1 351.406 3.136 20 30 FGEDMO CC(C)[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1 ZINC000123210727 495097628 /nfs/dbraw/zinc/09/76/28/495097628.db2.gz KYXYQZBZMKMCBT-UHFFFAOYSA-N 1 1 351.406 3.136 20 30 FGEDMO C#Cc1cccc(NC(=O)NCC2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000111717777 495099450 /nfs/dbraw/zinc/09/94/50/495099450.db2.gz KCTHHECBJKLWHX-UHFFFAOYSA-N 1 1 368.506 3.467 20 30 FGEDMO Cc1cc(N2CCC(N(C)C(=O)c3ccc(C#N)cc3C)CC2)nc(C)[nH+]1 ZINC000119157787 495105876 /nfs/dbraw/zinc/10/58/76/495105876.db2.gz FQDHJXJFDJFHMT-UHFFFAOYSA-N 1 1 363.465 3.015 20 30 FGEDMO Cc1cccc(C[NH+]2CCC(NCc3cnc4ccc(C#N)cn34)CC2)c1 ZINC000123324064 495115005 /nfs/dbraw/zinc/11/50/05/495115005.db2.gz QUCOFKREHALELZ-UHFFFAOYSA-N 1 1 359.477 3.269 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000102925929 495173168 /nfs/dbraw/zinc/17/31/68/495173168.db2.gz HCMCGFPVSWLGBC-LJQANCHMSA-N 1 1 372.513 3.216 20 30 FGEDMO N#Cc1ccc2ncc(CNC[C@@H]3CCC[N@H+]3CC3CCCCC3)n2c1 ZINC000123702185 495173861 /nfs/dbraw/zinc/17/38/61/495173861.db2.gz OEUSBEBVVFIMGI-IBGZPJMESA-N 1 1 351.498 3.340 20 30 FGEDMO C=CCOc1ccc(C[N@H+](CC(=O)NC[C@@H]2CCCO2)C(C)(C)C)cc1 ZINC000134853634 495209923 /nfs/dbraw/zinc/20/99/23/495209923.db2.gz YFFSBFYEBYPAFQ-IBGZPJMESA-N 1 1 360.498 3.147 20 30 FGEDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000119929480 495271606 /nfs/dbraw/zinc/27/16/06/495271606.db2.gz WRJOJNLCJUPLJX-UHFFFAOYSA-N 1 1 372.513 3.310 20 30 FGEDMO CCOc1cc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)ccc1OC ZINC000129660546 495277380 /nfs/dbraw/zinc/27/73/80/495277380.db2.gz CCBXTPKMVGQTQB-UHFFFAOYSA-N 1 1 366.465 3.073 20 30 FGEDMO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714375 495300098 /nfs/dbraw/zinc/30/00/98/495300098.db2.gz BAVGHXATSWNDSU-GOSISDBHSA-N 1 1 355.482 3.193 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000135512219 495304328 /nfs/dbraw/zinc/30/43/28/495304328.db2.gz KDJJFAVMFWNJEH-KBXCAEBGSA-N 1 1 374.847 3.112 20 30 FGEDMO N#Cc1ccc(OCC[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000104770836 495304396 /nfs/dbraw/zinc/30/43/96/495304396.db2.gz ULKPOPPZTGOXAK-UHFFFAOYSA-N 1 1 355.869 3.408 20 30 FGEDMO C[C@@H]1C[C@H](CNCc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000120332065 495353771 /nfs/dbraw/zinc/35/37/71/495353771.db2.gz AQAUHZKFLUMHDW-YLJYHZDGSA-N 1 1 359.477 3.206 20 30 FGEDMO C[C@H]1C[C@H](CNCc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000120332218 495353938 /nfs/dbraw/zinc/35/39/38/495353938.db2.gz AQAUHZKFLUMHDW-FXAWDEMLSA-N 1 1 359.477 3.206 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130268547 495365422 /nfs/dbraw/zinc/36/54/22/495365422.db2.gz PPJSCLAMTZRQCB-UHFFFAOYSA-N 1 1 364.405 3.460 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000114501591 495386702 /nfs/dbraw/zinc/38/67/02/495386702.db2.gz CKFFOSWPGBMELZ-KGLIPLIRSA-N 1 1 352.450 3.307 20 30 FGEDMO CCC[N@@H+](CC(=O)N(C)Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000114714606 495413714 /nfs/dbraw/zinc/41/37/14/495413714.db2.gz ZFSZPTITFLJIFY-UHFFFAOYSA-N 1 1 365.477 3.437 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCC1CCOCC1 ZINC000120603105 495415144 /nfs/dbraw/zinc/41/51/44/495415144.db2.gz IIKAHIOIRMZZCJ-ZDUSSCGKSA-N 1 1 361.511 3.184 20 30 FGEDMO CC(C)[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000114729325 495417720 /nfs/dbraw/zinc/41/77/20/495417720.db2.gz PFYVKOHIMLADHR-QGZVFWFLSA-N 1 1 365.481 3.441 20 30 FGEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000114729325 495417725 /nfs/dbraw/zinc/41/77/25/495417725.db2.gz PFYVKOHIMLADHR-QGZVFWFLSA-N 1 1 365.481 3.441 20 30 FGEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)N(CC)CC)CC1 ZINC000106335969 495445402 /nfs/dbraw/zinc/44/54/02/495445402.db2.gz WQVBHMJRFDYVOR-GOSISDBHSA-N 1 1 362.518 3.002 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H](C)O)cc1OCC ZINC000130822554 495450949 /nfs/dbraw/zinc/45/09/49/495450949.db2.gz YNTALEHZAGNDMX-GFCCVEGCSA-N 1 1 358.276 3.225 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000125558959 495462826 /nfs/dbraw/zinc/46/28/26/495462826.db2.gz GYROIGVHKMREDM-UHFFFAOYSA-N 1 1 372.490 3.110 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000125558959 495462829 /nfs/dbraw/zinc/46/28/29/495462829.db2.gz GYROIGVHKMREDM-UHFFFAOYSA-N 1 1 372.490 3.110 20 30 FGEDMO C=CCOc1cccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)c1 ZINC000120861713 495473304 /nfs/dbraw/zinc/47/33/04/495473304.db2.gz DDWOTNDSRPCUKE-UHFFFAOYSA-N 1 1 362.424 3.161 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCC(=O)NCC1CC1 ZINC000131188156 495503660 /nfs/dbraw/zinc/50/36/60/495503660.db2.gz WGNFXRBUOHNQHB-UHFFFAOYSA-N 1 1 363.461 3.095 20 30 FGEDMO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000115533728 495514759 /nfs/dbraw/zinc/51/47/59/495514759.db2.gz MCZZDNQITAHOEN-NRFANRHFSA-N 1 1 358.445 3.446 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)C(N)=O)cc1 ZINC000115597107 495520716 /nfs/dbraw/zinc/52/07/16/495520716.db2.gz PNZRDWYIWLAECI-QFIPXVFZSA-N 1 1 371.440 3.453 20 30 FGEDMO CC(C)C[C@H](CO)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000185365398 495549817 /nfs/dbraw/zinc/54/98/17/495549817.db2.gz KTCBXBUYTVKAFZ-JKSUJKDBSA-N 1 1 363.527 3.216 20 30 FGEDMO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cc2ccccc2o1 ZINC000182631074 495642251 /nfs/dbraw/zinc/64/22/51/495642251.db2.gz CLEQPHMCCFIJQE-AWEZNQCLSA-N 1 1 354.431 3.429 20 30 FGEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000182632967 495644043 /nfs/dbraw/zinc/64/40/43/495644043.db2.gz CMMHPDINZLOTIS-CQSZACIVSA-N 1 1 354.431 3.429 20 30 FGEDMO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCSCC#N ZINC000173864614 495724031 /nfs/dbraw/zinc/72/40/31/495724031.db2.gz JNJLYUPZVYDWAK-UHFFFAOYSA-N 1 1 370.316 3.275 20 30 FGEDMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCCSCC#N ZINC000173864614 495724038 /nfs/dbraw/zinc/72/40/38/495724038.db2.gz JNJLYUPZVYDWAK-UHFFFAOYSA-N 1 1 370.316 3.275 20 30 FGEDMO C[NH+](C)CCCC1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000182995212 495791129 /nfs/dbraw/zinc/79/11/29/495791129.db2.gz QMKIQCUIHCDAOH-NRFANRHFSA-N 1 1 368.525 3.107 20 30 FGEDMO C[C@H]1C[C@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@H+]1C ZINC000177056923 495904823 /nfs/dbraw/zinc/90/48/23/495904823.db2.gz FCGUGUVLXTWFBV-DOTOQJQBSA-N 1 1 362.905 3.001 20 30 FGEDMO CC[C@@H]1CCCC[N@H+]1CCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180207103 495905703 /nfs/dbraw/zinc/90/57/03/495905703.db2.gz PMHQMWCZRNHFEV-HXUWFJFHSA-N 1 1 351.498 3.313 20 30 FGEDMO CC[C@@H]1CCCCN1CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180207103 495905709 /nfs/dbraw/zinc/90/57/09/495905709.db2.gz PMHQMWCZRNHFEV-HXUWFJFHSA-N 1 1 351.498 3.313 20 30 FGEDMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000183411006 495971358 /nfs/dbraw/zinc/97/13/58/495971358.db2.gz PUPYNBONIXOHEO-JKSUJKDBSA-N 1 1 353.445 3.019 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000155657779 496027957 /nfs/dbraw/zinc/02/79/57/496027957.db2.gz KLBBRUOJQQWWOV-UHFFFAOYSA-N 1 1 358.486 3.161 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000174644260 496044100 /nfs/dbraw/zinc/04/41/00/496044100.db2.gz XPXAPDYXUWAUNE-FQEVSTJZSA-N 1 1 351.425 3.368 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177488852 496083043 /nfs/dbraw/zinc/08/30/43/496083043.db2.gz HLIVTTNYEMMLDZ-QGZVFWFLSA-N 1 1 361.530 3.389 20 30 FGEDMO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccc(Cl)c1Cl ZINC000183767209 496110429 /nfs/dbraw/zinc/11/04/29/496110429.db2.gz DZWTWCSHFUEFPS-LBPRGKRZSA-N 1 1 353.253 3.300 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)NCc2cc(C#N)ccc2F)C[N@H+]1Cc1ccccc1 ZINC000152373806 496131311 /nfs/dbraw/zinc/13/13/11/496131311.db2.gz WETLCHBLDFXTMX-DNVCBOLYSA-N 1 1 366.440 3.160 20 30 FGEDMO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cc(Cl)ccc1Cl ZINC000186774301 496143634 /nfs/dbraw/zinc/14/36/34/496143634.db2.gz APJYONCIDYTJOB-LBPRGKRZSA-N 1 1 353.253 3.300 20 30 FGEDMO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)c1OC ZINC000580739321 505826333 /nfs/dbraw/zinc/82/63/33/505826333.db2.gz KEPHPISLIQWYQA-FQEVSTJZSA-N 1 1 365.477 3.395 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)ccc1Cl ZINC000177758764 496185497 /nfs/dbraw/zinc/18/54/97/496185497.db2.gz MDRWOKXGGDXDQE-GOSISDBHSA-N 1 1 374.916 3.065 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCCO1 ZINC000172173403 496194664 /nfs/dbraw/zinc/19/46/64/496194664.db2.gz PVTIZSXIBNSHKE-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO C[N@H+](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000175012229 496207352 /nfs/dbraw/zinc/20/73/52/496207352.db2.gz SMGNFXCREXHQEL-UHFFFAOYSA-N 1 1 360.379 3.305 20 30 FGEDMO C[N@@H+](CC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000175012229 496207356 /nfs/dbraw/zinc/20/73/56/496207356.db2.gz SMGNFXCREXHQEL-UHFFFAOYSA-N 1 1 360.379 3.305 20 30 FGEDMO COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000156332649 496217321 /nfs/dbraw/zinc/21/73/21/496217321.db2.gz LQDPVWGRHHOGIM-UHFFFAOYSA-N 1 1 355.463 3.023 20 30 FGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1OCC(=O)N(C)C ZINC000177859948 496227285 /nfs/dbraw/zinc/22/72/85/496227285.db2.gz UTHZJEPCPQZPPH-LJQANCHMSA-N 1 1 369.440 3.405 20 30 FGEDMO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1n1ccnc1 ZINC000156413848 496238686 /nfs/dbraw/zinc/23/86/86/496238686.db2.gz TYIQZRMOAKFUPZ-RDJZCZTQSA-N 1 1 369.494 3.020 20 30 FGEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1n1ccnc1 ZINC000156413848 496238690 /nfs/dbraw/zinc/23/86/90/496238690.db2.gz TYIQZRMOAKFUPZ-RDJZCZTQSA-N 1 1 369.494 3.020 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000156442006 496247038 /nfs/dbraw/zinc/24/70/38/496247038.db2.gz PYKNOFZNAKIWCY-GFCCVEGCSA-N 1 1 352.278 3.408 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000156442006 496247041 /nfs/dbraw/zinc/24/70/41/496247041.db2.gz PYKNOFZNAKIWCY-GFCCVEGCSA-N 1 1 352.278 3.408 20 30 FGEDMO N#Cc1ccc2ncc(C[NH2+]Cc3cc(F)ccc3Br)n2c1 ZINC000172338871 496258736 /nfs/dbraw/zinc/25/87/36/496258736.db2.gz IXAHBMVZMHOYGW-UHFFFAOYSA-N 1 1 359.202 3.397 20 30 FGEDMO C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000161906661 496260529 /nfs/dbraw/zinc/26/05/29/496260529.db2.gz TXJSVJLTZZNKSU-ZBEGNZNMSA-N 1 1 358.239 3.198 20 30 FGEDMO CCOC(=O)COc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000156512218 496265781 /nfs/dbraw/zinc/26/57/81/496265781.db2.gz NATLFEPKIWFEGW-UHFFFAOYSA-N 1 1 356.397 3.271 20 30 FGEDMO CCOC(=O)COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000156512218 496265784 /nfs/dbraw/zinc/26/57/84/496265784.db2.gz NATLFEPKIWFEGW-UHFFFAOYSA-N 1 1 356.397 3.271 20 30 FGEDMO C=CCn1c(-c2ccoc2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000577988482 505835270 /nfs/dbraw/zinc/83/52/70/505835270.db2.gz SIYUVJPXMGLBDO-LJQANCHMSA-N 1 1 363.465 3.435 20 30 FGEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000178042923 496301121 /nfs/dbraw/zinc/30/11/21/496301121.db2.gz PIGWZXNCJYTDGL-GFCCVEGCSA-N 1 1 354.376 3.383 20 30 FGEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156662000 496304876 /nfs/dbraw/zinc/30/48/76/496304876.db2.gz OWKOUSQTSIFYQM-LEOXJPRUSA-N 1 1 363.505 3.434 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156662000 496304905 /nfs/dbraw/zinc/30/49/05/496304905.db2.gz OWKOUSQTSIFYQM-LEOXJPRUSA-N 1 1 363.505 3.434 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156662000 496304911 /nfs/dbraw/zinc/30/49/11/496304911.db2.gz OWKOUSQTSIFYQM-LEOXJPRUSA-N 1 1 363.505 3.434 20 30 FGEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)C(C)C)nnc1-c1cccc(C)c1 ZINC000574704051 505836280 /nfs/dbraw/zinc/83/62/80/505836280.db2.gz QTTLBYVIYRMGJY-QGZVFWFLSA-N 1 1 360.527 3.233 20 30 FGEDMO Cc1csc(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000156698311 496313420 /nfs/dbraw/zinc/31/34/20/496313420.db2.gz KUVNPUCNXBZQDT-HNNXBMFYSA-N 1 1 360.527 3.362 20 30 FGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)cc1 ZINC000175277919 496319700 /nfs/dbraw/zinc/31/97/00/496319700.db2.gz GJYHKXFXEGEOPI-QFIPXVFZSA-N 1 1 361.489 3.471 20 30 FGEDMO C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000172507782 496321837 /nfs/dbraw/zinc/32/18/37/496321837.db2.gz ILAYCKYOMNIYMS-KRWDZBQOSA-N 1 1 359.473 3.496 20 30 FGEDMO CC[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000172527492 496328193 /nfs/dbraw/zinc/32/81/93/496328193.db2.gz YZAZQXVMCKEZQQ-INIZCTEOSA-N 1 1 372.490 3.424 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181370880 496371223 /nfs/dbraw/zinc/37/12/23/496371223.db2.gz ZAYCKXIYAFPVMB-SJCJKPOMSA-N 1 1 360.820 3.102 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+](CCO)Cc1ccccc1)c1cccc(Cl)c1 ZINC000153173423 496374196 /nfs/dbraw/zinc/37/41/96/496374196.db2.gz TWBBFSDOXZTVCL-UHFFFAOYSA-N 1 1 371.868 3.081 20 30 FGEDMO N#CCCN(C(=O)C[N@H+](CCO)Cc1ccccc1)c1cccc(Cl)c1 ZINC000153173423 496374200 /nfs/dbraw/zinc/37/42/00/496374200.db2.gz TWBBFSDOXZTVCL-UHFFFAOYSA-N 1 1 371.868 3.081 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCc1ccncc1 ZINC000181468253 496409447 /nfs/dbraw/zinc/40/94/47/496409447.db2.gz MUAVXXZIRMLHAB-MRXNPFEDSA-N 1 1 368.506 3.446 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCc1ccncc1 ZINC000181468253 496409450 /nfs/dbraw/zinc/40/94/50/496409450.db2.gz MUAVXXZIRMLHAB-MRXNPFEDSA-N 1 1 368.506 3.446 20 30 FGEDMO C[N@H+]1CCC[C@@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000157171437 496421441 /nfs/dbraw/zinc/42/14/41/496421441.db2.gz XESXODBTZDBJFK-AEFFLSMTSA-N 1 1 352.400 3.353 20 30 FGEDMO C[C@H](NC(=O)CSc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181546324 496440401 /nfs/dbraw/zinc/44/04/01/496440401.db2.gz JWJQBKAOEQOIJN-RDJZCZTQSA-N 1 1 357.523 3.420 20 30 FGEDMO N#CCOc1ccc(/C=C/C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000153436502 496454988 /nfs/dbraw/zinc/45/49/88/496454988.db2.gz DVGIFPUJMDOCTI-ZGIYREAWSA-N 1 1 365.477 3.077 20 30 FGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181616121 496471168 /nfs/dbraw/zinc/47/11/68/496471168.db2.gz QBFNCHGROAPNFO-SFHVURJKSA-N 1 1 369.421 3.117 20 30 FGEDMO C[C@@H](NCc1ccccc1OCC[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000181626979 496476550 /nfs/dbraw/zinc/47/65/50/496476550.db2.gz DYFFUKFFBMHSRC-QGZVFWFLSA-N 1 1 353.466 3.380 20 30 FGEDMO Cc1c(C#N)cccc1NC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000178538744 496492613 /nfs/dbraw/zinc/49/26/13/496492613.db2.gz RMJLFJXSFXYDKQ-UHFFFAOYSA-N 1 1 364.449 3.021 20 30 FGEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c1ccc(F)c(F)c1 ZINC000187774944 496566193 /nfs/dbraw/zinc/56/61/93/496566193.db2.gz AGEQDCGPPPEPSN-BLLLJJGKSA-N 1 1 353.413 3.042 20 30 FGEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(F)c(F)c1 ZINC000187772904 496566466 /nfs/dbraw/zinc/56/64/66/496566466.db2.gz QCSRALQZUJMPRS-KZULUSFZSA-N 1 1 373.403 3.298 20 30 FGEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 ZINC000187783959 496570089 /nfs/dbraw/zinc/57/00/89/496570089.db2.gz VQJNSKKUCHXWCM-HXUWFJFHSA-N 1 1 374.387 3.217 20 30 FGEDMO C[C@@]1(CNC(=O)NCc2ccc(C#N)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000153776955 496576197 /nfs/dbraw/zinc/57/61/97/496576197.db2.gz QJYLAVYQSCVKQW-QFIPXVFZSA-N 1 1 362.477 3.412 20 30 FGEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)C(C)C)nnc1-c1ccccc1C ZINC000574771180 505852619 /nfs/dbraw/zinc/85/26/19/505852619.db2.gz UKSZOUHVXKQVJE-MRXNPFEDSA-N 1 1 360.527 3.233 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(NCc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000181920792 496600235 /nfs/dbraw/zinc/60/02/35/496600235.db2.gz BQHFQEYEHMUGED-UHFFFAOYSA-N 1 1 350.422 3.221 20 30 FGEDMO C[C@@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)CC[N@H+]1Cc1ccccc1 ZINC000175977727 496627785 /nfs/dbraw/zinc/62/77/85/496627785.db2.gz GQAZGKSXHYDPJD-YLJYHZDGSA-N 1 1 359.477 3.349 20 30 FGEDMO C[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CCN1Cc1ccccc1 ZINC000175977727 496627790 /nfs/dbraw/zinc/62/77/90/496627790.db2.gz GQAZGKSXHYDPJD-YLJYHZDGSA-N 1 1 359.477 3.349 20 30 FGEDMO COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000158122334 496631444 /nfs/dbraw/zinc/63/14/44/496631444.db2.gz CFSQIAWGIPCHRV-GOSISDBHSA-N 1 1 363.461 3.431 20 30 FGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000578081220 505857314 /nfs/dbraw/zinc/85/73/14/505857314.db2.gz PDLFXYFDQLTFMN-AWEZNQCLSA-N 1 1 350.422 3.334 20 30 FGEDMO CC[N@@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000158218473 496652174 /nfs/dbraw/zinc/65/21/74/496652174.db2.gz BNETWWMTPKYPJR-ZDUSSCGKSA-N 1 1 363.527 3.308 20 30 FGEDMO COc1cccc(-c2noc([C@H](C)[NH2+]C[C@@H](O)c3ccc(C#N)cc3)n2)c1 ZINC000185118974 496667576 /nfs/dbraw/zinc/66/75/76/496667576.db2.gz IIUMNKHNCDLVRN-SCLBCKFNSA-N 1 1 364.405 3.001 20 30 FGEDMO COc1cccc(-c2noc([C@H](C)[NH2+]C[C@H](O)c3ccc(C#N)cc3)n2)c1 ZINC000185118056 496668140 /nfs/dbraw/zinc/66/81/40/496668140.db2.gz IIUMNKHNCDLVRN-UGSOOPFHSA-N 1 1 364.405 3.001 20 30 FGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182212429 496708821 /nfs/dbraw/zinc/70/88/21/496708821.db2.gz GCCJMZDTAJWURF-GOSISDBHSA-N 1 1 369.421 3.118 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(C#N)cc1F ZINC000179273636 496724415 /nfs/dbraw/zinc/72/44/15/496724415.db2.gz CIDNTVVYWPBJAN-UHFFFAOYSA-N 1 1 368.456 3.407 20 30 FGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268913457 496822370 /nfs/dbraw/zinc/82/23/70/496822370.db2.gz UNAJTMHOHYKYRE-CQSZACIVSA-N 1 1 372.481 3.374 20 30 FGEDMO CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268989590 496843415 /nfs/dbraw/zinc/84/34/15/496843415.db2.gz RMEPBMWUSOGDEM-DOTOQJQBSA-N 1 1 366.465 3.412 20 30 FGEDMO CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268989590 496843419 /nfs/dbraw/zinc/84/34/19/496843419.db2.gz RMEPBMWUSOGDEM-DOTOQJQBSA-N 1 1 366.465 3.412 20 30 FGEDMO C=CC[C@@H]1[N@H+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000277682730 496851326 /nfs/dbraw/zinc/85/13/26/496851326.db2.gz GNIKWRJHQFYTOO-ROUUACIJSA-N 1 1 351.512 3.190 20 30 FGEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000191803792 496894847 /nfs/dbraw/zinc/89/48/47/496894847.db2.gz NZDIUYJVKMFXKF-OAHLLOKOSA-N 1 1 350.304 3.484 20 30 FGEDMO CN(C)C(=O)CC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000191823612 496901586 /nfs/dbraw/zinc/90/15/86/496901586.db2.gz GPNAEQFSZXICOC-UHFFFAOYSA-N 1 1 364.287 3.011 20 30 FGEDMO COCCO[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000188814244 496916953 /nfs/dbraw/zinc/91/69/53/496916953.db2.gz KCNQBEQWHFIEBN-QFIPXVFZSA-N 1 1 366.461 3.375 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247956292 496932330 /nfs/dbraw/zinc/93/23/30/496932330.db2.gz FQGOURLSKIIWTD-LLGFUMIMSA-N 1 1 373.472 3.088 20 30 FGEDMO N#CCOc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000264584261 496935530 /nfs/dbraw/zinc/93/55/30/496935530.db2.gz DKMFDCGSLAEMIP-FQEVSTJZSA-N 1 1 352.434 3.476 20 30 FGEDMO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1OC ZINC000248138209 496961936 /nfs/dbraw/zinc/96/19/36/496961936.db2.gz XZJNEMYZJLVMNV-WIYYLYMNSA-N 1 1 366.461 3.435 20 30 FGEDMO C=C(C)CN(CC)C(=O)CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248392781 496992703 /nfs/dbraw/zinc/99/27/03/496992703.db2.gz FWRFOUNMGUVAIA-NGRWLJPCSA-N 1 1 357.542 3.157 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248465660 497022261 /nfs/dbraw/zinc/02/22/61/497022261.db2.gz RUZURMOVWQCJMT-CRAIPNDOSA-N 1 1 359.445 3.010 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248465660 497022267 /nfs/dbraw/zinc/02/22/67/497022267.db2.gz RUZURMOVWQCJMT-CRAIPNDOSA-N 1 1 359.445 3.010 20 30 FGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000265023492 497033172 /nfs/dbraw/zinc/03/31/72/497033172.db2.gz YVPSFRVAJUUBEV-UHFFFAOYSA-N 1 1 363.461 3.174 20 30 FGEDMO CCOC1CC([N@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000572068714 505881505 /nfs/dbraw/zinc/88/15/05/505881505.db2.gz NOQVPHBSXNXVLY-FHERZECASA-N 1 1 361.511 3.376 20 30 FGEDMO CCOC1CC([N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000572068714 505881507 /nfs/dbraw/zinc/88/15/07/505881507.db2.gz NOQVPHBSXNXVLY-FHERZECASA-N 1 1 361.511 3.376 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227302642 497087991 /nfs/dbraw/zinc/08/79/91/497087991.db2.gz AOMGWGZDMWZYDI-UEXGIBASSA-N 1 1 371.525 3.446 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)Nc3cccc(Cl)c3)C2)nc1 ZINC000580988561 505883901 /nfs/dbraw/zinc/88/39/01/505883901.db2.gz OKEUIPGWGHHRSO-QGZVFWFLSA-N 1 1 370.840 3.089 20 30 FGEDMO C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000248806944 497107432 /nfs/dbraw/zinc/10/74/32/497107432.db2.gz GZMWECVOBMLFAQ-HZPDHXFCSA-N 1 1 359.474 3.006 20 30 FGEDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(C#N)cn3)C2)cc1 ZINC000578202442 505885887 /nfs/dbraw/zinc/88/58/87/505885887.db2.gz MXPXMULHBJHVLQ-GOSISDBHSA-N 1 1 363.465 3.295 20 30 FGEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000278536843 497146278 /nfs/dbraw/zinc/14/62/78/497146278.db2.gz FTPVHRGEJKYCHH-JSGCOSHPSA-N 1 1 368.359 3.428 20 30 FGEDMO CCC(CC)[C@H](CNCc1cn(CCC#N)nc1-c1ccncc1)[NH+](C)C ZINC000278587442 497158466 /nfs/dbraw/zinc/15/84/66/497158466.db2.gz GPTSDSBOLORQDB-FQEVSTJZSA-N 1 1 368.529 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C[C@H](NC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329845991 497924438 /nfs/dbraw/zinc/92/44/38/497924438.db2.gz MAKOVWWIFSBOHO-OGWHTMIXSA-N 1 1 365.562 3.282 20 30 FGEDMO Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000329854676 497929215 /nfs/dbraw/zinc/92/92/15/497929215.db2.gz SUQLNSQIMQMRIH-GOSISDBHSA-N 1 1 374.529 3.471 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ccncc3)c2C(F)F)C[N@H+]1C1CC1 ZINC000329891865 497941128 /nfs/dbraw/zinc/94/11/28/497941128.db2.gz IMCXVTKZZVRYEP-NEPJUHHUSA-N 1 1 361.396 3.135 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@](CO)(CCC)C1 ZINC000288916989 497941807 /nfs/dbraw/zinc/94/18/07/497941807.db2.gz URBJUGKGMOTWOL-LPHOPBHVSA-N 1 1 350.528 3.136 20 30 FGEDMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cc2n(n1)CCCO2 ZINC000329902074 497945702 /nfs/dbraw/zinc/94/57/02/497945702.db2.gz PCUYNLUFOCHISR-QGZVFWFLSA-N 1 1 354.454 3.025 20 30 FGEDMO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1(C)C ZINC000296198648 497952633 /nfs/dbraw/zinc/95/26/33/497952633.db2.gz VZMAAUPZIIPMRP-IEBWSBKVSA-N 1 1 357.498 3.377 20 30 FGEDMO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)C1 ZINC000329919120 497952658 /nfs/dbraw/zinc/95/26/58/497952658.db2.gz DBNDRVHGHPMTCD-CHWSQXEVSA-N 1 1 372.448 3.387 20 30 FGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)C1 ZINC000329919120 497952660 /nfs/dbraw/zinc/95/26/60/497952660.db2.gz DBNDRVHGHPMTCD-CHWSQXEVSA-N 1 1 372.448 3.387 20 30 FGEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000329938185 497961513 /nfs/dbraw/zinc/96/15/13/497961513.db2.gz SKHOZWRLCSAHQX-RTBURBONSA-N 1 1 370.497 3.027 20 30 FGEDMO N#CCC[C@H](C#N)CN[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000578499583 505955336 /nfs/dbraw/zinc/95/53/36/505955336.db2.gz RQTMCZKBYCDOKG-WBVHZDCISA-N 1 1 350.388 3.313 20 30 FGEDMO N#CCC[C@H](C#N)CN[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000578499583 505955338 /nfs/dbraw/zinc/95/53/38/505955338.db2.gz RQTMCZKBYCDOKG-WBVHZDCISA-N 1 1 350.388 3.313 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000330011066 497989512 /nfs/dbraw/zinc/98/95/12/497989512.db2.gz IMHKNDIGOCVACG-AEFFLSMTSA-N 1 1 365.437 3.057 20 30 FGEDMO Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000330015865 497991516 /nfs/dbraw/zinc/99/15/16/497991516.db2.gz ORNSVMMWNITUDI-OAHLLOKOSA-N 1 1 361.486 3.274 20 30 FGEDMO C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ncnn1C ZINC000330020236 497993806 /nfs/dbraw/zinc/99/38/06/497993806.db2.gz WJJIRSXWHKRSES-DZGCQCFKSA-N 1 1 356.474 3.339 20 30 FGEDMO CCN(C(=O)N[C@@H]1CCCc2c[nH]nc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000330026876 497995209 /nfs/dbraw/zinc/99/52/09/497995209.db2.gz MDTUVIHABAWSTN-RBUKOAKNSA-N 1 1 367.497 3.298 20 30 FGEDMO CCN(C(=O)N[C@@H]1CCCc2cn[nH]c21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000330026876 497995220 /nfs/dbraw/zinc/99/52/20/497995220.db2.gz MDTUVIHABAWSTN-RBUKOAKNSA-N 1 1 367.497 3.298 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000330050713 498003397 /nfs/dbraw/zinc/00/33/97/498003397.db2.gz MERHPDBHMBRAEL-VQIMIIECSA-N 1 1 373.545 3.158 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000330050713 498003405 /nfs/dbraw/zinc/00/34/05/498003405.db2.gz MERHPDBHMBRAEL-VQIMIIECSA-N 1 1 373.545 3.158 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000330050713 498003412 /nfs/dbraw/zinc/00/34/12/498003412.db2.gz MERHPDBHMBRAEL-VQIMIIECSA-N 1 1 373.545 3.158 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC(NC(=O)C3CCC3)C2)C1 ZINC000330174333 498049179 /nfs/dbraw/zinc/04/91/79/498049179.db2.gz IBAASBAQEDFAIV-QAPCUYQASA-N 1 1 370.497 3.177 20 30 FGEDMO Cc1cc(F)ccc1C1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330206087 498061278 /nfs/dbraw/zinc/06/12/78/498061278.db2.gz DXFYLCHARNBETO-QGZVFWFLSA-N 1 1 356.445 3.439 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3ccc4ccccc4c23)C1=O ZINC000281251919 498074301 /nfs/dbraw/zinc/07/43/01/498074301.db2.gz GWLAMZDBQLIFJB-GOSISDBHSA-N 1 1 362.429 3.165 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3ccc4ccccc4c23)C1=O ZINC000281251919 498074309 /nfs/dbraw/zinc/07/43/09/498074309.db2.gz GWLAMZDBQLIFJB-GOSISDBHSA-N 1 1 362.429 3.165 20 30 FGEDMO CC(C)n1ncc2cc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)cnc21 ZINC000581381738 505975974 /nfs/dbraw/zinc/97/59/74/505975974.db2.gz ZGAHERJMZRBPLF-UHFFFAOYSA-N 1 1 360.465 3.465 20 30 FGEDMO Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1F ZINC000330326327 498105338 /nfs/dbraw/zinc/10/53/38/498105338.db2.gz JZTNWEBGVGOVMP-HNAYVOBHSA-N 1 1 373.476 3.428 20 30 FGEDMO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000330335221 498109531 /nfs/dbraw/zinc/10/95/31/498109531.db2.gz RJIBZVJIBKSLBX-ZYSHUDEJSA-N 1 1 360.502 3.344 20 30 FGEDMO C#CCNC(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1 ZINC000301440149 498110538 /nfs/dbraw/zinc/11/05/38/498110538.db2.gz TZZRWYGXEPSZTP-KXBFYZLASA-N 1 1 368.506 3.001 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000330346720 498113672 /nfs/dbraw/zinc/11/36/72/498113672.db2.gz GYCPLMUPINOLFX-KRWDZBQOSA-N 1 1 350.434 3.456 20 30 FGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000296606249 498118238 /nfs/dbraw/zinc/11/82/38/498118238.db2.gz DVVXHXNRYCCUCR-HOTGVXAUSA-N 1 1 356.470 3.316 20 30 FGEDMO C=CCOc1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000296649526 498136969 /nfs/dbraw/zinc/13/69/69/498136969.db2.gz YKRWIPDKTNNKNC-DFNIBXOVSA-N 1 1 373.497 3.357 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000330663416 498168774 /nfs/dbraw/zinc/16/87/74/498168774.db2.gz FBUBPSHJLPDZKS-UTKZUKDTSA-N 1 1 356.514 3.030 20 30 FGEDMO COc1ccc(C[N@@H+](CCCO)Cc2ccccn2)cc1OCCCC#N ZINC000289508395 498173441 /nfs/dbraw/zinc/17/34/41/498173441.db2.gz UJRJHSFUUHTVOI-UHFFFAOYSA-N 1 1 369.465 3.157 20 30 FGEDMO Cc1ccc2cc(C[N@@H+]3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)ccc2n1 ZINC000364856615 498176519 /nfs/dbraw/zinc/17/65/19/498176519.db2.gz VNNIHTXNPUABNA-WZONZLPQSA-N 1 1 368.440 3.389 20 30 FGEDMO Cc1ccc2cc(C[N@H+]3C[C@@H](C#N)[C@]4(C3)c3ccccc3NC4=O)ccc2n1 ZINC000364856615 498176525 /nfs/dbraw/zinc/17/65/25/498176525.db2.gz VNNIHTXNPUABNA-WZONZLPQSA-N 1 1 368.440 3.389 20 30 FGEDMO CSc1cccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC000330703177 498177568 /nfs/dbraw/zinc/17/75/68/498177568.db2.gz KRNOUQHEPMUATQ-MRXNPFEDSA-N 1 1 351.516 3.400 20 30 FGEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000330722970 498181355 /nfs/dbraw/zinc/18/13/55/498181355.db2.gz YHCFOKVNPLYEIH-XGZNKIABSA-N 1 1 365.543 3.304 20 30 FGEDMO CC(=O)Nc1ccc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c(Cl)c1 ZINC000330799105 498195467 /nfs/dbraw/zinc/19/54/67/498195467.db2.gz YKVHWMURBGJWEY-NSHDSACASA-N 1 1 350.850 3.275 20 30 FGEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000330870460 498209100 /nfs/dbraw/zinc/20/91/00/498209100.db2.gz BLMQLGJNOVGCQE-HUUCEWRRSA-N 1 1 361.486 3.141 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000289608503 498215414 /nfs/dbraw/zinc/21/54/14/498215414.db2.gz LCXPKOBIQPBUHH-KRWDZBQOSA-N 1 1 355.404 3.316 20 30 FGEDMO C#CCNC(=O)c1ccc(N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)nc1 ZINC000301745975 498250310 /nfs/dbraw/zinc/25/03/10/498250310.db2.gz OZYALUPUTCJZHP-HNNXBMFYSA-N 1 1 359.433 3.112 20 30 FGEDMO CCOc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)cc1Cl ZINC000331106852 498253543 /nfs/dbraw/zinc/25/35/43/498253543.db2.gz ACAKFYSLCJICMQ-DZGCQCFKSA-N 1 1 369.893 3.061 20 30 FGEDMO CC(C)Sc1ccccc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000331157983 498264914 /nfs/dbraw/zinc/26/49/14/498264914.db2.gz DYAFLJWVADJQAW-GJZGRUSLSA-N 1 1 351.516 3.120 20 30 FGEDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569763949 506010384 /nfs/dbraw/zinc/01/03/84/506010384.db2.gz IMIRQPFWNFAPRB-MRXNPFEDSA-N 1 1 372.490 3.171 20 30 FGEDMO C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569763949 506010386 /nfs/dbraw/zinc/01/03/86/506010386.db2.gz IMIRQPFWNFAPRB-MRXNPFEDSA-N 1 1 372.490 3.171 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(F)c1 ZINC000360599814 498289331 /nfs/dbraw/zinc/28/93/31/498289331.db2.gz HGLSLDRBDLXIBC-QGZVFWFLSA-N 1 1 353.445 3.395 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1cn(C)nc1C(F)(F)F ZINC000331280164 498292043 /nfs/dbraw/zinc/29/20/43/498292043.db2.gz HRWUCAKZZMWVPN-LBPRGKRZSA-N 1 1 361.412 3.275 20 30 FGEDMO CSc1cccc(C)c1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000331299719 498296433 /nfs/dbraw/zinc/29/64/33/498296433.db2.gz QGMGBWNIEZKRSL-CQSZACIVSA-N 1 1 351.516 3.039 20 30 FGEDMO COCc1cc(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1F ZINC000331333072 498303170 /nfs/dbraw/zinc/30/31/70/498303170.db2.gz SQCXVRVZAJAMII-KRWDZBQOSA-N 1 1 351.466 3.096 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289819068 498308243 /nfs/dbraw/zinc/30/82/43/498308243.db2.gz OATODUJWUHMOGJ-ZIAGYGMSSA-N 1 1 353.388 3.438 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289819068 498308249 /nfs/dbraw/zinc/30/82/49/498308249.db2.gz OATODUJWUHMOGJ-ZIAGYGMSSA-N 1 1 353.388 3.438 20 30 FGEDMO CS[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000331402046 498319418 /nfs/dbraw/zinc/31/94/18/498319418.db2.gz MLDCCWKHIUZZJA-INIZCTEOSA-N 1 1 360.527 3.468 20 30 FGEDMO CS[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000331402046 498319426 /nfs/dbraw/zinc/31/94/26/498319426.db2.gz MLDCCWKHIUZZJA-INIZCTEOSA-N 1 1 360.527 3.468 20 30 FGEDMO Cn1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000289946463 498364590 /nfs/dbraw/zinc/36/45/90/498364590.db2.gz VXFQJQCYIVFTQU-UYAOXDASSA-N 1 1 350.466 3.348 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@]3(CCC[C@@H]3NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000365234606 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WBJIHZTVUUBRPR-XHDPSFHLSA-N 1 1 361.902 3.116 20 30 FGEDMO CO[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000331994815 498525721 /nfs/dbraw/zinc/52/57/21/498525721.db2.gz VKWCIGNLXWWOKO-IBGZPJMESA-N 1 1 361.511 3.328 20 30 FGEDMO Cc1c([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cnn1C ZINC000362660233 498534795 /nfs/dbraw/zinc/53/47/95/498534795.db2.gz VMZPDLDTKSWHRD-SCLBCKFNSA-N 1 1 371.872 3.418 20 30 FGEDMO Cc1c([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cnn1C ZINC000362660233 498534802 /nfs/dbraw/zinc/53/48/02/498534802.db2.gz VMZPDLDTKSWHRD-SCLBCKFNSA-N 1 1 371.872 3.418 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2)C[C@H](C)O1 ZINC000332096554 498559983 /nfs/dbraw/zinc/55/99/83/498559983.db2.gz CLOSDSMYQRNZRW-FUHIMQAGSA-N 1 1 369.509 3.450 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)cc2)C[C@H](C)O1 ZINC000332096554 498559992 /nfs/dbraw/zinc/55/99/92/498559992.db2.gz CLOSDSMYQRNZRW-FUHIMQAGSA-N 1 1 369.509 3.450 20 30 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FGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)NCc1ccccc1OC ZINC000411189155 499708745 /nfs/dbraw/zinc/70/87/45/499708745.db2.gz FHWFCPWICGTFAE-QGZVFWFLSA-N 1 1 363.461 3.260 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)NCc1ccccc1OC ZINC000411189155 499708746 /nfs/dbraw/zinc/70/87/46/499708746.db2.gz FHWFCPWICGTFAE-QGZVFWFLSA-N 1 1 363.461 3.260 20 30 FGEDMO CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000411204637 499711005 /nfs/dbraw/zinc/71/10/05/499711005.db2.gz XFCZNZUFPDWGEM-INIZCTEOSA-N 1 1 373.497 3.257 20 30 FGEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000411204637 499711006 /nfs/dbraw/zinc/71/10/06/499711006.db2.gz XFCZNZUFPDWGEM-INIZCTEOSA-N 1 1 373.497 3.257 20 30 FGEDMO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000377667794 499717624 /nfs/dbraw/zinc/71/76/24/499717624.db2.gz BCVKDELAGGJHOR-LIRRHRJNSA-N 1 1 355.438 3.373 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C ZINC000411484816 499746315 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3.128 20 30 FGEDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CCC2(C#N)CCCCC2)CC1 ZINC000411734328 499784337 /nfs/dbraw/zinc/78/43/37/499784337.db2.gz HTQFMRPLKFQAGX-QGZVFWFLSA-N 1 1 369.575 3.233 20 30 FGEDMO CN1C(=O)C[C@@H]([NH2+]Cc2cccc(F)c2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000428936378 499962774 /nfs/dbraw/zinc/96/27/74/499962774.db2.gz AJMFJEABDZMGNV-MJGOQNOKSA-N 1 1 357.816 3.412 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000570438042 506167643 /nfs/dbraw/zinc/16/76/43/506167643.db2.gz MJKHEALGMASPOH-OPAMFIHVSA-N 1 1 361.445 3.355 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000570438042 506167645 /nfs/dbraw/zinc/16/76/45/506167645.db2.gz MJKHEALGMASPOH-OPAMFIHVSA-N 1 1 361.445 3.355 20 30 FGEDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582244607 506168178 /nfs/dbraw/zinc/16/81/78/506168178.db2.gz HFAOUBKJQQBATN-ALOPSCKCSA-N 1 1 351.410 3.111 20 30 FGEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@@H](C)C1 ZINC000429042789 499992586 /nfs/dbraw/zinc/99/25/86/499992586.db2.gz RIUSQAPOCLFCFC-HBUWYVDXSA-N 1 1 362.315 3.483 20 30 FGEDMO N#Cc1cc(N(C#N)Cc2ccc(C[NH+]3CCOCC3)cc2)ccc1F ZINC000421213034 499992987 /nfs/dbraw/zinc/99/29/87/499992987.db2.gz LGFOFAVCHGZADJ-UHFFFAOYSA-N 1 1 350.397 3.017 20 30 FGEDMO C=CCC1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCOCC1 ZINC000425017089 499994723 /nfs/dbraw/zinc/99/47/23/499994723.db2.gz YAIRVCTXKRUFKK-VQTJNVASSA-N 1 1 354.494 3.092 20 30 FGEDMO C[N@H+]1CCC[C@]2(CCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000573342405 506175563 /nfs/dbraw/zinc/17/55/63/506175563.db2.gz LLVIAIAQEJOPDE-SFHVURJKSA-N 1 1 352.400 3.354 20 30 FGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000416692976 500088758 /nfs/dbraw/zinc/08/87/58/500088758.db2.gz SIKGHVCOGLEIGC-GQIGUUNPSA-N 1 1 354.498 3.355 20 30 FGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000429583199 500107586 /nfs/dbraw/zinc/10/75/86/500107586.db2.gz ABRCTSJUSDYGTH-PBHICJAKSA-N 1 1 352.400 3.294 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000429704562 500127490 /nfs/dbraw/zinc/12/74/90/500127490.db2.gz ADJHDYSIRYEXLR-UHFFFAOYSA-N 1 1 374.554 3.267 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425521460 500132204 /nfs/dbraw/zinc/13/22/04/500132204.db2.gz ZZLQNXUBAHWVFQ-HNNXBMFYSA-N 1 1 374.554 3.209 20 30 FGEDMO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425526012 500133633 /nfs/dbraw/zinc/13/36/33/500133633.db2.gz VKLXXVVYQKMROA-KXBFYZLASA-N 1 1 371.481 3.329 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425526012 500133638 /nfs/dbraw/zinc/13/36/38/500133638.db2.gz VKLXXVVYQKMROA-KXBFYZLASA-N 1 1 371.481 3.329 20 30 FGEDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000425533104 500135104 /nfs/dbraw/zinc/13/51/04/500135104.db2.gz KHFWCTQDCJRUDY-AWEZNQCLSA-N 1 1 353.422 3.207 20 30 FGEDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000425533104 500135108 /nfs/dbraw/zinc/13/51/08/500135108.db2.gz KHFWCTQDCJRUDY-AWEZNQCLSA-N 1 1 353.422 3.207 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000425534868 500136283 /nfs/dbraw/zinc/13/62/83/500136283.db2.gz MIXAYSNQHODWOX-AWEZNQCLSA-N 1 1 373.403 3.469 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000425534868 500136286 /nfs/dbraw/zinc/13/62/86/500136286.db2.gz MIXAYSNQHODWOX-AWEZNQCLSA-N 1 1 373.403 3.469 20 30 FGEDMO CCOc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425534747 500136540 /nfs/dbraw/zinc/13/65/40/500136540.db2.gz GOLDPQXGNATBLO-APWZRJJASA-N 1 1 354.450 3.390 20 30 FGEDMO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425536660 500137540 /nfs/dbraw/zinc/13/75/40/500137540.db2.gz PDNMQCFGOSEGCL-INIZCTEOSA-N 1 1 351.450 3.218 20 30 FGEDMO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425536660 500137545 /nfs/dbraw/zinc/13/75/45/500137545.db2.gz PDNMQCFGOSEGCL-INIZCTEOSA-N 1 1 351.450 3.218 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc(C#N)s2)C1 ZINC000422215122 500235653 /nfs/dbraw/zinc/23/56/53/500235653.db2.gz HSHZDVYZQOSQEP-HOTGVXAUSA-N 1 1 360.527 3.416 20 30 FGEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000426505828 500281348 /nfs/dbraw/zinc/28/13/48/500281348.db2.gz ZKSALEZXAXPKDM-ZDUSSCGKSA-N 1 1 360.527 3.403 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OC2CCC2)CC1 ZINC000419306085 500351259 /nfs/dbraw/zinc/35/12/59/500351259.db2.gz SHYRIFZGYMREGY-KRWDZBQOSA-N 1 1 355.482 3.355 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000419396287 500360943 /nfs/dbraw/zinc/36/09/43/500360943.db2.gz CKQRZNYZMITRID-OXQOHEQNSA-N 1 1 354.498 3.499 20 30 FGEDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000419444474 500366009 /nfs/dbraw/zinc/36/60/09/500366009.db2.gz XVHLWHBTNRTDKR-KUHUBIRLSA-N 1 1 351.454 3.076 20 30 FGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1(C#N)CCC1 ZINC000419630678 500386390 /nfs/dbraw/zinc/38/63/90/500386390.db2.gz UGZOQZPMHYUBGD-IBGZPJMESA-N 1 1 354.498 3.234 20 30 FGEDMO C=CCC[C@@H]1NC(=O)N(C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000419948416 500409487 /nfs/dbraw/zinc/40/94/87/500409487.db2.gz ZLMOWILJWKQNHL-OALUTQOASA-N 1 1 355.482 3.175 20 30 FGEDMO C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H](CCCC#N)c2ccccc2)C[C@H](C)O1 ZINC000431780792 500423696 /nfs/dbraw/zinc/42/36/96/500423696.db2.gz ZVNWCSSNRRJUPI-NSHGMRRFSA-N 1 1 372.513 3.220 20 30 FGEDMO C=CCCCS(=O)(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000427790103 500433278 /nfs/dbraw/zinc/43/32/78/500433278.db2.gz QJVXLTLAXLMODR-UHFFFAOYSA-N 1 1 361.305 3.219 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333263 500443534 /nfs/dbraw/zinc/44/35/34/500443534.db2.gz FHJOZRIGPDPHDM-LPHOPBHVSA-N 1 1 361.555 3.115 20 30 FGEDMO N#Cc1cncc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)n1 ZINC000420646221 500482129 /nfs/dbraw/zinc/48/21/29/500482129.db2.gz ATHREYUZUDXRFA-UHFFFAOYSA-N 1 1 372.270 3.187 20 30 FGEDMO C=CC[N@H+](Cc1oc(CC)nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000428245759 500486425 /nfs/dbraw/zinc/48/64/25/500486425.db2.gz GJUGZFLGUWIDRD-HNNXBMFYSA-N 1 1 352.442 3.270 20 30 FGEDMO C=C(C)COc1cc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1OC ZINC000432346098 500502508 /nfs/dbraw/zinc/50/25/08/500502508.db2.gz HZCNLXVDAROFRT-SFHVURJKSA-N 1 1 362.514 3.241 20 30 FGEDMO C=C(C)COc1cc(CNCCC[N@H+]2CCCO[C@@H](C)C2)ccc1OC ZINC000432346098 500502511 /nfs/dbraw/zinc/50/25/11/500502511.db2.gz HZCNLXVDAROFRT-SFHVURJKSA-N 1 1 362.514 3.241 20 30 FGEDMO C=C(C)COc1cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)ccc1OC ZINC000432346098 500502514 /nfs/dbraw/zinc/50/25/14/500502514.db2.gz HZCNLXVDAROFRT-SFHVURJKSA-N 1 1 362.514 3.241 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccc(C#N)s1 ZINC000420794656 500503364 /nfs/dbraw/zinc/50/33/64/500503364.db2.gz CWUSPKVYHOIDFW-KXBFYZLASA-N 1 1 368.506 3.330 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]2CCO)cc1OC ZINC000428455835 500511881 /nfs/dbraw/zinc/51/18/81/500511881.db2.gz HBGRDKGVDAITOE-CQSZACIVSA-N 1 1 370.287 3.369 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]2CCO)cc1OC ZINC000428455835 500511884 /nfs/dbraw/zinc/51/18/84/500511884.db2.gz HBGRDKGVDAITOE-CQSZACIVSA-N 1 1 370.287 3.369 20 30 FGEDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000428486557 500516081 /nfs/dbraw/zinc/51/60/81/500516081.db2.gz UMMBSCLINHOVDI-SNVBAGLBSA-N 1 1 372.284 3.345 20 30 FGEDMO C[C@H]1CN(C(=O)NCc2ccc(C#N)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000420864612 500517787 /nfs/dbraw/zinc/51/77/87/500517787.db2.gz UHYLRFDNAARFKM-MRXNPFEDSA-N 1 1 368.506 3.283 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC[N@H+]1C ZINC000428641902 500536464 /nfs/dbraw/zinc/53/64/64/500536464.db2.gz FRSRIZUCPMAKDG-SJLPKXTDSA-N 1 1 365.481 3.018 20 30 FGEDMO N#Cc1nc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)ccc1Cl ZINC000428673092 500541378 /nfs/dbraw/zinc/54/13/78/500541378.db2.gz SLYTXCZVLCGEJR-OAHLLOKOSA-N 1 1 358.898 3.058 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000428771730 500555514 /nfs/dbraw/zinc/55/55/14/500555514.db2.gz ISCGLHLKCWJEDX-GOSISDBHSA-N 1 1 371.362 3.477 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000428771730 500555516 /nfs/dbraw/zinc/55/55/16/500555516.db2.gz ISCGLHLKCWJEDX-GOSISDBHSA-N 1 1 371.362 3.477 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(Br)cc3)C2)nc1 ZINC000428778274 500556339 /nfs/dbraw/zinc/55/63/39/500556339.db2.gz BLRGMHACKJWVCR-INIZCTEOSA-N 1 1 358.239 3.369 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(Br)cc3)C2)nc1 ZINC000428778274 500556342 /nfs/dbraw/zinc/55/63/42/500556342.db2.gz BLRGMHACKJWVCR-INIZCTEOSA-N 1 1 358.239 3.369 20 30 FGEDMO Cc1ccc(OCCC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000428785428 500557033 /nfs/dbraw/zinc/55/70/33/500557033.db2.gz MDTPHIQIORRRBD-HXUWFJFHSA-N 1 1 351.450 3.492 20 30 FGEDMO Cn1ccnc1CC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437137209 500606089 /nfs/dbraw/zinc/60/60/89/500606089.db2.gz NOVWVJKOXNTKOT-UHFFFAOYSA-N 1 1 360.408 3.348 20 30 FGEDMO CCc1ccc([C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000433069137 500618851 /nfs/dbraw/zinc/61/88/51/500618851.db2.gz BXUTULWKJKSKQF-LEWJYISDSA-N 1 1 350.462 3.350 20 30 FGEDMO N#C[C@@H](CCc1ccccc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000433218502 500649856 /nfs/dbraw/zinc/64/98/56/500649856.db2.gz JBFZONRQXKZSBT-JOCHJYFZSA-N 1 1 361.489 3.146 20 30 FGEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)C1=O ZINC000433296652 500664831 /nfs/dbraw/zinc/66/48/31/500664831.db2.gz SVMNQRPJTNQWCF-RDJZCZTQSA-N 1 1 363.299 3.100 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433299606 500665676 /nfs/dbraw/zinc/66/56/76/500665676.db2.gz CBGNYKRKGFNCGM-SFHVURJKSA-N 1 1 353.853 3.317 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433299606 500665680 /nfs/dbraw/zinc/66/56/80/500665680.db2.gz CBGNYKRKGFNCGM-SFHVURJKSA-N 1 1 353.853 3.317 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000437639381 500673918 /nfs/dbraw/zinc/67/39/18/500673918.db2.gz VDPIRLGJUIPDSE-RDGPPVDQSA-N 1 1 351.535 3.025 20 30 FGEDMO CC(C)n1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000570671994 506212431 /nfs/dbraw/zinc/21/24/31/506212431.db2.gz LKZBUEABABOLDE-SFHVURJKSA-N 1 1 350.470 3.071 20 30 FGEDMO C[N@@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000447893334 500686963 /nfs/dbraw/zinc/68/69/63/500686963.db2.gz ZWWIZIAKQYNEJR-FGZHOGPDSA-N 1 1 374.488 3.042 20 30 FGEDMO C[N@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000447893334 500686965 /nfs/dbraw/zinc/68/69/65/500686965.db2.gz ZWWIZIAKQYNEJR-FGZHOGPDSA-N 1 1 374.488 3.042 20 30 FGEDMO C=CCC[C@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1 ZINC000433404381 500687760 /nfs/dbraw/zinc/68/77/60/500687760.db2.gz WTFXVJQMDSWJOM-ICSRJNTNSA-N 1 1 359.514 3.494 20 30 FGEDMO N#Cc1ccc(OCCNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000437773857 500693770 /nfs/dbraw/zinc/69/37/70/500693770.db2.gz MSMVIQOKLURVBZ-LJQANCHMSA-N 1 1 370.497 3.033 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(Br)c1 ZINC000448525886 500767635 /nfs/dbraw/zinc/76/76/35/500767635.db2.gz VQQSHEPVXGVDMT-MRXNPFEDSA-N 1 1 358.239 3.369 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(Br)c1 ZINC000448525886 500767639 /nfs/dbraw/zinc/76/76/39/500767639.db2.gz VQQSHEPVXGVDMT-MRXNPFEDSA-N 1 1 358.239 3.369 20 30 FGEDMO CC(=O)N1CC[NH+](Cc2ccc(NCc3ccc(C#N)c(C)c3)cc2)CC1 ZINC000443999861 500789940 /nfs/dbraw/zinc/78/99/40/500789940.db2.gz FECCDFIZIZTZQJ-UHFFFAOYSA-N 1 1 362.477 3.143 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000434098569 500795202 /nfs/dbraw/zinc/79/52/02/500795202.db2.gz DGUJSRRXZMMUPP-AWEZNQCLSA-N 1 1 366.446 3.092 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(C#N)c1Br ZINC000448779747 500831667 /nfs/dbraw/zinc/83/16/67/500831667.db2.gz GVAURKUHQFVURN-QWHCGFSZSA-N 1 1 364.287 3.171 20 30 FGEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C#N)c2Br)C1 ZINC000448824837 500845183 /nfs/dbraw/zinc/84/51/83/500845183.db2.gz TXVFULXMGHTIBS-ZDUSSCGKSA-N 1 1 364.287 3.171 20 30 FGEDMO N#CC(CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC000444684743 500878745 /nfs/dbraw/zinc/87/87/45/500878745.db2.gz LRRFPJHHUSIVCP-OAQYLSRUSA-N 1 1 359.473 3.193 20 30 FGEDMO N#CC(CC[N@H+]1CCN2C(=O)CC[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC000444684743 500878748 /nfs/dbraw/zinc/87/87/48/500878748.db2.gz LRRFPJHHUSIVCP-OAQYLSRUSA-N 1 1 359.473 3.193 20 30 FGEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1 ZINC000444820277 500906769 /nfs/dbraw/zinc/90/67/69/500906769.db2.gz WNRSWVMHJNGBAN-LJQANCHMSA-N 1 1 354.450 3.087 20 30 FGEDMO C=CC[C@H]1N(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000444887132 500917627 /nfs/dbraw/zinc/91/76/27/500917627.db2.gz RNZLLWISAPHVOW-RTBURBONSA-N 1 1 364.578 3.035 20 30 FGEDMO C=CC[C@H]1N(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CCCC1(C)C ZINC000445151761 500949458 /nfs/dbraw/zinc/94/94/58/500949458.db2.gz UFVPTQDYEXHDMI-RTBURBONSA-N 1 1 364.578 3.036 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000439915634 500955025 /nfs/dbraw/zinc/95/50/25/500955025.db2.gz PEDGUDPQSFIWGD-LEWJYISDSA-N 1 1 352.478 3.341 20 30 FGEDMO CC(=O)N1CC[NH+](Cc2ccccc2NC2CCC(C)(C#N)CC2)CC1 ZINC000449266423 500962063 /nfs/dbraw/zinc/96/20/63/500962063.db2.gz VDPSLURVWRPZCS-UHFFFAOYSA-N 1 1 354.498 3.235 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3cncn3Cc3ccccc3)CC2)cc1 ZINC000445799376 501033364 /nfs/dbraw/zinc/03/33/64/501033364.db2.gz NWSZLRXVQSGRLB-UHFFFAOYSA-N 1 1 371.488 3.121 20 30 FGEDMO N#Cc1cnc2c(Br)cccc2c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000440673509 501037913 /nfs/dbraw/zinc/03/79/13/501037913.db2.gz RKPZMLIXBZCBEZ-LBPRGKRZSA-N 1 1 368.238 3.492 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1OC ZINC000449673764 501058278 /nfs/dbraw/zinc/05/82/78/501058278.db2.gz QFFWGXCVRJWWCO-RHSMWYFYSA-N 1 1 359.388 3.395 20 30 FGEDMO Cc1oc(C#N)cc1C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000436084819 501068087 /nfs/dbraw/zinc/06/80/87/501068087.db2.gz SNRPAYYRIPTURS-FQEVSTJZSA-N 1 1 351.450 3.272 20 30 FGEDMO N#Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)cc1F ZINC000449738110 501072319 /nfs/dbraw/zinc/07/23/19/501072319.db2.gz YNODTKWFSQPCKT-UHFFFAOYSA-N 1 1 359.832 3.477 20 30 FGEDMO CCN1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000449746719 501073432 /nfs/dbraw/zinc/07/34/32/501073432.db2.gz SYHDJLNWQBZVFP-UHFFFAOYSA-N 1 1 368.447 3.083 20 30 FGEDMO COc1cc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)ccc1C#N ZINC000449785470 501087048 /nfs/dbraw/zinc/08/70/48/501087048.db2.gz GUJNTRFTLDRNLB-UHFFFAOYSA-N 1 1 355.404 3.415 20 30 FGEDMO C[N@H+]1CCCC12CCN(C(=O)c1cccc(C#N)c1Br)CC2 ZINC000450379165 501106111 /nfs/dbraw/zinc/10/61/11/501106111.db2.gz NJEKGZMXXQVRSO-UHFFFAOYSA-N 1 1 362.271 3.021 20 30 FGEDMO C=CCOc1ccc(CC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000449924661 501127212 /nfs/dbraw/zinc/12/72/12/501127212.db2.gz IPWIIWOCQIKPAJ-UHFFFAOYSA-N 1 1 365.477 3.283 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000441462562 501143783 /nfs/dbraw/zinc/14/37/83/501143783.db2.gz IUWSLJOSIDVCOU-PKOBYXMFSA-N 1 1 372.513 3.216 20 30 FGEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(C#N)c1Br ZINC000450052457 501165612 /nfs/dbraw/zinc/16/56/12/501165612.db2.gz LNEISICSVFIFOI-KBPBESRZSA-N 1 1 362.271 3.020 20 30 FGEDMO C=CCC[C@H]([NH2+]Cc1nc(-c2cc(OC)ncn2)no1)c1ccccc1 ZINC000450685857 501185914 /nfs/dbraw/zinc/18/59/14/501185914.db2.gz XRWBBJRNWUSDKD-HNNXBMFYSA-N 1 1 351.410 3.332 20 30 FGEDMO N#CC1(CN2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)CCC1 ZINC000450218807 501212624 /nfs/dbraw/zinc/21/26/24/501212624.db2.gz UWCUDKKGFSWYBC-UHFFFAOYSA-N 1 1 371.510 3.042 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450271440 501223095 /nfs/dbraw/zinc/22/30/95/501223095.db2.gz YGYWFNKDEQFCHC-SFHVURJKSA-N 1 1 374.448 3.091 20 30 FGEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000451253347 501255122 /nfs/dbraw/zinc/25/51/22/501255122.db2.gz JNQNABZNDHAHQI-QFBILLFUSA-N 1 1 372.513 3.123 20 30 FGEDMO CC[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1COC1 ZINC000451284274 501257384 /nfs/dbraw/zinc/25/73/84/501257384.db2.gz IKPYEQYFXZDGCR-UHFFFAOYSA-N 1 1 352.434 3.367 20 30 FGEDMO CC[N@@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1COC1 ZINC000451284274 501257385 /nfs/dbraw/zinc/25/73/85/501257385.db2.gz IKPYEQYFXZDGCR-UHFFFAOYSA-N 1 1 352.434 3.367 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000457604028 501267029 /nfs/dbraw/zinc/26/70/29/501267029.db2.gz XKNMXNKERYTWIX-KRWDZBQOSA-N 1 1 367.415 3.181 20 30 FGEDMO COc1c(C)c[nH+]c(CN(C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1C ZINC000451379949 501279513 /nfs/dbraw/zinc/27/95/13/501279513.db2.gz WMHBDOHCOHUUMO-HNNXBMFYSA-N 1 1 352.438 3.038 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451414302 501287250 /nfs/dbraw/zinc/28/72/50/501287250.db2.gz HYHSUFUBWWGYCV-XWPNQZOQSA-N 1 1 373.472 3.086 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000455401286 501292412 /nfs/dbraw/zinc/29/24/12/501292412.db2.gz GSJKCZNJHGOWRZ-CGXNFDGLSA-N 1 1 369.509 3.026 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@H](O)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000451461741 501297753 /nfs/dbraw/zinc/29/77/53/501297753.db2.gz STLUYFJSIZSHSC-JXFKEZNVSA-N 1 1 366.461 3.491 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1csc(CC(=O)Nc2ccc(C)cc2)n1 ZINC000451606786 501335402 /nfs/dbraw/zinc/33/54/02/501335402.db2.gz NVGWEQKJIDUZRR-SJORKVTESA-N 1 1 357.479 3.066 20 30 FGEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453456867 501337400 /nfs/dbraw/zinc/33/74/00/501337400.db2.gz WSKUMQRXHMNJSL-NTZUZEMLSA-N 1 1 373.545 3.118 20 30 FGEDMO NC(=O)CC[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCOc2ccccc21 ZINC000451707299 501357046 /nfs/dbraw/zinc/35/70/46/501357046.db2.gz HUFOJFVMFPXSAR-IBGZPJMESA-N 1 1 368.864 3.393 20 30 FGEDMO CC[C@H]1C[N@@H+](CC)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000451726366 501360416 /nfs/dbraw/zinc/36/04/16/501360416.db2.gz SNGGRCHIUUNEDN-KRWDZBQOSA-N 1 1 352.482 3.154 20 30 FGEDMO C[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[N@H+]1CCc2ccccc2C1 ZINC000455789817 501386321 /nfs/dbraw/zinc/38/63/21/501386321.db2.gz PHIDHHAWUNLKCE-CYBMUJFWSA-N 1 1 369.856 3.175 20 30 FGEDMO N#Cc1ncc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000455791150 501386893 /nfs/dbraw/zinc/38/68/93/501386893.db2.gz QMFFTEDEGAIJJI-HNNXBMFYSA-N 1 1 369.856 3.393 20 30 FGEDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000452021157 501420231 /nfs/dbraw/zinc/42/02/31/501420231.db2.gz SMMCHWUQQFHWSF-FQEVSTJZSA-N 1 1 362.477 3.461 20 30 FGEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000456061777 501446529 /nfs/dbraw/zinc/44/65/29/501446529.db2.gz KOGBGYYJFYTTKH-SQGPQFPESA-N 1 1 353.510 3.316 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc(C#N)[nH]c3C)C2)s1 ZINC000582490794 506253572 /nfs/dbraw/zinc/25/35/72/506253572.db2.gz NFYDXNJTCKRIES-OAHLLOKOSA-N 1 1 356.495 3.159 20 30 FGEDMO C[C@@H]1C[C@H](CCNC(=O)N(C)CC(C)(C)C#N)C[N@H+]1Cc1ccccc1 ZINC000458588026 501481753 /nfs/dbraw/zinc/48/17/53/501481753.db2.gz KSDXUVHVXWDYDO-MJGOQNOKSA-N 1 1 356.514 3.478 20 30 FGEDMO C=CCCC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456354184 501507254 /nfs/dbraw/zinc/50/72/54/501507254.db2.gz ABSCFJBGJZNZHR-CYBMUJFWSA-N 1 1 366.303 3.494 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459033218 501580233 /nfs/dbraw/zinc/58/02/33/501580233.db2.gz ANSLQZXEZXVPJX-ZCNNSNEGSA-N 1 1 357.498 3.026 20 30 FGEDMO COc1cccc([C@@H](C)[NH+]2CCN(c3nc4ncccc4cc3C#N)CC2)c1 ZINC000596108191 506263668 /nfs/dbraw/zinc/26/36/68/506263668.db2.gz QOXUAWJRIZWSRA-MRXNPFEDSA-N 1 1 373.460 3.393 20 30 FGEDMO CCN(C[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000459347711 501636788 /nfs/dbraw/zinc/63/67/88/501636788.db2.gz CUJQEGARMLEDIL-ZDUSSCGKSA-N 1 1 370.375 3.173 20 30 FGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000459347711 501636792 /nfs/dbraw/zinc/63/67/92/501636792.db2.gz CUJQEGARMLEDIL-ZDUSSCGKSA-N 1 1 370.375 3.173 20 30 FGEDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000457083840 501647425 /nfs/dbraw/zinc/64/74/25/501647425.db2.gz XWBPPIBVEQBSIV-UHFFFAOYSA-N 1 1 367.449 3.334 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000459474510 501659770 /nfs/dbraw/zinc/65/97/70/501659770.db2.gz XZDIACDXKOFSTD-YZGWKJHDSA-N 1 1 363.417 3.471 20 30 FGEDMO Cc1nsc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1C#N ZINC000459550583 501675226 /nfs/dbraw/zinc/67/52/26/501675226.db2.gz JNINBFACXFDVFK-AWEZNQCLSA-N 1 1 363.874 3.401 20 30 FGEDMO Cc1nsc(NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1C#N ZINC000459552790 501675658 /nfs/dbraw/zinc/67/56/58/501675658.db2.gz CDDGXSBDSJFVMT-UHFFFAOYSA-N 1 1 369.494 3.452 20 30 FGEDMO Cc1nsc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1C#N ZINC000459552790 501675659 /nfs/dbraw/zinc/67/56/59/501675659.db2.gz CDDGXSBDSJFVMT-UHFFFAOYSA-N 1 1 369.494 3.452 20 30 FGEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N(CC#N)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000460071501 501725894 /nfs/dbraw/zinc/72/58/94/501725894.db2.gz XBFUZMPTYHPKJS-HUUCEWRRSA-N 1 1 353.388 3.452 20 30 FGEDMO C=CCSCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460142700 501738946 /nfs/dbraw/zinc/73/89/46/501738946.db2.gz JFKPCGWTZRZJKT-RBUKOAKNSA-N 1 1 359.539 3.069 20 30 FGEDMO C=CCSCCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000460142698 501739021 /nfs/dbraw/zinc/73/90/21/501739021.db2.gz JFKPCGWTZRZJKT-MOPGFXCFSA-N 1 1 359.539 3.069 20 30 FGEDMO N#Cc1ccc(OCc2cccc(C(=O)NCC[N@@H+]3CC=CCC3)c2)cc1 ZINC000477628343 501742857 /nfs/dbraw/zinc/74/28/57/501742857.db2.gz OCQUNQJJKJFOFX-UHFFFAOYSA-N 1 1 361.445 3.129 20 30 FGEDMO C=CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000467283777 501758820 /nfs/dbraw/zinc/75/88/20/501758820.db2.gz LPPPQJKQPRCHFX-UHFFFAOYSA-N 1 1 361.467 3.274 20 30 FGEDMO C=CCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000467283777 501758822 /nfs/dbraw/zinc/75/88/22/501758822.db2.gz LPPPQJKQPRCHFX-UHFFFAOYSA-N 1 1 361.467 3.274 20 30 FGEDMO C[C@H]1[C@H](NC(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000588339609 506272846 /nfs/dbraw/zinc/27/28/46/506272846.db2.gz HUIFBGUMUXNUSC-MGPUTAFESA-N 1 1 366.440 3.160 20 30 FGEDMO C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460370266 501806693 /nfs/dbraw/zinc/80/66/93/501806693.db2.gz LVCPOYMGNSZQNO-UHFFFAOYSA-N 1 1 369.513 3.008 20 30 FGEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460391080 501812445 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20 30 FGEDMO C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000460564489 501863699 /nfs/dbraw/zinc/86/36/99/501863699.db2.gz XGCYAZXCVUFUAG-UHFFFAOYSA-N 1 1 351.498 3.444 20 30 FGEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000460589254 501869443 /nfs/dbraw/zinc/86/94/43/501869443.db2.gz ZPHUQHZBGZTNMH-DLBZAZTESA-N 1 1 354.502 3.144 20 30 FGEDMO Cc1ccc([C@@H]2CC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c(C)c1 ZINC000470994437 501886326 /nfs/dbraw/zinc/88/63/26/501886326.db2.gz MONJYUPHRDUWAX-LJQANCHMSA-N 1 1 368.502 3.438 20 30 FGEDMO Cc1ccc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c(C)c1 ZINC000470994437 501886330 /nfs/dbraw/zinc/88/63/30/501886330.db2.gz MONJYUPHRDUWAX-LJQANCHMSA-N 1 1 368.502 3.438 20 30 FGEDMO Cc1nc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000481798030 501887595 /nfs/dbraw/zinc/88/75/95/501887595.db2.gz DGVIUIWKGVUNCK-MRXNPFEDSA-N 1 1 362.477 3.424 20 30 FGEDMO C=C[C@@](C)(CCOC)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000467844218 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362.477 3.441 20 30 FGEDMO Cc1nc(-c2ccccc2)oc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000602757953 506287081 /nfs/dbraw/zinc/28/70/81/506287081.db2.gz CRCZCNFONKMRJN-UHFFFAOYSA-N 1 1 359.433 3.239 20 30 FGEDMO C=CC[N@@H+](C[C@@H](O)C1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475045406 502034424 /nfs/dbraw/zinc/03/44/24/502034424.db2.gz FDEFLDILKWBGOU-OXJNMPFZSA-N 1 1 355.486 3.153 20 30 FGEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000464724337 502073660 /nfs/dbraw/zinc/07/36/60/502073660.db2.gz GYULSUFZOQQCHH-FOIQADDNSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000464724337 502073667 /nfs/dbraw/zinc/07/36/67/502073667.db2.gz GYULSUFZOQQCHH-FOIQADDNSA-N 1 1 351.425 3.397 20 30 FGEDMO C=CCc1ccc(OCC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c(OC)c1 ZINC000468489807 502078416 /nfs/dbraw/zinc/07/84/16/502078416.db2.gz YUZSIASBQGZHSF-LJQANCHMSA-N 1 1 360.498 3.039 20 30 FGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 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KSVUTQXIZDNOFZ-RTWAWAEBSA-N 1 1 371.525 3.012 20 30 FGEDMO C=CC[N@H+](CCOc1ccc(F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596213359 506314878 /nfs/dbraw/zinc/31/48/78/506314878.db2.gz DEILDOXIYHDTSH-MRXNPFEDSA-N 1 1 367.428 3.429 20 30 FGEDMO CC[N@@H+]1CC[C@H](Nc2ccc(C#N)c(C)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000488112685 502630469 /nfs/dbraw/zinc/63/04/69/502630469.db2.gz QEZOPJUZGUVJCV-LPHOPBHVSA-N 1 1 360.383 3.348 20 30 FGEDMO CC[N@H+]1CC[C@H](Nc2ccc(C#N)c(C)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000488112685 502630476 /nfs/dbraw/zinc/63/04/76/502630476.db2.gz QEZOPJUZGUVJCV-LPHOPBHVSA-N 1 1 360.383 3.348 20 30 FGEDMO CCC1CCC([N@@H+](CCO)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000488163739 502644431 /nfs/dbraw/zinc/64/44/31/502644431.db2.gz FSLIVTWMHDDRBL-UHFFFAOYSA-N 1 1 354.454 3.371 20 30 FGEDMO OCC[N@H+](CC#Cc1ccc(F)cc1)Cc1cccc(Br)c1 ZINC000488174432 502647830 /nfs/dbraw/zinc/64/78/30/502647830.db2.gz HUQIJDWCLBEJLN-UHFFFAOYSA-N 1 1 362.242 3.434 20 30 FGEDMO 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356.495 3.451 20 30 FGEDMO C[C@@H](C#N)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000611091237 507513045 /nfs/dbraw/zinc/51/30/45/507513045.db2.gz HCDLPIKSRXABAZ-ZDUSSCGKSA-N 1 1 356.495 3.451 20 30 FGEDMO Cc1cc(Br)c2c(c1)C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598610326 507517524 /nfs/dbraw/zinc/51/75/24/507517524.db2.gz ZKEXYIVJQMPGLN-CQSZACIVSA-N 1 1 351.288 3.416 20 30 FGEDMO Cc1cc(Br)c2c(c1)C[N@H+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598610326 507517529 /nfs/dbraw/zinc/51/75/29/507517529.db2.gz ZKEXYIVJQMPGLN-CQSZACIVSA-N 1 1 351.288 3.416 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)o2)c1 ZINC000584820739 507522070 /nfs/dbraw/zinc/52/20/70/507522070.db2.gz YLDOHRGQECGMGI-MSOLQXFVSA-N 1 1 364.449 3.389 20 30 FGEDMO CCCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[N@@H+](C)C1 ZINC000592226356 507544846 /nfs/dbraw/zinc/54/48/46/507544846.db2.gz KPFOYQKKNFUOJA-CYBMUJFWSA-N 1 1 352.385 3.108 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000595580026 507572003 /nfs/dbraw/zinc/57/20/03/507572003.db2.gz XMUJCQWBXPWACU-FHLIZLRMSA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000595580026 507572009 /nfs/dbraw/zinc/57/20/09/507572009.db2.gz XMUJCQWBXPWACU-FHLIZLRMSA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)[C@@H](CO)Cc1ccccc1 ZINC000595591845 507579825 /nfs/dbraw/zinc/57/98/25/507579825.db2.gz LYEIUCZJZQCJIN-GOSISDBHSA-N 1 1 359.267 3.356 20 30 FGEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@H](C#N)c1ccccc1Br ZINC000602097793 507591201 /nfs/dbraw/zinc/59/12/01/507591201.db2.gz RKGKSRBAQSHTPV-CQSZACIVSA-N 1 1 361.243 3.150 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000585717561 507603036 /nfs/dbraw/zinc/60/30/36/507603036.db2.gz KZKXBUDWKWGMPJ-FUHIMQAGSA-N 1 1 360.933 3.395 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC2(CCOCC2)CC1 ZINC000585755817 507617642 /nfs/dbraw/zinc/61/76/42/507617642.db2.gz HIPWUBSMRLYBIK-CQSZACIVSA-N 1 1 373.522 3.328 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](c4ccccc4)[C@H](CO)C3)o2)c1 ZINC000595746551 507661192 /nfs/dbraw/zinc/66/11/92/507661192.db2.gz BZWUAQACAMMCFR-VQTJNVASSA-N 1 1 374.444 3.206 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595750481 507664510 /nfs/dbraw/zinc/66/45/10/507664510.db2.gz NDHMHVLRDDAJFE-YWZLYKJASA-N 1 1 373.522 3.114 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595750481 507664515 /nfs/dbraw/zinc/66/45/15/507664515.db2.gz NDHMHVLRDDAJFE-YWZLYKJASA-N 1 1 373.522 3.114 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595750876 507665292 /nfs/dbraw/zinc/66/52/92/507665292.db2.gz PGVVGQPNHHTIQA-YWZLYKJASA-N 1 1 373.522 3.256 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595750876 507665297 /nfs/dbraw/zinc/66/52/97/507665297.db2.gz PGVVGQPNHHTIQA-YWZLYKJASA-N 1 1 373.522 3.256 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595757526 507670815 /nfs/dbraw/zinc/67/08/15/507670815.db2.gz KCWJTUYJDYSMRB-LAPQFRIASA-N 1 1 373.522 3.184 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595757526 507670819 /nfs/dbraw/zinc/67/08/19/507670819.db2.gz KCWJTUYJDYSMRB-LAPQFRIASA-N 1 1 373.522 3.184 20 30 FGEDMO Cc1c[nH+]cn1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000602328746 507671850 /nfs/dbraw/zinc/67/18/50/507671850.db2.gz UJMQIKGWOFELGS-UHFFFAOYSA-N 1 1 362.437 3.185 20 30 FGEDMO C[C@]1(C#N)CCCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000586806715 507679356 /nfs/dbraw/zinc/67/93/56/507679356.db2.gz GRMMYIXMCDBXOB-IEBWSBKVSA-N 1 1 361.436 3.296 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]([C@H]4CCCCO4)C3)C2=O)cc1 ZINC000595790167 507686794 /nfs/dbraw/zinc/68/67/94/507686794.db2.gz ULJOANILOBLCHA-SESVDKBCSA-N 1 1 367.493 3.335 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1OCc1ccccc1 ZINC000592523386 507692948 /nfs/dbraw/zinc/69/29/48/507692948.db2.gz LOLRKMYQRLVPHD-NRFANRHFSA-N 1 1 352.434 3.125 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1OCc1ccccc1 ZINC000592523386 507692953 /nfs/dbraw/zinc/69/29/53/507692953.db2.gz LOLRKMYQRLVPHD-NRFANRHFSA-N 1 1 352.434 3.125 20 30 FGEDMO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000595805931 507695512 /nfs/dbraw/zinc/69/55/12/507695512.db2.gz VTUHYAURLKIJBA-QFIPXVFZSA-N 1 1 364.445 3.379 20 30 FGEDMO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000595805931 507695517 /nfs/dbraw/zinc/69/55/17/507695517.db2.gz VTUHYAURLKIJBA-QFIPXVFZSA-N 1 1 364.445 3.379 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H]4COC[C@@H]4C3)sc2C1 ZINC000595836596 507708370 /nfs/dbraw/zinc/70/83/70/507708370.db2.gz WYCLQRNNAIOYBW-ILXRZTDVSA-N 1 1 373.522 3.041 20 30 FGEDMO Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1-n1cnnn1 ZINC000330334766 568254635 /nfs/dbraw/zinc/25/46/35/568254635.db2.gz QYUDRWJQEASOAJ-QGZVFWFLSA-N 1 1 354.458 3.356 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257487 601317423 /nfs/dbraw/zinc/31/74/23/601317423.db2.gz DGJOBAIOXJNXEG-KPFFTGBYSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257487 601317426 /nfs/dbraw/zinc/31/74/26/601317426.db2.gz DGJOBAIOXJNXEG-KPFFTGBYSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257487 601317429 /nfs/dbraw/zinc/31/74/29/601317429.db2.gz DGJOBAIOXJNXEG-KPFFTGBYSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257487 601317432 /nfs/dbraw/zinc/31/74/32/601317432.db2.gz DGJOBAIOXJNXEG-KPFFTGBYSA-N 1 1 355.482 3.270 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000822801694 607070769 /nfs/dbraw/zinc/07/07/69/607070769.db2.gz MOISLSCYCAGOGH-RTBURBONSA-N 1 1 362.412 3.278 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000822801694 607070771 /nfs/dbraw/zinc/07/07/71/607070771.db2.gz MOISLSCYCAGOGH-RTBURBONSA-N 1 1 362.412 3.278 20 30 FGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826385141 608462600 /nfs/dbraw/zinc/46/26/00/608462600.db2.gz ZBEIWVYDEFARLE-UHFFFAOYSA-N 1 1 360.396 3.167 20 30 FGEDMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000826182927 608465872 /nfs/dbraw/zinc/46/58/72/608465872.db2.gz YLSMFRRYYDPRLI-UHFFFAOYSA-N 1 1 372.432 3.036 20 30 FGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000826384933 608466783 /nfs/dbraw/zinc/46/67/83/608466783.db2.gz POERUKINMCBYTC-UHFFFAOYSA-N 1 1 360.396 3.167 20 30 FGEDMO C=C(Br)CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074867314 700201130 /nfs/dbraw/zinc/20/11/30/700201130.db2.gz OKQQJAYTLSTARX-INIZCTEOSA-N 1 1 366.303 3.201 20 30 FGEDMO C#CCOc1ccc(C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1 ZINC000093512707 700451865 /nfs/dbraw/zinc/45/18/65/700451865.db2.gz HWSWIOMKTPNKDJ-UHFFFAOYSA-N 1 1 355.869 3.065 20 30 FGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000114188065 700576212 /nfs/dbraw/zinc/57/62/12/700576212.db2.gz MMDNAHBYGIINSL-HZPDHXFCSA-N 1 1 361.511 3.062 20 30 FGEDMO CC#CC[C@H](CO)[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000641768488 717928314 /nfs/dbraw/zinc/92/83/14/717928314.db2.gz AMHRKKCIMFVDCY-CQSZACIVSA-N 1 1 350.871 3.239 20 30 FGEDMO COc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(Br)c1 ZINC000328783567 713825816 /nfs/dbraw/zinc/82/58/16/713825816.db2.gz GLWNRXREHCHGDW-HUUCEWRRSA-N 1 1 368.275 3.220 20 30 FGEDMO CO[C@H]1C[C@@H](C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)[N@H+](C)C1 ZINC000328998636 713827079 /nfs/dbraw/zinc/82/70/79/713827079.db2.gz VCXSPMMKHILVED-ZFWWWQNUSA-N 1 1 360.483 3.204 20 30 FGEDMO CO[C@H]1C[C@@H](C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)[N@@H+](C)C1 ZINC000328998636 713827082 /nfs/dbraw/zinc/82/70/82/713827082.db2.gz VCXSPMMKHILVED-ZFWWWQNUSA-N 1 1 360.483 3.204 20 30 FGEDMO C[C@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000329190974 713828077 /nfs/dbraw/zinc/82/80/77/713828077.db2.gz SCNPIOYTUGXELO-BFYDXBDKSA-N 1 1 367.559 3.155 20 30 FGEDMO C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000373999863 713891981 /nfs/dbraw/zinc/89/19/81/713891981.db2.gz UPTFHGSOUQTWBL-UKPHBRMFSA-N 1 1 350.532 3.316 20 30 FGEDMO N#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc1Cl ZINC000375087618 713966241 /nfs/dbraw/zinc/96/62/41/713966241.db2.gz AIXMOISYCAALRE-CYBMUJFWSA-N 1 1 374.897 3.310 20 30 FGEDMO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000522977038 714214826 /nfs/dbraw/zinc/21/48/26/714214826.db2.gz SWZAWIIRHOENKP-INWMFGNUSA-N 1 1 353.388 3.364 20 30 FGEDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000617196480 714635979 /nfs/dbraw/zinc/63/59/79/714635979.db2.gz ZIJUYXLVWBMCBW-CQSZACIVSA-N 1 1 351.244 3.238 20 30 FGEDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000617196480 714635981 /nfs/dbraw/zinc/63/59/81/714635981.db2.gz ZIJUYXLVWBMCBW-CQSZACIVSA-N 1 1 351.244 3.238 20 30 FGEDMO CCn1cc([C@H]2CSCC[N@@H+]2CCCOc2cccc(C#N)c2)cn1 ZINC000618901233 714786348 /nfs/dbraw/zinc/78/63/48/714786348.db2.gz QLJFTLMPPPWAAE-LJQANCHMSA-N 1 1 356.495 3.334 20 30 FGEDMO CCn1cc([C@H]2CSCC[N@H+]2CCCOc2cccc(C#N)c2)cn1 ZINC000618901233 714786353 /nfs/dbraw/zinc/78/63/53/714786353.db2.gz QLJFTLMPPPWAAE-LJQANCHMSA-N 1 1 356.495 3.334 20 30 FGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)C1 ZINC000625703212 715775781 /nfs/dbraw/zinc/77/57/81/715775781.db2.gz RIRSXVMBLYLRCP-MRXNPFEDSA-N 1 1 362.543 3.212 20 30 FGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)C1 ZINC000625703212 715775786 /nfs/dbraw/zinc/77/57/86/715775786.db2.gz RIRSXVMBLYLRCP-MRXNPFEDSA-N 1 1 362.543 3.212 20 30 FGEDMO C=CCOc1c(Cl)cc(C[NH+]2CCC(NC(C)=O)CC2)cc1OC ZINC000628158377 716117995 /nfs/dbraw/zinc/11/79/95/716117995.db2.gz MKWMXEUWBHELFG-UHFFFAOYSA-N 1 1 352.862 3.014 20 30 FGEDMO C=CCCC(=O)COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803908220 724481950 /nfs/dbraw/zinc/48/19/50/724481950.db2.gz WUSVJXZVXZNOBA-QGZVFWFLSA-N 1 1 351.393 3.222 20 30 FGEDMO C=CCCC(=O)COC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000803908220 724481951 /nfs/dbraw/zinc/48/19/51/724481951.db2.gz WUSVJXZVXZNOBA-QGZVFWFLSA-N 1 1 351.393 3.222 20 30 FGEDMO CN1CC[NH+](Cc2ccc(CNc3nc(Cl)c(C#N)s3)cc2)CC1 ZINC000804355365 724506681 /nfs/dbraw/zinc/50/66/81/724506681.db2.gz YRJDVDGMKFJYQQ-UHFFFAOYSA-N 1 1 361.902 3.028 20 30 FGEDMO N#Cc1c(Cl)ncnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626779 719064880 /nfs/dbraw/zinc/06/48/80/719064880.db2.gz PHGLVNQLQVGZOS-WBVHZDCISA-N 1 1 353.857 3.102 20 30 FGEDMO N#Cc1cc2c(nc1N1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCOC2 ZINC001164629963 719106215 /nfs/dbraw/zinc/10/62/15/719106215.db2.gz UVSNFFUDOAJLPX-PGRDOPGGSA-N 1 1 374.488 3.127 20 30 FGEDMO C#CC[N@@H+](CC)Cc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000781900591 724609327 /nfs/dbraw/zinc/60/93/27/724609327.db2.gz KAHHBBLZSWNCDG-UHFFFAOYSA-N 1 1 368.271 3.155 20 30 FGEDMO C#CC[N@H+](CC)Cc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000781900591 724609334 /nfs/dbraw/zinc/60/93/34/724609334.db2.gz KAHHBBLZSWNCDG-UHFFFAOYSA-N 1 1 368.271 3.155 20 30 FGEDMO C=CCN(CC(F)(F)F)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659267714 719886418 /nfs/dbraw/zinc/88/64/18/719886418.db2.gz OKWSBUKXWBYWCS-UHFFFAOYSA-N 1 1 369.206 3.304 20 30 FGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000661379226 720237762 /nfs/dbraw/zinc/23/77/62/720237762.db2.gz VWHMNRMNTNEVMU-ZDUSSCGKSA-N 1 1 351.376 3.469 20 30 FGEDMO C=CC[C@H]1CCC[N@H+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)C1 ZINC000661379226 720237767 /nfs/dbraw/zinc/23/77/67/720237767.db2.gz VWHMNRMNTNEVMU-ZDUSSCGKSA-N 1 1 351.376 3.469 20 30 FGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000661380563 720237841 /nfs/dbraw/zinc/23/78/41/720237841.db2.gz ODOKCFWHODKKKW-CQSZACIVSA-N 1 1 359.861 3.147 20 30 FGEDMO C=CCCNC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000661572734 720277590 /nfs/dbraw/zinc/27/75/90/720277590.db2.gz YNLYKKPTVMQZKH-UHFFFAOYSA-N 1 1 355.404 3.499 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCCc1ccc(OC(F)F)cc1 ZINC000662081665 720372816 /nfs/dbraw/zinc/37/28/16/720372816.db2.gz QKWDUCIUHSUHCI-IYBDPMFKSA-N 1 1 350.409 3.130 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000662085866 720373815 /nfs/dbraw/zinc/37/38/15/720373815.db2.gz LEAPOQPVSTWBCW-IYBDPMFKSA-N 1 1 356.495 3.204 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1 ZINC000662085866 720373818 /nfs/dbraw/zinc/37/38/18/720373818.db2.gz LEAPOQPVSTWBCW-IYBDPMFKSA-N 1 1 356.495 3.204 20 30 FGEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1nc(-c2ccc([C@H](C)CC)cc2)cs1 ZINC000662165597 720386375 /nfs/dbraw/zinc/38/63/75/720386375.db2.gz KDLUVVZULHMKHJ-CZUORRHYSA-N 1 1 359.495 3.399 20 30 FGEDMO C=CC[C@@]1(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CCC[NH2+]1 ZINC000662664194 720451131 /nfs/dbraw/zinc/45/11/31/720451131.db2.gz UFIWHEWAYQJSAJ-XLIONFOSSA-N 1 1 361.555 3.336 20 30 FGEDMO C=CCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H](C)COC ZINC000663455362 720517026 /nfs/dbraw/zinc/51/70/26/720517026.db2.gz JSKBHIQTORXGPE-RHSMWYFYSA-N 1 1 353.894 3.175 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C#N)cn1)CC2 ZINC001164841794 720654366 /nfs/dbraw/zinc/65/43/66/720654366.db2.gz QCIRZUYJRKKFLG-FQEVSTJZSA-N 1 1 362.477 3.213 20 30 FGEDMO N#Cc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164900002 721515708 /nfs/dbraw/zinc/51/57/08/721515708.db2.gz MZZYHFPPJUYQHN-GDBMZVCRSA-N 1 1 372.831 3.088 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C#N)C2 ZINC001164908900 721745614 /nfs/dbraw/zinc/74/56/14/721745614.db2.gz NZIUGBCJTYWNQE-UHFFFAOYSA-N 1 1 359.433 3.136 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C#N)C2 ZINC001164908900 721745619 /nfs/dbraw/zinc/74/56/19/721745619.db2.gz NZIUGBCJTYWNQE-UHFFFAOYSA-N 1 1 359.433 3.136 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676476976 721806776 /nfs/dbraw/zinc/80/67/76/721806776.db2.gz DFCXZUBSZRSRAE-DLBZAZTESA-N 1 1 358.511 3.185 20 30 FGEDMO NC(=O)C1(c2ccccc2)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000676715189 721827633 /nfs/dbraw/zinc/82/76/33/721827633.db2.gz JDXMBMVEHMGTCS-UHFFFAOYSA-N 1 1 352.865 3.211 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000677176155 721867726 /nfs/dbraw/zinc/86/77/26/721867726.db2.gz CYEIFCYYUICHIN-CYBMUJFWSA-N 1 1 356.388 3.436 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000677176155 721867729 /nfs/dbraw/zinc/86/77/29/721867729.db2.gz CYEIFCYYUICHIN-CYBMUJFWSA-N 1 1 356.388 3.436 20 30 FGEDMO Cc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1CC#N ZINC001164955422 722022516 /nfs/dbraw/zinc/02/25/16/722022516.db2.gz GEOUCTWYKVHEHM-UHFFFAOYSA-N 1 1 361.493 3.344 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679681394 722040441 /nfs/dbraw/zinc/04/04/41/722040441.db2.gz GIUULFXVMWWZMW-KBPBESRZSA-N 1 1 358.454 3.355 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679681394 722040443 /nfs/dbraw/zinc/04/04/43/722040443.db2.gz GIUULFXVMWWZMW-KBPBESRZSA-N 1 1 358.454 3.355 20 30 FGEDMO N#Cc1cc(Cl)nnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164994317 722196258 /nfs/dbraw/zinc/19/62/58/722196258.db2.gz MZLWSQYTYZKLMK-LJQANCHMSA-N 1 1 371.847 3.386 20 30 FGEDMO N#Cc1cnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C#N)c1 ZINC001164993289 722196691 /nfs/dbraw/zinc/19/66/91/722196691.db2.gz FGTDELNNDBJCEQ-NRFANRHFSA-N 1 1 361.424 3.209 20 30 FGEDMO N#CC1(NC(=O)C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCC1 ZINC000784348510 724845480 /nfs/dbraw/zinc/84/54/80/724845480.db2.gz WELSMRVISFHQKW-CQSZACIVSA-N 1 1 351.372 3.057 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCC1 ZINC000784348510 724845482 /nfs/dbraw/zinc/84/54/82/724845482.db2.gz WELSMRVISFHQKW-CQSZACIVSA-N 1 1 351.372 3.057 20 30 FGEDMO COc1ccc(-c2nc3c(s2)C(=NN2CC[NH+](C)CC2)CCC3)cc1 ZINC000727779690 722447336 /nfs/dbraw/zinc/44/73/36/722447336.db2.gz PTWGCQAXJNGXHQ-UHFFFAOYSA-N 1 1 356.495 3.107 20 30 FGEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2nccn2CC(F)(F)F)cc1 ZINC000727838588 722447995 /nfs/dbraw/zinc/44/79/95/722447995.db2.gz HFTAVHRQYUMHRH-UHFFFAOYSA-N 1 1 351.376 3.085 20 30 FGEDMO C#CCOc1ccccc1C[NH2+]Cc1cc2c(C)nn(C)c2nc1Cl ZINC000734159568 722504837 /nfs/dbraw/zinc/50/48/37/722504837.db2.gz QMZREKVKZJMFHX-UHFFFAOYSA-N 1 1 354.841 3.232 20 30 FGEDMO CCOCCC[N@H+]1CCC(=NNC(=S)N[C@@H]2CCCC[C@H]2C)[C@H](C)C1 ZINC000735228103 722513497 /nfs/dbraw/zinc/51/34/97/722513497.db2.gz PMWXJCVGCVPFJD-BRWVUGGUSA-N 1 1 368.591 3.154 20 30 FGEDMO C#CCSCCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000739825819 722534002 /nfs/dbraw/zinc/53/40/02/722534002.db2.gz GJKQYEXWNNMHMB-QGZVFWFLSA-N 1 1 360.523 3.036 20 30 FGEDMO COc1ccc([C@@H]2[C@H](COC(=O)c3sccc3C#N)CC[N@H+]2C)cc1 ZINC000741120559 722542703 /nfs/dbraw/zinc/54/27/03/722542703.db2.gz IAYGTSANWCWZSE-DOTOQJQBSA-N 1 1 356.447 3.478 20 30 FGEDMO C=C(Br)COC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741324770 722544894 /nfs/dbraw/zinc/54/48/94/722544894.db2.gz FAJQEJBILSOWGC-CQSZACIVSA-N 1 1 356.235 3.490 20 30 FGEDMO CCOc1ccc(OCC)c(NC(=S)NN=C2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000741463862 722546165 /nfs/dbraw/zinc/54/61/65/722546165.db2.gz KIPOPSUKALIXCJ-CYBMUJFWSA-N 1 1 364.515 3.241 20 30 FGEDMO CN(CC(F)F)C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000746481662 722604279 /nfs/dbraw/zinc/60/42/79/722604279.db2.gz MEOCNMJDBSDQCS-UHFFFAOYSA-N 1 1 357.832 3.404 20 30 FGEDMO C=CC[N@H+](Cn1ncc2c1ccc(Br)c2C(=O)OC)C(C)C ZINC000790436263 723140094 /nfs/dbraw/zinc/14/00/94/723140094.db2.gz GFYXCYRRWCAEDW-UHFFFAOYSA-N 1 1 366.259 3.439 20 30 FGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000791570148 723259510 /nfs/dbraw/zinc/25/95/10/723259510.db2.gz ZMDUQNJZKNCGMK-HXUWFJFHSA-N 1 1 359.491 3.202 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000791570148 723259515 /nfs/dbraw/zinc/25/95/15/723259515.db2.gz ZMDUQNJZKNCGMK-HXUWFJFHSA-N 1 1 359.491 3.202 20 30 FGEDMO Cn1c(CC#N)nn(C[N@@H+]2CCC[C@](C)(c3ccccc3)CC2)c1=S ZINC000795671223 723605309 /nfs/dbraw/zinc/60/53/09/723605309.db2.gz LDMBHYDGUIDWRZ-IBGZPJMESA-N 1 1 355.511 3.418 20 30 FGEDMO Cn1c(CC#N)nn(C[N@H+]2CCC[C@](C)(c3ccccc3)CC2)c1=S ZINC000795671223 723605310 /nfs/dbraw/zinc/60/53/10/723605310.db2.gz LDMBHYDGUIDWRZ-IBGZPJMESA-N 1 1 355.511 3.418 20 30 FGEDMO Oc1c(Cl)cc(Cl)cc1/C=N\C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000767687153 723628826 /nfs/dbraw/zinc/62/88/26/723628826.db2.gz GONXHFGRGBGUCD-JFUPFHIVSA-N 1 1 357.281 3.496 20 30 FGEDMO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2CCCSCC#N)C1 ZINC000796570031 723644422 /nfs/dbraw/zinc/64/44/22/723644422.db2.gz HFTWZKFGONBFDI-SJORKVTESA-N 1 1 353.532 3.356 20 30 FGEDMO COc1cccc(O)c1C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000775181715 723969250 /nfs/dbraw/zinc/96/92/50/723969250.db2.gz QJWOFFBZTKBTEQ-UHFFFAOYSA-N 1 1 357.841 3.248 20 30 FGEDMO C#C[C@@H](NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000799042733 723984141 /nfs/dbraw/zinc/98/41/41/723984141.db2.gz NDHBWBKKWICLFX-SJLPKXTDSA-N 1 1 352.400 3.215 20 30 FGEDMO N#CC1(COC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000775856714 724073269 /nfs/dbraw/zinc/07/32/69/724073269.db2.gz MCFAKMRQRFQEJP-KRWDZBQOSA-N 1 1 352.356 3.288 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000778168673 724305919 /nfs/dbraw/zinc/30/59/19/724305919.db2.gz FVTMNKUDADIVKQ-MRXNPFEDSA-N 1 1 351.780 3.453 20 30 FGEDMO C[C@H](C#N)OCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000801912392 724344758 /nfs/dbraw/zinc/34/47/58/724344758.db2.gz PEUSLGSLKDCXOL-SNVBAGLBSA-N 1 1 363.767 3.158 20 30 FGEDMO C[C@H](C#N)OCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000801912392 724344762 /nfs/dbraw/zinc/34/47/62/724344762.db2.gz PEUSLGSLKDCXOL-SNVBAGLBSA-N 1 1 363.767 3.158 20 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Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000080929357 493793022 /nfs/dbraw/zinc/79/30/22/493793022.db2.gz YTDLKAYHYKZVMM-KRWDZBQOSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1noc(C(C)C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028690948 493797441 /nfs/dbraw/zinc/79/74/41/493797441.db2.gz RPIRMYSYBFBFGB-UHFFFAOYSA-N 1 1 366.465 3.326 20 30 FGEDMO Cc1noc(C(C)C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028690948 493797442 /nfs/dbraw/zinc/79/74/42/493797442.db2.gz RPIRMYSYBFBFGB-UHFFFAOYSA-N 1 1 366.465 3.326 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000075964312 493801750 /nfs/dbraw/zinc/80/17/50/493801750.db2.gz YCYRNMYVFWIGOC-OALUTQOASA-N 1 1 368.502 3.412 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)COCc1ccccc1F ZINC000076154148 493833617 /nfs/dbraw/zinc/83/36/17/493833617.db2.gz IIUOWWRDFLLCED-TUNNFDKTSA-N 1 1 368.452 3.475 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1F ZINC000076154148 493833620 /nfs/dbraw/zinc/83/36/20/493833620.db2.gz IIUOWWRDFLLCED-TUNNFDKTSA-N 1 1 368.452 3.475 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000076177600 493837924 /nfs/dbraw/zinc/83/79/24/493837924.db2.gz XZRQZFRESNYRNG-SFHVURJKSA-N 1 1 355.482 3.133 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825875 493860499 /nfs/dbraw/zinc/86/04/99/493860499.db2.gz IOYSXPARPDRJIK-FOIQADDNSA-N 1 1 354.454 3.062 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825875 493860502 /nfs/dbraw/zinc/86/05/02/493860502.db2.gz IOYSXPARPDRJIK-FOIQADDNSA-N 1 1 354.454 3.062 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000574075484 505687791 /nfs/dbraw/zinc/68/77/91/505687791.db2.gz RQLJJCNBDRPHCJ-SFHVURJKSA-N 1 1 359.433 3.245 20 30 FGEDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000081544980 493913479 /nfs/dbraw/zinc/91/34/79/493913479.db2.gz MRVSLYGUKHJQQZ-KRWDZBQOSA-N 1 1 372.513 3.389 20 30 FGEDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000081544980 493913483 /nfs/dbraw/zinc/91/34/83/493913483.db2.gz MRVSLYGUKHJQQZ-KRWDZBQOSA-N 1 1 372.513 3.389 20 30 FGEDMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000081544977 493913911 /nfs/dbraw/zinc/91/39/11/493913911.db2.gz MRVSLYGUKHJQQZ-QGZVFWFLSA-N 1 1 372.513 3.389 20 30 FGEDMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000081544977 493913918 /nfs/dbraw/zinc/91/39/18/493913918.db2.gz MRVSLYGUKHJQQZ-QGZVFWFLSA-N 1 1 372.513 3.389 20 30 FGEDMO COC(=O)[C@@H](C)C[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000060333787 493923531 /nfs/dbraw/zinc/92/35/31/493923531.db2.gz LEULCDAFGFPBJS-KRWDZBQOSA-N 1 1 352.434 3.248 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000580157883 505690400 /nfs/dbraw/zinc/69/04/00/505690400.db2.gz YSHAHVAATYNEFR-SFHVURJKSA-N 1 1 361.534 3.262 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCC(=O)Nc1ccccc1C#N ZINC000076802213 493973232 /nfs/dbraw/zinc/97/32/32/493973232.db2.gz WMSDNBOMMCHZSR-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000076802213 493973234 /nfs/dbraw/zinc/97/32/34/493973234.db2.gz WMSDNBOMMCHZSR-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000076802213 493973238 /nfs/dbraw/zinc/97/32/38/493973238.db2.gz WMSDNBOMMCHZSR-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000076912886 493987804 /nfs/dbraw/zinc/98/78/04/493987804.db2.gz IDUZRBRJRXXROD-UHFFFAOYSA-N 1 1 364.287 3.176 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000076912886 493987807 /nfs/dbraw/zinc/98/78/07/493987807.db2.gz IDUZRBRJRXXROD-UHFFFAOYSA-N 1 1 364.287 3.176 20 30 FGEDMO C=CCOc1ccccc1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000032429646 493989127 /nfs/dbraw/zinc/98/91/27/493989127.db2.gz ZYKIVJUUJHPLFJ-OAHLLOKOSA-N 1 1 356.491 3.490 20 30 FGEDMO C=CCOc1ccccc1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000032429646 493989130 /nfs/dbraw/zinc/98/91/30/493989130.db2.gz ZYKIVJUUJHPLFJ-OAHLLOKOSA-N 1 1 356.491 3.490 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3sccc3C#N)cc2)C[C@H](C)O1 ZINC000052034837 494001145 /nfs/dbraw/zinc/00/11/45/494001145.db2.gz KFXBYMPTGHEPPZ-GASCZTMLSA-N 1 1 369.490 3.159 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000083418732 494016147 /nfs/dbraw/zinc/01/61/47/494016147.db2.gz UGINWQDYTPIALR-HNNXBMFYSA-N 1 1 361.511 3.158 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000083418732 494016151 /nfs/dbraw/zinc/01/61/51/494016151.db2.gz UGINWQDYTPIALR-HNNXBMFYSA-N 1 1 361.511 3.158 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H](C)C2)c1C#N ZINC000007445659 494022860 /nfs/dbraw/zinc/02/28/60/494022860.db2.gz HDFJTTVMCPHJTK-CQSZACIVSA-N 1 1 354.454 3.288 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)c1C#N ZINC000007445659 494022862 /nfs/dbraw/zinc/02/28/62/494022862.db2.gz HDFJTTVMCPHJTK-CQSZACIVSA-N 1 1 354.454 3.288 20 30 FGEDMO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000052580813 494042564 /nfs/dbraw/zinc/04/25/64/494042564.db2.gz ZSNSLWGEFRDOHY-MRXNPFEDSA-N 1 1 351.450 3.218 20 30 FGEDMO COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000052580813 494042567 /nfs/dbraw/zinc/04/25/67/494042567.db2.gz ZSNSLWGEFRDOHY-MRXNPFEDSA-N 1 1 351.450 3.218 20 30 FGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1cccc(C)c1 ZINC000063381179 494050012 /nfs/dbraw/zinc/05/00/12/494050012.db2.gz QKZGDKRXOSWAOO-LJQANCHMSA-N 1 1 356.422 3.331 20 30 FGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1cccc(C)c1 ZINC000063381179 494050014 /nfs/dbraw/zinc/05/00/14/494050014.db2.gz QKZGDKRXOSWAOO-LJQANCHMSA-N 1 1 356.422 3.331 20 30 FGEDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801068 494062368 /nfs/dbraw/zinc/06/23/68/494062368.db2.gz LELLPEYEQGAKLD-SFHVURJKSA-N 1 1 374.488 3.048 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000063517805 494062706 /nfs/dbraw/zinc/06/27/06/494062706.db2.gz XNTKSLIBMDUJPK-UHFFFAOYSA-N 1 1 371.488 3.452 20 30 FGEDMO COCC[N@@H+](CCC(=O)Nc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000063753969 494084221 /nfs/dbraw/zinc/08/42/21/494084221.db2.gz MZICRWKEGVIBBM-UHFFFAOYSA-N 1 1 355.413 3.175 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815062 494169655 /nfs/dbraw/zinc/16/96/55/494169655.db2.gz STUQPQPOHQQZOP-MRXNPFEDSA-N 1 1 353.466 3.212 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000053815062 494169659 /nfs/dbraw/zinc/16/96/59/494169659.db2.gz STUQPQPOHQQZOP-MRXNPFEDSA-N 1 1 353.466 3.212 20 30 FGEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc2c(c1)OCO2 ZINC000011364625 494175452 /nfs/dbraw/zinc/17/54/52/494175452.db2.gz IVYUUNSJFYKOFC-UHFFFAOYSA-N 1 1 371.824 3.401 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc2c(c1)OCO2 ZINC000011364625 494175456 /nfs/dbraw/zinc/17/54/56/494175456.db2.gz IVYUUNSJFYKOFC-UHFFFAOYSA-N 1 1 371.824 3.401 20 30 FGEDMO C[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000041847286 494183856 /nfs/dbraw/zinc/18/38/56/494183856.db2.gz PFEXPFHDIYWFCD-KRWDZBQOSA-N 1 1 366.292 3.176 20 30 FGEDMO C[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000041847286 494183859 /nfs/dbraw/zinc/18/38/59/494183859.db2.gz PFEXPFHDIYWFCD-KRWDZBQOSA-N 1 1 366.292 3.176 20 30 FGEDMO CC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000065432994 494196889 /nfs/dbraw/zinc/19/68/89/494196889.db2.gz BEZMUASPSRIQMU-DYESRHJHSA-N 1 1 363.461 3.447 20 30 FGEDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571329857 505707420 /nfs/dbraw/zinc/70/74/20/505707420.db2.gz BPLWJPSDJSYTDJ-HNNXBMFYSA-N 1 1 367.405 3.278 20 30 FGEDMO N#Cc1cnn2cc(C[NH2+]C3(c4ccc(F)cc4F)CCCC3)cnc12 ZINC000574158348 505707496 /nfs/dbraw/zinc/70/74/96/505707496.db2.gz NDDHAQXRUJSAGN-UHFFFAOYSA-N 1 1 353.376 3.438 20 30 FGEDMO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)c(OC)c1 ZINC000042184126 494207725 /nfs/dbraw/zinc/20/77/25/494207725.db2.gz LZCHICQAVASHIO-KBPBESRZSA-N 1 1 353.422 3.253 20 30 FGEDMO C=CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(OC)cc1 ZINC000054271903 494214380 /nfs/dbraw/zinc/21/43/80/494214380.db2.gz GGZADLATYCUMJA-UHFFFAOYSA-N 1 1 355.482 3.368 20 30 FGEDMO C=CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(OC)cc1 ZINC000054271903 494214382 /nfs/dbraw/zinc/21/43/82/494214382.db2.gz GGZADLATYCUMJA-UHFFFAOYSA-N 1 1 355.482 3.368 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccsc1C(=O)OC ZINC000065959608 494262999 /nfs/dbraw/zinc/26/29/99/494262999.db2.gz FPKPZPJIFXEREY-UHFFFAOYSA-N 1 1 358.463 3.204 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccsc1C(=O)OC ZINC000065959608 494263001 /nfs/dbraw/zinc/26/30/01/494263001.db2.gz FPKPZPJIFXEREY-UHFFFAOYSA-N 1 1 358.463 3.204 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c(F)c1 ZINC000055031925 494291826 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C[C@@H](CCNC(=O)Cc1cccc(OCC#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000089773545 494361507 /nfs/dbraw/zinc/36/15/07/494361507.db2.gz PAQJMONKGDAXFB-SFHVURJKSA-N 1 1 365.477 3.158 20 30 FGEDMO N#CCc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000045033856 494392850 /nfs/dbraw/zinc/39/28/50/494392850.db2.gz KSDYWKTYUBJCLJ-UHFFFAOYSA-N 1 1 351.425 3.240 20 30 FGEDMO N#CCc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000045033856 494392853 /nfs/dbraw/zinc/39/28/53/494392853.db2.gz KSDYWKTYUBJCLJ-UHFFFAOYSA-N 1 1 351.425 3.240 20 30 FGEDMO N#Cc1cccc(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000023288839 494559925 /nfs/dbraw/zinc/55/99/25/494559925.db2.gz HIGQJMGYUOCZFC-UHFFFAOYSA-N 1 1 355.869 3.408 20 30 FGEDMO N#Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000067570085 494570481 /nfs/dbraw/zinc/57/04/81/494570481.db2.gz HYJIVPRRCPLJIC-NRFANRHFSA-N 1 1 362.477 3.270 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000080063936 494582448 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CC[N@H+]1CC[C@H](N(C)C(=O)NCCSCc2ccccc2C#N)[C@H](C)C1 ZINC000178687380 496540651 /nfs/dbraw/zinc/54/06/51/496540651.db2.gz XOPMVXTWVMFFHL-APWZRJJASA-N 1 1 374.554 3.163 20 30 FGEDMO COc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc(OC)c1 ZINC000187713003 496543405 /nfs/dbraw/zinc/54/34/05/496543405.db2.gz OJMMBMHJMXKHDK-AWEZNQCLSA-N 1 1 353.422 3.207 20 30 FGEDMO COc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc(OC)c1 ZINC000187713003 496543414 /nfs/dbraw/zinc/54/34/14/496543414.db2.gz OJMMBMHJMXKHDK-AWEZNQCLSA-N 1 1 353.422 3.207 20 30 FGEDMO N#Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccc(F)c2)cc1 ZINC000157763866 496547744 /nfs/dbraw/zinc/54/77/44/496547744.db2.gz ABJXJYYZESXGGR-UHFFFAOYSA-N 1 1 367.468 3.422 20 30 FGEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(F)c(F)c1 ZINC000187772942 496566788 /nfs/dbraw/zinc/56/67/88/496566788.db2.gz QCSRALQZUJMPRS-XIKOKIGWSA-N 1 1 373.403 3.298 20 30 FGEDMO C=C(C)[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(F)c1 ZINC000187777296 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CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)C12CCC2 ZINC000154024590 496658838 /nfs/dbraw/zinc/65/88/38/496658838.db2.gz FYXDTIYOCPUVIN-JKSUJKDBSA-N 1 1 361.511 3.455 20 30 FGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)C12CCC2 ZINC000154024590 496658842 /nfs/dbraw/zinc/65/88/42/496658842.db2.gz FYXDTIYOCPUVIN-JKSUJKDBSA-N 1 1 361.511 3.455 20 30 FGEDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCOc3cccc(C#N)c3)n2)c1 ZINC000185107904 496663014 /nfs/dbraw/zinc/66/30/14/496663014.db2.gz OTMCVLYSCDEEFC-AWEZNQCLSA-N 1 1 364.405 3.346 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(F)c1C#N ZINC000188338623 496756252 /nfs/dbraw/zinc/75/62/52/496756252.db2.gz KYYOEAVHNFUFLV-QGZVFWFLSA-N 1 1 351.425 3.291 20 30 FGEDMO CCc1oc(C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1C(=O)OC ZINC000569172252 505867903 /nfs/dbraw/zinc/86/79/03/505867903.db2.gz INIBYSUGRTWHBM-UHFFFAOYSA-N 1 1 356.422 3.149 20 30 FGEDMO CCc1oc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1C(=O)OC ZINC000569172252 505867907 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372.856 3.025 20 30 FGEDMO N#Cc1ccc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)c(F)c1 ZINC000269437722 496947377 /nfs/dbraw/zinc/94/73/77/496947377.db2.gz RNUUVVURCMCXQS-GOSISDBHSA-N 1 1 366.440 3.007 20 30 FGEDMO CC[C@H](C)[C@H](C)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000264698564 496966275 /nfs/dbraw/zinc/96/62/75/496966275.db2.gz JMFJHEFRLVVAJQ-GRDNDAEWSA-N 1 1 366.465 3.411 20 30 FGEDMO CC[C@H](C)[C@H](C)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000264698564 496966278 /nfs/dbraw/zinc/96/62/78/496966278.db2.gz JMFJHEFRLVVAJQ-GRDNDAEWSA-N 1 1 366.465 3.411 20 30 FGEDMO N#Cc1ccc(C[N@H+](CCC(=O)N2CCc3ccccc3C2)C2CC2)cc1 ZINC000188981604 496967759 /nfs/dbraw/zinc/96/77/59/496967759.db2.gz OULASMIKEDTUHA-UHFFFAOYSA-N 1 1 359.473 3.498 20 30 FGEDMO CC(C)C(=O)NC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000269563230 496970775 /nfs/dbraw/zinc/97/07/75/496970775.db2.gz JSHDNOYDWPDQIZ-UHFFFAOYSA-N 1 1 368.399 3.173 20 30 FGEDMO COc1c(O)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000278155540 497022611 /nfs/dbraw/zinc/02/26/11/497022611.db2.gz CVVISVDVXMENNV-UHFFFAOYSA-N 1 1 353.378 3.345 20 30 FGEDMO COC(=O)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)o1 ZINC000265126045 497052234 /nfs/dbraw/zinc/05/22/34/497052234.db2.gz FPZYCRVBOPHILC-UHFFFAOYSA-N 1 1 364.405 3.133 20 30 FGEDMO C[C@H](S[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000578192100 505883426 /nfs/dbraw/zinc/88/34/26/505883426.db2.gz ASAXBJCLMQZEEW-WMZOPIPTSA-N 1 1 357.523 3.335 20 30 FGEDMO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cc(C(N)=O)co3)c2)c1 ZINC000189399682 497106202 /nfs/dbraw/zinc/10/62/02/497106202.db2.gz XVANUQCATSYTPL-UHFFFAOYSA-N 1 1 361.401 3.119 20 30 FGEDMO C=CCOc1ccc(/C=C/C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000265354600 497106745 /nfs/dbraw/zinc/10/67/45/497106745.db2.gz YELUVHRHNRZUHF-SXAWMYDMSA-N 1 1 358.482 3.073 20 30 FGEDMO C[N@@H+](CCOc1cccc(CNc2cccc(C#N)n2)c1)C1CCOCC1 ZINC000265478559 497126462 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3.380 20 30 FGEDMO C=C[C@@](C)(CCOC)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000275806509 497436660 /nfs/dbraw/zinc/43/66/60/497436660.db2.gz PKTSLCSZTMUYPR-QFIPXVFZSA-N 1 1 356.510 3.265 20 30 FGEDMO CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279454727 497442889 /nfs/dbraw/zinc/44/28/89/497442889.db2.gz SYENAYOTOGULOV-UHFFFAOYSA-N 1 1 366.513 3.163 20 30 FGEDMO CC(C)N1CCC([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279454727 497442894 /nfs/dbraw/zinc/44/28/94/497442894.db2.gz SYENAYOTOGULOV-UHFFFAOYSA-N 1 1 366.513 3.163 20 30 FGEDMO CC(C)N1CCC([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279454727 497442900 /nfs/dbraw/zinc/44/29/00/497442900.db2.gz SYENAYOTOGULOV-UHFFFAOYSA-N 1 1 366.513 3.163 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)c2cccnc2)c(OC)c1 ZINC000245540025 497445823 /nfs/dbraw/zinc/44/58/23/497445823.db2.gz OSKVKNYRPQQVSA-VQIMIIECSA-N 1 1 356.466 3.251 20 30 FGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000245573112 497463141 /nfs/dbraw/zinc/46/31/41/497463141.db2.gz YSPCZBBSBYQAFF-DOADOZAASA-N 1 1 357.498 3.051 20 30 FGEDMO CO[C@@H](C)c1nc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cs1 ZINC000271844116 497467621 /nfs/dbraw/zinc/46/76/21/497467621.db2.gz HJGKJJKVLUHVNE-HNNXBMFYSA-N 1 1 370.522 3.476 20 30 FGEDMO N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193847463 497500193 /nfs/dbraw/zinc/50/01/93/497500193.db2.gz HIVSBSABTCNPAE-INIZCTEOSA-N 1 1 352.413 3.341 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccc(OCC#N)c1 ZINC000272034780 497518657 /nfs/dbraw/zinc/51/86/57/497518657.db2.gz XEXDTBWRDMPRNY-MRXNPFEDSA-N 1 1 352.438 3.231 20 30 FGEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245809942 497543465 /nfs/dbraw/zinc/54/34/65/497543465.db2.gz ZFLQXJNXDOVYOV-RBUKOAKNSA-N 1 1 364.511 3.157 20 30 FGEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245809942 497543467 /nfs/dbraw/zinc/54/34/67/497543467.db2.gz ZFLQXJNXDOVYOV-RBUKOAKNSA-N 1 1 364.511 3.157 20 30 FGEDMO C#CC[NH+]1CCC(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)CC1 ZINC000194046083 497557304 /nfs/dbraw/zinc/55/73/04/497557304.db2.gz OCVDNEPATILPIQ-JOCHJYFZSA-N 1 1 372.472 3.114 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245926015 497573868 /nfs/dbraw/zinc/57/38/68/497573868.db2.gz XNMAJJVJCOHZEI-PXNSSMCTSA-N 1 1 351.494 3.463 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)o2)c1 ZINC000575085733 505917078 /nfs/dbraw/zinc/91/70/78/505917078.db2.gz HHENZXKGMBWWDK-KSZLIROESA-N 1 1 352.438 3.124 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)o2)c1 ZINC000575085734 505917111 /nfs/dbraw/zinc/91/71/11/505917111.db2.gz HHENZXKGMBWWDK-KURKYZTESA-N 1 1 352.438 3.124 20 30 FGEDMO COCC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccco1 ZINC000272379823 497612816 /nfs/dbraw/zinc/61/28/16/497612816.db2.gz BIDBCAFMZLYAJL-QAPCUYQASA-N 1 1 373.428 3.421 20 30 FGEDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000280068916 497638565 /nfs/dbraw/zinc/63/85/65/497638565.db2.gz IQQBKMNCQNXLQT-UHFFFAOYSA-N 1 1 364.449 3.240 20 30 FGEDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000280151436 497664399 /nfs/dbraw/zinc/66/43/99/497664399.db2.gz QEPUKIDIWBNRST-NSHDSACASA-N 1 1 352.456 3.403 20 30 FGEDMO CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000246230232 497668911 /nfs/dbraw/zinc/66/89/11/497668911.db2.gz GUUZXJPWAIWPBJ-YLJYHZDGSA-N 1 1 368.477 3.260 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC000246618470 497790146 /nfs/dbraw/zinc/79/01/46/497790146.db2.gz IFTJFHDQFQQUNO-GBESFXJTSA-N 1 1 357.498 3.174 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246801423 497812112 /nfs/dbraw/zinc/81/21/12/497812112.db2.gz RPYNCUQQOFCBMG-NUJGCVRESA-N 1 1 373.522 3.378 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246801423 497812113 /nfs/dbraw/zinc/81/21/13/497812113.db2.gz RPYNCUQQOFCBMG-NUJGCVRESA-N 1 1 373.522 3.378 20 30 FGEDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1 ZINC000291979273 497823428 /nfs/dbraw/zinc/82/34/28/497823428.db2.gz PQIIBWPDEHBVAF-UHFFFAOYSA-N 1 1 374.492 3.087 20 30 FGEDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000280610468 497825569 /nfs/dbraw/zinc/82/55/69/497825569.db2.gz OTQUAEIZIQZCAK-MBOZVWFJSA-N 1 1 369.509 3.202 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@]2(C)CCO[C@H]2C2CC2)C1 ZINC000329572000 497832905 /nfs/dbraw/zinc/83/29/05/497832905.db2.gz QYOCNJDHVPGXOU-PXDUREFJSA-N 1 1 357.498 3.283 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](c4ccncc4)C3)C2=O)cc1 ZINC000329593732 497839057 /nfs/dbraw/zinc/83/90/57/497839057.db2.gz OMDIRPJZHIEIHW-CTNGQTDRSA-N 1 1 360.461 3.328 20 30 FGEDMO N#CCCN(Cc1cccnc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000299555338 497846749 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360.454 3.409 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000329804674 497907785 /nfs/dbraw/zinc/90/77/85/497907785.db2.gz KIMFECXJYZQTJU-UZLBHIALSA-N 1 1 367.497 3.024 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000329804674 497907792 /nfs/dbraw/zinc/90/77/92/497907792.db2.gz KIMFECXJYZQTJU-UZLBHIALSA-N 1 1 367.497 3.024 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000329804674 497907797 /nfs/dbraw/zinc/90/77/97/497907797.db2.gz KIMFECXJYZQTJU-UZLBHIALSA-N 1 1 367.497 3.024 20 30 FGEDMO C=CCC[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000581270894 505948014 /nfs/dbraw/zinc/94/80/14/505948014.db2.gz WMLDIURVOWYWLO-UXHICEINSA-N 1 1 371.525 3.143 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2CCc3ccccc3C2=O)C1 ZINC000329838498 497920671 /nfs/dbraw/zinc/92/06/71/497920671.db2.gz ITYDQAWVWWMACJ-INIZCTEOSA-N 1 1 357.498 3.152 20 30 FGEDMO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000569499425 505949586 /nfs/dbraw/zinc/94/95/86/505949586.db2.gz IAXQSQZYJKXJKJ-QFBILLFUSA-N 1 1 369.490 3.200 20 30 FGEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000569499425 505949589 /nfs/dbraw/zinc/94/95/89/505949589.db2.gz IAXQSQZYJKXJKJ-QFBILLFUSA-N 1 1 369.490 3.200 20 30 FGEDMO COc1ccc(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)cc1C#N ZINC000280896193 497939806 /nfs/dbraw/zinc/93/98/06/497939806.db2.gz QMAJQIQINXNMFL-QRWLVFNGSA-N 1 1 372.490 3.139 20 30 FGEDMO C=C(C)Cn1c(-c2scnc2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000575311383 505958367 /nfs/dbraw/zinc/95/83/67/505958367.db2.gz CURPXBCMBGUUEF-GOEBONIOSA-N 1 1 374.558 3.453 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCOc2ccccc21 ZINC000329998365 497985565 /nfs/dbraw/zinc/98/55/65/497985565.db2.gz SDEKLNJPCFIXOM-OAHLLOKOSA-N 1 1 365.437 3.094 20 30 FGEDMO O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330162851 498046514 /nfs/dbraw/zinc/04/65/14/498046514.db2.gz UUDWLVFSCYIUKG-IRXDYDNUSA-N 1 1 359.861 3.288 20 30 FGEDMO CC(=O)N1CCC([N@H+](CC#Cc2ccc(F)cc2)Cc2cncs2)CC1 ZINC000292546921 498055554 /nfs/dbraw/zinc/05/55/54/498055554.db2.gz YGKZXOFJJYCFIF-UHFFFAOYSA-N 1 1 371.481 3.147 20 30 FGEDMO CC(=O)N1CCC([N@@H+](CC#Cc2ccc(F)cc2)Cc2cncs2)CC1 ZINC000292546921 498055558 /nfs/dbraw/zinc/05/55/58/498055558.db2.gz YGKZXOFJJYCFIF-UHFFFAOYSA-N 1 1 371.481 3.147 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCOC3(CCC3)C2)C1 ZINC000330207725 498062226 /nfs/dbraw/zinc/06/22/26/498062226.db2.gz GEKLGSAMFTZGAA-SJORKVTESA-N 1 1 351.535 3.492 20 30 FGEDMO Cc1cc(F)cc2c1ncc(C#N)c2N1CC[NH+](Cc2cccnc2)CC1 ZINC000301337894 498063328 /nfs/dbraw/zinc/06/33/28/498063328.db2.gz HDDYNXIUELQJHZ-UHFFFAOYSA-N 1 1 361.424 3.271 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000330265153 498085266 /nfs/dbraw/zinc/08/52/66/498085266.db2.gz YVIARNLFOUIOPE-UHFFFAOYSA-N 1 1 374.485 3.436 20 30 FGEDMO CNC(=O)[C@]1(C)CCN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000330279497 498090786 /nfs/dbraw/zinc/09/07/86/498090786.db2.gz RDIFJGINOCTHKQ-FXAWDEMLSA-N 1 1 364.534 3.243 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289303859 498098483 /nfs/dbraw/zinc/09/84/83/498098483.db2.gz IMYUJDKWXDCHRB-MRXNPFEDSA-N 1 1 358.461 3.073 20 30 FGEDMO C[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccccc1 ZINC000330328051 498106591 /nfs/dbraw/zinc/10/65/91/498106591.db2.gz LKDXATDFUGJVSO-IMFGXOCKSA-N 1 1 369.513 3.410 20 30 FGEDMO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000330335220 498109653 /nfs/dbraw/zinc/10/96/53/498109653.db2.gz RJIBZVJIBKSLBX-KFKAGJAMSA-N 1 1 360.502 3.344 20 30 FGEDMO O=C(NCc1nc(-c2ccncc2)cs1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000330362874 498119945 /nfs/dbraw/zinc/11/99/45/498119945.db2.gz ZZPZYLIBRLKQQV-KRWDZBQOSA-N 1 1 372.494 3.305 20 30 FGEDMO CC(C)Cn1ncc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C(F)F 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30 FGEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000292995610 498227480 /nfs/dbraw/zinc/22/74/80/498227480.db2.gz ODLOVBGBPOGHEY-UHFFFAOYSA-N 1 1 366.513 3.371 20 30 FGEDMO CCc1ccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1S(C)(=O)=O ZINC000331006727 498236120 /nfs/dbraw/zinc/23/61/20/498236120.db2.gz XTZDMZYRHWOGAD-UHFFFAOYSA-N 1 1 366.527 3.079 20 30 FGEDMO CCc1ccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1S(C)(=O)=O ZINC000331006727 498236127 /nfs/dbraw/zinc/23/61/27/498236127.db2.gz XTZDMZYRHWOGAD-UHFFFAOYSA-N 1 1 366.527 3.079 20 30 FGEDMO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000296885666 498237414 /nfs/dbraw/zinc/23/74/14/498237414.db2.gz VEIGUUBQSCYHMX-BEFAXECRSA-N 1 1 361.511 3.378 20 30 FGEDMO COC[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000296885666 498237418 /nfs/dbraw/zinc/23/74/18/498237418.db2.gz VEIGUUBQSCYHMX-BEFAXECRSA-N 1 1 361.511 3.378 20 30 FGEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)C1 ZINC000331079224 498248681 /nfs/dbraw/zinc/24/86/81/498248681.db2.gz KQPPGBFHSWJURH-INIZCTEOSA-N 1 1 374.529 3.342 20 30 FGEDMO CC[C@H](C)n1ncc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000331081350 498248809 /nfs/dbraw/zinc/24/88/09/498248809.db2.gz OIPXOHQXGUMXQR-KKUMJFAQSA-N 1 1 350.507 3.355 20 30 FGEDMO COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc(Cl)c1F ZINC000331111937 498255428 /nfs/dbraw/zinc/25/54/28/498255428.db2.gz ITEQXNXVJAYBJZ-AWEZNQCLSA-N 1 1 371.840 3.083 20 30 FGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000365019215 498258513 /nfs/dbraw/zinc/25/85/13/498258513.db2.gz MWGQGZWRZXQXKD-JKSUJKDBSA-N 1 1 356.470 3.458 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000365021035 498259700 /nfs/dbraw/zinc/25/97/00/498259700.db2.gz TYHAPBWZEIGATN-IAGOWNOFSA-N 1 1 360.889 3.420 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000365021035 498259708 /nfs/dbraw/zinc/25/97/08/498259708.db2.gz TYHAPBWZEIGATN-IAGOWNOFSA-N 1 1 360.889 3.420 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293081268 498261352 /nfs/dbraw/zinc/26/13/52/498261352.db2.gz WFRUGVJIMFLQGP-FQEVSTJZSA-N 1 1 359.539 3.321 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC000331163464 498266568 /nfs/dbraw/zinc/26/65/68/498266568.db2.gz XMJWXPVABSZCIG-OCCSQVGLSA-N 1 1 374.407 3.373 20 30 FGEDMO CCNC(=O)N(C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000331178026 498269011 /nfs/dbraw/zinc/26/90/11/498269011.db2.gz GBHKFSPQOMNCGM-WMLDXEAASA-N 1 1 361.490 3.017 20 30 FGEDMO CC(C)[C@H](CNC(=O)Nc1ncc(C(C)(C)C)s1)N1CC[NH+](C)CC1 ZINC000331232493 498281274 /nfs/dbraw/zinc/28/12/74/498281274.db2.gz FMAIFRCFSVPPGX-AWEZNQCLSA-N 1 1 367.563 3.039 20 30 FGEDMO COC[C@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000296999996 498282637 /nfs/dbraw/zinc/28/26/37/498282637.db2.gz ZXGSERAGRITVCH-LJQANCHMSA-N 1 1 363.889 3.254 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@H]1C ZINC000331247290 498284180 /nfs/dbraw/zinc/28/41/80/498284180.db2.gz VLIPADDPXCBWCH-NVXWUHKLSA-N 1 1 357.502 3.269 20 30 FGEDMO CCOc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1Cl ZINC000331310121 498297512 /nfs/dbraw/zinc/29/75/12/498297512.db2.gz YMDQXVHIMBFKCZ-CYBMUJFWSA-N 1 1 369.893 3.061 20 30 FGEDMO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281910376 498315515 /nfs/dbraw/zinc/31/55/15/498315515.db2.gz GLELMZPAWMQAJU-IBGZPJMESA-N 1 1 358.482 3.193 20 30 FGEDMO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281910376 498315519 /nfs/dbraw/zinc/31/55/19/498315519.db2.gz GLELMZPAWMQAJU-IBGZPJMESA-N 1 1 358.482 3.193 20 30 FGEDMO Cn1cc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc(F)c(Cl)c2)cn1 ZINC000365156061 498326348 /nfs/dbraw/zinc/32/63/48/498326348.db2.gz LKBPKRDDWYZMDV-GOSISDBHSA-N 1 1 357.820 3.302 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1C#N ZINC000282006136 498353463 /nfs/dbraw/zinc/35/34/63/498353463.db2.gz JEIRVVWIHAHVAQ-KRWDZBQOSA-N 1 1 350.466 3.479 20 30 FGEDMO CN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282028406 498362710 /nfs/dbraw/zinc/36/27/10/498362710.db2.gz SVJJYNDCOUOTJL-QLOJAFMTSA-N 1 1 354.498 3.232 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)CC#Cc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000365239359 498368213 /nfs/dbraw/zinc/36/82/13/498368213.db2.gz DQIOHSNVAFPERT-RBBKRZOGSA-N 1 1 350.510 3.177 20 30 FGEDMO CCN1CCC[C@@H](C[N@H+](C)CC#Cc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000365239359 498368215 /nfs/dbraw/zinc/36/82/15/498368215.db2.gz DQIOHSNVAFPERT-RBBKRZOGSA-N 1 1 350.510 3.177 20 30 FGEDMO CCN1CCC[C@@H](C[N@@H+](C)CC#Cc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000365239359 498368219 /nfs/dbraw/zinc/36/82/19/498368219.db2.gz DQIOHSNVAFPERT-RBBKRZOGSA-N 1 1 350.510 3.177 20 30 FGEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000365241902 498369323 /nfs/dbraw/zinc/36/93/23/498369323.db2.gz SRGZHFSHFCGOAY-LJQANCHMSA-N 1 1 363.465 3.295 20 30 FGEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccccc1OC ZINC000282057389 498373283 /nfs/dbraw/zinc/37/32/83/498373283.db2.gz RXEIRUFXYDGWSM-UHFFFAOYSA-N 1 1 373.497 3.446 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290030068 498400175 /nfs/dbraw/zinc/40/01/75/498400175.db2.gz VSWJQXZBSDOTFG-IAGOWNOFSA-N 1 1 358.511 3.103 20 30 FGEDMO Cc1ccnc(NC(=O)C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000361694172 498420042 /nfs/dbraw/zinc/42/00/42/498420042.db2.gz OMFNZJGZMWVGPK-UHFFFAOYSA-N 1 1 352.413 3.252 20 30 FGEDMO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000361829225 498436093 /nfs/dbraw/zinc/43/60/93/498436093.db2.gz GLIPMVXTXPZZCJ-INIZCTEOSA-N 1 1 351.410 3.186 20 30 FGEDMO Cc1cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(C#N)cc1N(C)C ZINC000578848302 506035619 /nfs/dbraw/zinc/03/56/19/506035619.db2.gz FZADCUHEGPNBCF-OAHLLOKOSA-N 1 1 369.513 3.271 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)nc1 ZINC000575932709 506035625 /nfs/dbraw/zinc/03/56/25/506035625.db2.gz RQQMPPGAQRAPCX-UHFFFAOYSA-N 1 1 351.450 3.403 20 30 FGEDMO CC(C)Cc1nsc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000302237781 498455835 /nfs/dbraw/zinc/45/58/35/498455835.db2.gz KSPDJHWEXOLQTE-UHFFFAOYSA-N 1 1 355.511 3.321 20 30 FGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331856558 498477115 /nfs/dbraw/zinc/47/71/15/498477115.db2.gz APUHWNUHKVEWLH-QGZVFWFLSA-N 1 1 374.554 3.099 20 30 FGEDMO CC(C)[C@H]1CN(C)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331856558 498477122 /nfs/dbraw/zinc/47/71/22/498477122.db2.gz APUHWNUHKVEWLH-QGZVFWFLSA-N 1 1 374.554 3.099 20 30 FGEDMO CC(C)[C@H]1CN(C)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000331856558 498477131 /nfs/dbraw/zinc/47/71/31/498477131.db2.gz APUHWNUHKVEWLH-QGZVFWFLSA-N 1 1 374.554 3.099 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@H](C)[C@@H]3C)sc2C1 ZINC000331898680 498492470 /nfs/dbraw/zinc/49/24/70/498492470.db2.gz HLVAKFUOCRGOSZ-HZSPNIEDSA-N 1 1 361.511 3.182 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@H](C)[C@@H]3C)sc2C1 ZINC000331898680 498492476 /nfs/dbraw/zinc/49/24/76/498492476.db2.gz HLVAKFUOCRGOSZ-HZSPNIEDSA-N 1 1 361.511 3.182 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C)C1 ZINC000282419171 498503933 /nfs/dbraw/zinc/50/39/33/498503933.db2.gz QROAGBXYSSFXHE-ZIAGYGMSSA-N 1 1 361.511 3.326 20 30 FGEDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000302650790 498523356 /nfs/dbraw/zinc/52/33/56/498523356.db2.gz JXGBLKKKJJFMQF-HNNXBMFYSA-N 1 1 369.488 3.240 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282494189 498534019 /nfs/dbraw/zinc/53/40/19/498534019.db2.gz QEDBUDDPWHMTTQ-ACDBMABISA-N 1 1 350.466 3.053 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000569962629 506056954 /nfs/dbraw/zinc/05/69/54/506056954.db2.gz BEWDPIOBZKJYEM-MRXNPFEDSA-N 1 1 365.452 3.366 20 30 FGEDMO C=CCNC(=O)c1ccc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)nc1 ZINC000302839914 498597536 /nfs/dbraw/zinc/59/75/36/498597536.db2.gz ZRYABJDHNFSBQC-MJGOQNOKSA-N 1 1 372.419 3.133 20 30 FGEDMO C=CCNC(=O)c1ccc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)nc1 ZINC000302839914 498597540 /nfs/dbraw/zinc/59/75/40/498597540.db2.gz ZRYABJDHNFSBQC-MJGOQNOKSA-N 1 1 372.419 3.133 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000302994123 498637491 /nfs/dbraw/zinc/63/74/91/498637491.db2.gz MYFCPZMNXHQDHU-UHFFFAOYSA-N 1 1 366.461 3.451 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000302994123 498637497 /nfs/dbraw/zinc/63/74/97/498637497.db2.gz MYFCPZMNXHQDHU-UHFFFAOYSA-N 1 1 366.461 3.451 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000302988761 498638215 /nfs/dbraw/zinc/63/82/15/498638215.db2.gz VVRAXMMWWPCLGP-NFBKMPQASA-N 1 1 373.456 3.205 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000302988761 498638219 /nfs/dbraw/zinc/63/82/19/498638219.db2.gz VVRAXMMWWPCLGP-NFBKMPQASA-N 1 1 373.456 3.205 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCN(C)c1ccccc1 ZINC000303292261 498662637 /nfs/dbraw/zinc/66/26/37/498662637.db2.gz MPUGDICYTYBTKF-LJQANCHMSA-N 1 1 364.493 3.390 20 30 FGEDMO C=CCN(Cc1cc(Br)ccc1F)C[C@H](O)C[N@H+](C)C1CC1 ZINC000572890278 506076589 /nfs/dbraw/zinc/07/65/89/506076589.db2.gz XKLGZVCRXSSICI-MRXNPFEDSA-N 1 1 371.294 3.031 20 30 FGEDMO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1C ZINC000298377974 498750300 /nfs/dbraw/zinc/75/03/00/498750300.db2.gz BXEJOMFYAVNOCN-OCCSQVGLSA-N 1 1 353.422 3.212 20 30 FGEDMO CCOC1(C)CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000298395008 498756987 /nfs/dbraw/zinc/75/69/87/498756987.db2.gz WGSXHEORCCZEFM-UHFFFAOYSA-N 1 1 357.498 3.441 20 30 FGEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000291049885 498773901 /nfs/dbraw/zinc/77/39/01/498773901.db2.gz QGMMUTLLTGSVFB-CRAIPNDOSA-N 1 1 352.486 3.003 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000291059837 498777295 /nfs/dbraw/zinc/77/72/95/498777295.db2.gz CYTHELILXJNUMM-HBMCJLEFSA-N 1 1 369.509 3.339 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c(C#N)c1C ZINC000291186405 498835340 /nfs/dbraw/zinc/83/53/40/498835340.db2.gz OTRFHVPPICFLCB-PTKHLAPESA-N 1 1 373.497 3.358 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c(C#N)c1C ZINC000291186405 498835345 /nfs/dbraw/zinc/83/53/45/498835345.db2.gz OTRFHVPPICFLCB-PTKHLAPESA-N 1 1 373.497 3.358 20 30 FGEDMO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000298720348 498860443 /nfs/dbraw/zinc/86/04/43/498860443.db2.gz DFGCXYVBIJOHKL-YCPHGPKFSA-N 1 1 352.438 3.022 20 30 FGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000298720348 498860450 /nfs/dbraw/zinc/86/04/50/498860450.db2.gz DFGCXYVBIJOHKL-YCPHGPKFSA-N 1 1 352.438 3.022 20 30 FGEDMO 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N#Cc1cccnc1N1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000372392591 499428019 /nfs/dbraw/zinc/42/80/19/499428019.db2.gz WZANVXDJCXGLRV-UHFFFAOYSA-N 1 1 358.449 3.056 20 30 FGEDMO Cc1[nH+]ccn1CCCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000369747635 499440374 /nfs/dbraw/zinc/44/03/74/499440374.db2.gz CYUUMDDPDFVQTF-OALUTQOASA-N 1 1 351.454 3.063 20 30 FGEDMO C=CCN1C(=O)/C(=C/c2nc3c(s2)C[N@@H+](C(C)C)CC3)SC1=S ZINC000373282893 499461385 /nfs/dbraw/zinc/46/13/85/499461385.db2.gz ZASLJICAXSFCEQ-WQLSENKSSA-N 1 1 365.549 3.297 20 30 FGEDMO Cc1csc(NC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)n1 ZINC000373488605 499472860 /nfs/dbraw/zinc/47/28/60/499472860.db2.gz DMLGTCIJHXGODV-UHFFFAOYSA-N 1 1 352.467 3.047 20 30 FGEDMO COc1ccc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1C#N ZINC000373487576 499472946 /nfs/dbraw/zinc/47/29/46/499472946.db2.gz WMQWFWIAJCMSDY-UHFFFAOYSA-N 1 1 367.415 3.462 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000373503856 499473723 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499565088 /nfs/dbraw/zinc/56/50/88/499565088.db2.gz VKVRWKWZERKJIP-LJQANCHMSA-N 1 1 351.410 3.328 20 30 FGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)COc1ccccc1C#N ZINC000398187753 499567215 /nfs/dbraw/zinc/56/72/15/499567215.db2.gz VSXKRBCNUYCPPX-FQEVSTJZSA-N 1 1 365.477 3.210 20 30 FGEDMO N#Cc1cc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1F ZINC000404133112 499569715 /nfs/dbraw/zinc/56/97/15/499569715.db2.gz DUOZYJVGZQEFHV-VXKWHMMOSA-N 1 1 365.452 3.173 20 30 FGEDMO N#Cc1c(F)cccc1N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000404146349 499569792 /nfs/dbraw/zinc/56/97/92/499569792.db2.gz LOBDIUTWIBIBDQ-LEWJYISDSA-N 1 1 351.425 3.177 20 30 FGEDMO N#Cc1ccc(F)c(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000404219366 499570163 /nfs/dbraw/zinc/57/01/63/499570163.db2.gz YYERGTSLILBJLI-VXKWHMMOSA-N 1 1 365.452 3.173 20 30 FGEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000408406073 499587114 /nfs/dbraw/zinc/58/71/14/499587114.db2.gz GPCZYBPZBRLNOW-IRXDYDNUSA-N 1 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ZINC000410347522 499656523 /nfs/dbraw/zinc/65/65/23/499656523.db2.gz OSJLVMWVLIEGQZ-LEWJYISDSA-N 1 1 355.526 3.150 20 30 FGEDMO C=CCN1CC[C@@H](N(CCC)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000410347522 499656524 /nfs/dbraw/zinc/65/65/24/499656524.db2.gz OSJLVMWVLIEGQZ-LEWJYISDSA-N 1 1 355.526 3.150 20 30 FGEDMO C=CCOc1c(Br)cc(C[NH2+]Cc2ccno2)cc1OC ZINC000579354715 506154864 /nfs/dbraw/zinc/15/48/64/506154864.db2.gz CSVWZWQXMQSCSM-UHFFFAOYSA-N 1 1 353.216 3.300 20 30 FGEDMO CCc1nccc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000377428647 499689717 /nfs/dbraw/zinc/68/97/17/499689717.db2.gz LIEGVQZHEUELBC-DOTOQJQBSA-N 1 1 363.465 3.117 20 30 FGEDMO CCc1nccc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000377428647 499689719 /nfs/dbraw/zinc/68/97/19/499689719.db2.gz LIEGVQZHEUELBC-DOTOQJQBSA-N 1 1 363.465 3.117 20 30 FGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000411193178 499709409 /nfs/dbraw/zinc/70/94/09/499709409.db2.gz NTFYBVYTZDFGDT-KRWDZBQOSA-N 1 1 365.452 3.433 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000411193178 499709410 /nfs/dbraw/zinc/70/94/10/499709410.db2.gz NTFYBVYTZDFGDT-KRWDZBQOSA-N 1 1 365.452 3.433 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3sccc3C#N)[C@H](C)C2)s1 ZINC000377780809 499732675 /nfs/dbraw/zinc/73/26/75/499732675.db2.gz CQXARDZCWCQNIO-IAQYHMDHSA-N 1 1 360.508 3.025 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[N@@H+](C)[C@@H](C)[C@@H]3C)sc2C1 ZINC000411429908 499739449 /nfs/dbraw/zinc/73/94/49/499739449.db2.gz NIOLJTKHHKZQGE-ILXRZTDVSA-N 1 1 374.554 3.098 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCN(C)[C@@H](C)[C@@H]3C)sc2C1 ZINC000411429908 499739450 /nfs/dbraw/zinc/73/94/50/499739450.db2.gz NIOLJTKHHKZQGE-ILXRZTDVSA-N 1 1 374.554 3.098 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCN(C)[C@@H](C)[C@@H]3C)sc2C1 ZINC000411429908 499739452 /nfs/dbraw/zinc/73/94/52/499739452.db2.gz NIOLJTKHHKZQGE-ILXRZTDVSA-N 1 1 374.554 3.098 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000411486442 499746655 /nfs/dbraw/zinc/74/66/55/499746655.db2.gz KUNYHCZLVBNZFS-VQIMIIECSA-N 1 1 354.450 3.339 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000411486442 499746657 /nfs/dbraw/zinc/74/66/57/499746657.db2.gz KUNYHCZLVBNZFS-VQIMIIECSA-N 1 1 354.450 3.339 20 30 FGEDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000378096676 499758774 /nfs/dbraw/zinc/75/87/74/499758774.db2.gz FVFQZCSSCZKQNK-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000378096676 499758775 /nfs/dbraw/zinc/75/87/75/499758775.db2.gz FVFQZCSSCZKQNK-MRXNPFEDSA-N 1 1 352.413 3.252 20 30 FGEDMO COc1ccc(C[N@@H+]2CCCc3c(cnn3C)C2)cc1OCCCC#N ZINC000414476697 499797120 /nfs/dbraw/zinc/79/71/20/499797120.db2.gz YBNOKIDJQMTRPV-UHFFFAOYSA-N 1 1 354.454 3.060 20 30 FGEDMO COc1ccc(C[N@H+]2CCCc3c(cnn3C)C2)cc1OCCCC#N ZINC000414476697 499797121 /nfs/dbraw/zinc/79/71/21/499797121.db2.gz YBNOKIDJQMTRPV-UHFFFAOYSA-N 1 1 354.454 3.060 20 30 FGEDMO N#Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000412002837 499811993 /nfs/dbraw/zinc/81/19/93/499811993.db2.gz NJWPQYMWBLOQHY-ACIOBRDBSA-N 1 1 373.500 3.343 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412089842 499822308 /nfs/dbraw/zinc/82/23/08/499822308.db2.gz PXXOPIWCHTYTSN-BZUAXINKSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412089842 499822309 /nfs/dbraw/zinc/82/23/09/499822309.db2.gz PXXOPIWCHTYTSN-BZUAXINKSA-N 1 1 361.511 3.112 20 30 FGEDMO Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)c(C#N)cc1[N+](=O)[O-] ZINC000413078583 499910657 /nfs/dbraw/zinc/91/06/57/499910657.db2.gz NONUNVQKSOMJPZ-UHFFFAOYSA-N 1 1 366.421 3.219 20 30 FGEDMO Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(C#N)cc1[N+](=O)[O-] ZINC000413247731 499931971 /nfs/dbraw/zinc/93/19/71/499931971.db2.gz VWVBSYNIYRWVRY-JXFKEZNVSA-N 1 1 365.437 3.299 20 30 FGEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000429260307 500035976 /nfs/dbraw/zinc/03/59/76/500035976.db2.gz BCHXADSOYZHRCM-MRXNPFEDSA-N 1 1 366.440 3.237 20 30 FGEDMO CC(C)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cc(C(F)(F)F)on1 ZINC000429270630 500038844 /nfs/dbraw/zinc/03/88/44/500038844.db2.gz IXZYYVGQGIPYNT-UHFFFAOYSA-N 1 1 366.343 3.419 20 30 FGEDMO CSC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000429277678 500040698 /nfs/dbraw/zinc/04/06/98/500040698.db2.gz VXPOJVMODIQUGT-DHADLLTHSA-N 1 1 351.560 3.381 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000425231207 500050864 /nfs/dbraw/zinc/05/08/64/500050864.db2.gz TWOHEISLRNVWHK-KRWDZBQOSA-N 1 1 350.422 3.443 20 30 FGEDMO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCCOc1cccc(C#N)c1 ZINC000429394520 500068413 /nfs/dbraw/zinc/06/84/13/500068413.db2.gz PVYHGPHTFSALIH-IAGOWNOFSA-N 1 1 357.498 3.294 20 30 FGEDMO C[N@@H+](CCNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000416687250 500086806 /nfs/dbraw/zinc/08/68/06/500086806.db2.gz OUNTXEDUYIGMAN-OAQYLSRUSA-N 1 1 362.477 3.367 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429496465 500088197 /nfs/dbraw/zinc/08/81/97/500088197.db2.gz YBDOZFBNFBLHRI-LPHOPBHVSA-N 1 1 356.514 3.260 20 30 FGEDMO C[N@H+]1CCC[C@@]2(CCN(CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000573342404 506176165 /nfs/dbraw/zinc/17/61/65/506176165.db2.gz LLVIAIAQEJOPDE-GOSISDBHSA-N 1 1 352.400 3.354 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000429716422 500129310 /nfs/dbraw/zinc/12/93/10/500129310.db2.gz AGFPGLLSYJURIU-CQSZACIVSA-N 1 1 368.319 3.216 20 30 FGEDMO C[C@@H](C#N)N(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1cccc(C(F)(F)F)c1 ZINC000425531115 500134354 /nfs/dbraw/zinc/13/43/54/500134354.db2.gz GRFBVESGWUKSIY-JCGIZDLHSA-N 1 1 367.415 3.283 20 30 FGEDMO C[C@@H](C#N)N(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1cccc(C(F)(F)F)c1 ZINC000425531115 500134357 /nfs/dbraw/zinc/13/43/57/500134357.db2.gz GRFBVESGWUKSIY-JCGIZDLHSA-N 1 1 367.415 3.283 20 30 FGEDMO CCOc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425534750 500135746 /nfs/dbraw/zinc/13/57/46/500135746.db2.gz GOLDPQXGNATBLO-LPHOPBHVSA-N 1 1 354.450 3.390 20 30 FGEDMO COc1ccc(COC[C@H](O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425539295 500137964 /nfs/dbraw/zinc/13/79/64/500137964.db2.gz TZCGWYXHUKOUKH-OXQOHEQNSA-N 1 1 354.450 3.137 20 30 FGEDMO COc1ccc(OC)c(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425541827 500139002 /nfs/dbraw/zinc/13/90/02/500139002.db2.gz XJDUAWUHOPVVTE-CQSZACIVSA-N 1 1 353.422 3.207 20 30 FGEDMO COc1ccc(OC)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425541827 500139005 /nfs/dbraw/zinc/13/90/05/500139005.db2.gz XJDUAWUHOPVVTE-CQSZACIVSA-N 1 1 353.422 3.207 20 30 FGEDMO COc1ccc(C[C@H](C)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1F ZINC000430177036 500204638 /nfs/dbraw/zinc/20/46/38/500204638.db2.gz LIAKQEVIBUBOHR-YJBOKZPZSA-N 1 1 369.440 3.433 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000425853764 500205366 /nfs/dbraw/zinc/20/53/66/500205366.db2.gz JHBKOOODBXCDHD-HZEGPAAWSA-N 1 1 371.525 3.272 20 30 FGEDMO CCOc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OC ZINC000430179415 500205329 /nfs/dbraw/zinc/20/53/29/500205329.db2.gz QMJSDNQHUHEOLM-QGZVFWFLSA-N 1 1 353.422 3.014 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)cc1OC ZINC000425971152 500219125 /nfs/dbraw/zinc/21/91/25/500219125.db2.gz MVUSZNPEJMCXJJ-JSGCOSHPSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)cc1OC ZINC000425971152 500219127 /nfs/dbraw/zinc/21/91/27/500219127.db2.gz MVUSZNPEJMCXJJ-JSGCOSHPSA-N 1 1 370.287 3.225 20 30 FGEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000426129009 500239149 /nfs/dbraw/zinc/23/91/49/500239149.db2.gz PSUJJIPYRMCFAS-STQMWFEESA-N 1 1 364.877 3.221 20 30 FGEDMO N#CCCC[C@H](NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1ccccc1 ZINC000418206763 500249372 /nfs/dbraw/zinc/24/93/72/500249372.db2.gz ATGHSKGRVPPTGM-PMACEKPBSA-N 1 1 363.465 3.173 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000426366329 500264889 /nfs/dbraw/zinc/26/48/89/500264889.db2.gz QHBPRSKWXIIJSV-PMACEKPBSA-N 1 1 357.498 3.028 20 30 FGEDMO O=C(C[N@H+]1CC[C@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426461819 500274954 /nfs/dbraw/zinc/27/49/54/500274954.db2.gz PNGAXBXJGSLVTG-WBVHZDCISA-N 1 1 350.384 3.048 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+](CCc3ccccn3)Cc3cccnc3)n2c1 ZINC000430869738 500298838 /nfs/dbraw/zinc/29/88/38/500298838.db2.gz YMHIVUHVYXWSDH-UHFFFAOYSA-N 1 1 368.444 3.241 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+](CCc3ccccn3)Cc3cccnc3)n2c1 ZINC000430869738 500298840 /nfs/dbraw/zinc/29/88/40/500298840.db2.gz YMHIVUHVYXWSDH-UHFFFAOYSA-N 1 1 368.444 3.241 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000419656872 500388411 /nfs/dbraw/zinc/38/84/11/500388411.db2.gz ZXQCFZYLIPOMQF-XPGWFJOJSA-N 1 1 354.498 3.307 20 30 FGEDMO C[C@@H]1C[N@H+](C2CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)CCO1 ZINC000428098844 500468548 /nfs/dbraw/zinc/46/85/48/500468548.db2.gz XVKNDTVGVFLMNE-MRXNPFEDSA-N 1 1 368.525 3.257 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424298273 500483075 /nfs/dbraw/zinc/48/30/75/500483075.db2.gz UGMLSTJKZKDWKB-MRXNPFEDSA-N 1 1 359.539 3.367 20 30 FGEDMO C[C@@]1(CNC(=O)CNc2ccc(C#N)cc2)CCC[N@H+]1Cc1ccccc1 ZINC000428327735 500495953 /nfs/dbraw/zinc/49/59/53/500495953.db2.gz UUPGYCPTUXLENV-QFIPXVFZSA-N 1 1 362.477 3.141 20 30 FGEDMO N#Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000420823278 500510028 /nfs/dbraw/zinc/51/00/28/500510028.db2.gz PIEJSOGSPCHLBG-MRXNPFEDSA-N 1 1 354.479 3.084 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccc(C#N)s1)C1CC1 ZINC000420831720 500511638 /nfs/dbraw/zinc/51/16/38/500511638.db2.gz JMWMIKHWLPWART-IBGZPJMESA-N 1 1 368.506 3.330 20 30 FGEDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000428484367 500516055 /nfs/dbraw/zinc/51/60/55/500516055.db2.gz PYPGIBWAKIDJBA-SECBINFHSA-N 1 1 372.284 3.345 20 30 FGEDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000428484367 500516056 /nfs/dbraw/zinc/51/60/56/500516056.db2.gz PYPGIBWAKIDJBA-SECBINFHSA-N 1 1 372.284 3.345 20 30 FGEDMO C=CCCn1cc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)nn1 ZINC000424589711 500522970 /nfs/dbraw/zinc/52/29/70/500522970.db2.gz XSOMSBUHADPROY-GOSISDBHSA-N 1 1 373.888 3.075 20 30 FGEDMO N#Cc1cc2c(nc1NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)CCC2 ZINC000428660032 500539150 /nfs/dbraw/zinc/53/91/50/500539150.db2.gz YYURLTRZTFGXMO-LJQANCHMSA-N 1 1 364.518 3.471 20 30 FGEDMO Cc1nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Br ZINC000570599463 506202670 /nfs/dbraw/zinc/20/26/70/506202670.db2.gz IJJLXNUDRUBRMT-UHFFFAOYSA-N 1 1 371.282 3.346 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@@H]1C ZINC000428799659 500559095 /nfs/dbraw/zinc/55/90/95/500559095.db2.gz KIYLOTGKKNKLGG-DLBZAZTESA-N 1 1 365.481 3.018 20 30 FGEDMO C=CCC1(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000424765877 500559310 /nfs/dbraw/zinc/55/93/10/500559310.db2.gz DIHXXRNYJDPMQI-HXUWFJFHSA-N 1 1 356.510 3.386 20 30 FGEDMO COCCOc1ccccc1N1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000442672884 500610233 /nfs/dbraw/zinc/61/02/33/500610233.db2.gz PJCUYUOUHCNQQG-GOSISDBHSA-N 1 1 365.477 3.467 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H](O)Cc1ccccc1 ZINC000433066432 500618114 /nfs/dbraw/zinc/61/81/14/500618114.db2.gz JJDPOIAGGQGBDV-GOSISDBHSA-N 1 1 371.868 3.076 20 30 FGEDMO CC(C)[C@H](CNC(=O)c1ccc(C#N)c(O)c1)[N@@H+]1CCc2ccccc2C1 ZINC000442850609 500635236 /nfs/dbraw/zinc/63/52/36/500635236.db2.gz JDDYIHKRUKMCCM-FQEVSTJZSA-N 1 1 363.461 3.077 20 30 FGEDMO CC(C)[C@H](CNC(=O)c1ccc(C#N)c(O)c1)[N@H+]1CCc2ccccc2C1 ZINC000442850609 500635239 /nfs/dbraw/zinc/63/52/39/500635239.db2.gz JDDYIHKRUKMCCM-FQEVSTJZSA-N 1 1 363.461 3.077 20 30 FGEDMO OCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCCSC1 ZINC000433192242 500643296 /nfs/dbraw/zinc/64/32/96/500643296.db2.gz YKJRRQBIMGOCJU-HNNXBMFYSA-N 1 1 359.413 3.127 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000437465623 500647023 /nfs/dbraw/zinc/64/70/23/500647023.db2.gz FADWWETUVLOOKP-HOJAQTOUSA-N 1 1 360.473 3.278 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000437465623 500647027 /nfs/dbraw/zinc/64/70/27/500647027.db2.gz FADWWETUVLOOKP-HOJAQTOUSA-N 1 1 360.473 3.278 20 30 FGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000443335024 500711211 /nfs/dbraw/zinc/71/12/11/500711211.db2.gz ULKWEWNRGAGHPK-RKVPGOIHSA-N 1 1 363.889 3.068 20 30 FGEDMO N#Cc1ccc(CN2CC[NH+](Cc3cccc(O)c3)CC2)c(OC(F)F)c1 ZINC000437896038 500713453 /nfs/dbraw/zinc/71/34/53/500713453.db2.gz NUYXPSWXXLUXCG-UHFFFAOYSA-N 1 1 373.403 3.183 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000438063451 500733063 /nfs/dbraw/zinc/73/30/63/500733063.db2.gz CDCPFNOSINRMSR-GIVPXCGWSA-N 1 1 371.525 3.274 20 30 FGEDMO Cc1cc(C[NH2+]CCCN2CCN(C)C[C@H]2c2ccccc2)ccc1C#N ZINC000443982355 500786640 /nfs/dbraw/zinc/78/66/40/500786640.db2.gz QCMQUJWVOIMOAI-QHCPKHFHSA-N 1 1 362.521 3.335 20 30 FGEDMO COCCO[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000438556049 500801091 /nfs/dbraw/zinc/80/10/91/500801091.db2.gz UWCYIURKXBAJLG-JOCHJYFZSA-N 1 1 366.461 3.375 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000448703372 500808467 /nfs/dbraw/zinc/80/84/67/500808467.db2.gz AEILVOAPUDMITR-OAHLLOKOSA-N 1 1 350.466 3.357 20 30 FGEDMO COc1cc2c(c(OC)c1OC)CC[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000438627237 500809354 /nfs/dbraw/zinc/80/93/54/500809354.db2.gz LWTITLYJAQFESY-UHFFFAOYSA-N 1 1 369.436 3.304 20 30 FGEDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000438627237 500809355 /nfs/dbraw/zinc/80/93/55/500809355.db2.gz LWTITLYJAQFESY-UHFFFAOYSA-N 1 1 369.436 3.304 20 30 FGEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)CCOCC ZINC000444594772 500863440 /nfs/dbraw/zinc/86/34/40/500863440.db2.gz HYSQMSFXKKMLLD-OAHLLOKOSA-N 1 1 360.267 3.364 20 30 FGEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)CCOCC ZINC000444594772 500863441 /nfs/dbraw/zinc/86/34/41/500863441.db2.gz HYSQMSFXKKMLLD-OAHLLOKOSA-N 1 1 360.267 3.364 20 30 FGEDMO CCOCC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000444640854 500872449 /nfs/dbraw/zinc/87/24/49/500872449.db2.gz QABGQNBMQJEIGV-NRFANRHFSA-N 1 1 356.441 3.487 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCSC(C)(C)CC2)c(OC)c1 ZINC000434685328 500879350 /nfs/dbraw/zinc/87/93/50/500879350.db2.gz NTWWWRWSXZETOP-QGZVFWFLSA-N 1 1 365.539 3.381 20 30 FGEDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439426808 500895588 /nfs/dbraw/zinc/89/55/88/500895588.db2.gz CDFWEBPEMCVMIM-GFCCVEGCSA-N 1 1 363.870 3.052 20 30 FGEDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439426808 500895590 /nfs/dbraw/zinc/89/55/90/500895590.db2.gz CDFWEBPEMCVMIM-GFCCVEGCSA-N 1 1 363.870 3.052 20 30 FGEDMO C=CC[C@H]1[N@@H+](CC(=O)NCc2cccc(OCCOC)c2)CCCC1(C)C ZINC000444783123 500899651 /nfs/dbraw/zinc/89/96/51/500899651.db2.gz JUVWQFFXQBMZKO-HXUWFJFHSA-N 1 1 374.525 3.395 20 30 FGEDMO C=CC[C@H]1[N@@H+](CC(=O)NCc2ccc(OC)c(OC)c2)CCCC1(C)C ZINC000444784262 500900470 /nfs/dbraw/zinc/90/04/70/500900470.db2.gz NDOSRZZDVXTWKA-LJQANCHMSA-N 1 1 360.498 3.387 20 30 FGEDMO C=CC[C@H](CC)NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000439501301 500906817 /nfs/dbraw/zinc/90/68/17/500906817.db2.gz NZPKRRQXBQZEQO-SFHVURJKSA-N 1 1 370.497 3.450 20 30 FGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)n1C ZINC000434939621 500913948 /nfs/dbraw/zinc/91/39/48/500913948.db2.gz UBIVJFXJBAUAIH-UHFFFAOYSA-N 1 1 360.461 3.463 20 30 FGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2c(=O)n1C ZINC000434939621 500913951 /nfs/dbraw/zinc/91/39/51/500913951.db2.gz UBIVJFXJBAUAIH-UHFFFAOYSA-N 1 1 360.461 3.463 20 30 FGEDMO C=CCOCCCC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000439796674 500940363 /nfs/dbraw/zinc/94/03/63/500940363.db2.gz YLYIJQUZKHVDHD-GHTZIAJQSA-N 1 1 373.541 3.432 20 30 FGEDMO C=CCOCCCC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000439796674 500940366 /nfs/dbraw/zinc/94/03/66/500940366.db2.gz YLYIJQUZKHVDHD-GHTZIAJQSA-N 1 1 373.541 3.432 20 30 FGEDMO CCOC(=O)CC[N@H+](Cc1ccc(Br)cc1C#N)CC1CC1 ZINC000588199194 506229224 /nfs/dbraw/zinc/22/92/24/506229224.db2.gz MRPYCTNQIKACET-UHFFFAOYSA-N 1 1 365.271 3.486 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000449476612 501012429 /nfs/dbraw/zinc/01/24/29/501012429.db2.gz VQQXAOIKBSNBSM-HXUWFJFHSA-N 1 1 358.388 3.339 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(-c2ccccc2)n1 ZINC000449550355 501030421 /nfs/dbraw/zinc/03/04/21/501030421.db2.gz CTGAQZIWIMSFIT-DYXWJJEUSA-N 1 1 364.493 3.447 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)ccc1OC ZINC000449673766 501057835 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FGEDMO Cn1ncc(C#N)c1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000596062837 506234469 /nfs/dbraw/zinc/23/44/69/506234469.db2.gz MUANQTQHZRPMNX-UHFFFAOYSA-N 1 1 363.387 3.023 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441275026 501111942 /nfs/dbraw/zinc/11/19/42/501111942.db2.gz IGYUBJXSHPXRKH-BZSNNMDCSA-N 1 1 362.539 3.400 20 30 FGEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450417562 501116638 /nfs/dbraw/zinc/11/66/38/501116638.db2.gz JVXYMZHXXRJOKS-AWEZNQCLSA-N 1 1 354.385 3.489 20 30 FGEDMO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000441440933 501139997 /nfs/dbraw/zinc/13/99/97/501139997.db2.gz AKTGAYZRGIMYKW-JUXOCIIHSA-N 1 1 366.461 3.068 20 30 FGEDMO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000441440933 501139999 /nfs/dbraw/zinc/13/99/99/501139999.db2.gz AKTGAYZRGIMYKW-JUXOCIIHSA-N 1 1 366.461 3.068 20 30 FGEDMO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000450200785 501209000 /nfs/dbraw/zinc/20/90/00/501209000.db2.gz JXRDTBOAENRHJA-MWTRTKDXSA-N 1 1 357.457 3.450 20 30 FGEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000451134598 501247493 /nfs/dbraw/zinc/24/74/93/501247493.db2.gz JBOHKUJNPNCGNT-XNISGKROSA-N 1 1 356.388 3.349 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451157819 501248845 /nfs/dbraw/zinc/24/88/45/501248845.db2.gz IMEYKTNWBVNHCG-UHFFFAOYSA-N 1 1 372.472 3.368 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451157819 501248846 /nfs/dbraw/zinc/24/88/46/501248846.db2.gz IMEYKTNWBVNHCG-UHFFFAOYSA-N 1 1 372.472 3.368 20 30 FGEDMO CS[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000451328489 501267061 /nfs/dbraw/zinc/26/70/61/501267061.db2.gz VJZDESSFMXYLPG-KRWDZBQOSA-N 1 1 368.506 3.342 20 30 FGEDMO CS[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000451328489 501267063 /nfs/dbraw/zinc/26/70/63/501267063.db2.gz VJZDESSFMXYLPG-KRWDZBQOSA-N 1 1 368.506 3.342 20 30 FGEDMO N#Cc1cccc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1 ZINC000602646444 506243695 /nfs/dbraw/zinc/24/36/95/506243695.db2.gz YHMOWOJTJRMJRG-OAHLLOKOSA-N 1 1 355.747 3.449 20 30 FGEDMO C=CCC[C@@H](CO)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000457661512 501280863 /nfs/dbraw/zinc/28/08/63/501280863.db2.gz STFYQCMTBAAXCZ-PXNSSMCTSA-N 1 1 359.514 3.187 20 30 FGEDMO COc1ccccc1-c1noc([C@H](C)[NH2+][C@@H](C)CC2(C#N)CCOCC2)n1 ZINC000602649605 506246259 /nfs/dbraw/zinc/24/62/59/506246259.db2.gz XSWQNUJJLWAJPT-GJZGRUSLSA-N 1 1 370.453 3.495 20 30 FGEDMO C=CCn1c(CCc2ccco2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453423242 501328444 /nfs/dbraw/zinc/32/84/44/501328444.db2.gz COCPBQJIGDJQFF-QGZVFWFLSA-N 1 1 369.513 3.153 20 30 FGEDMO C=CCn1c(CCc2ccco2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453424399 501328786 /nfs/dbraw/zinc/32/87/86/501328786.db2.gz JEFHDQPELKSSAV-YQVWRLOYSA-N 1 1 369.513 3.009 20 30 FGEDMO Cn1nc2c(c1C[NH+]1CCC(Oc3ccc(C#N)cc3F)CC1)CCCC2 ZINC000602653656 506247242 /nfs/dbraw/zinc/24/72/42/506247242.db2.gz ISYNOPMEXQKCIG-UHFFFAOYSA-N 1 1 368.456 3.353 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000451646096 501343255 /nfs/dbraw/zinc/34/32/55/501343255.db2.gz HJVHFZMAYBZWEO-IBGZPJMESA-N 1 1 373.522 3.159 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000451646096 501343257 /nfs/dbraw/zinc/34/32/57/501343257.db2.gz HJVHFZMAYBZWEO-IBGZPJMESA-N 1 1 373.522 3.159 20 30 FGEDMO C[N@@H+](CCCCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000455625027 501349886 /nfs/dbraw/zinc/34/98/86/501349886.db2.gz XJRCJFRYKSDCNK-PMACEKPBSA-N 1 1 354.498 3.342 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451806717 501376214 /nfs/dbraw/zinc/37/62/14/501376214.db2.gz FNXVXLAYHWSZJW-HZPDHXFCSA-N 1 1 350.528 3.134 20 30 FGEDMO C[C@@H](CNC(=O)N1CCc2c(CC#N)cccc2C1)[N@H+]1CCCC[C@@H]1C ZINC000598964918 506249645 /nfs/dbraw/zinc/24/96/45/506249645.db2.gz SNUXIMMBGIMDIN-IRXDYDNUSA-N 1 1 354.498 3.083 20 30 FGEDMO Cc1cc(C#N)cc(NC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000455983001 501431593 /nfs/dbraw/zinc/43/15/93/501431593.db2.gz IIGUZMISQXAUAR-UHFFFAOYSA-N 1 1 364.453 3.064 20 30 FGEDMO C=CCC1(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CCCC1 ZINC000456483356 501535000 /nfs/dbraw/zinc/53/50/00/501535000.db2.gz GZURQZJJYDJHAK-HXUWFJFHSA-N 1 1 356.510 3.437 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000454725087 501616017 /nfs/dbraw/zinc/61/60/17/501616017.db2.gz CVUGFZAHBNTXMS-RUGDWHBFSA-N 1 1 360.889 3.467 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000454725087 501616019 /nfs/dbraw/zinc/61/60/19/501616019.db2.gz CVUGFZAHBNTXMS-RUGDWHBFSA-N 1 1 360.889 3.467 20 30 FGEDMO C=CC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000454765681 501625031 /nfs/dbraw/zinc/62/50/31/501625031.db2.gz GGHZKSZWWYGWSJ-OALUTQOASA-N 1 1 357.498 3.484 20 30 FGEDMO C[N@@H+](CCCCNC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1CC1 ZINC000454774954 501627513 /nfs/dbraw/zinc/62/75/13/501627513.db2.gz QCCIJODLVIPNIF-UHFFFAOYSA-N 1 1 362.477 3.477 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000457006344 501634159 /nfs/dbraw/zinc/63/41/59/501634159.db2.gz ZVGRCNVECOMWDF-SFHVURJKSA-N 1 1 352.434 3.047 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+]C(C)(C)CN(C)C)c1C#N ZINC000459546899 501674214 /nfs/dbraw/zinc/67/42/14/501674214.db2.gz IZLDBURRZYQDAY-UHFFFAOYSA-N 1 1 373.545 3.350 20 30 FGEDMO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000459662973 501694732 /nfs/dbraw/zinc/69/47/32/501694732.db2.gz VYEWQMNAHFSLBU-GFCCVEGCSA-N 1 1 368.275 3.087 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000459803204 501716325 /nfs/dbraw/zinc/71/63/25/501716325.db2.gz YZQHYZAZVFGKCS-SJORKVTESA-N 1 1 353.470 3.023 20 30 FGEDMO C[C@@H](NC(=O)NCC#Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485162854 501743609 /nfs/dbraw/zinc/74/36/09/501743609.db2.gz SCXPQCUHOBZRNI-DENIHFKCSA-N 1 1 361.489 3.248 20 30 FGEDMO Cc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596130039 506271781 /nfs/dbraw/zinc/27/17/81/506271781.db2.gz USMALQQKOIULHZ-OAHLLOKOSA-N 1 1 351.410 3.053 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)n1 ZINC000602720418 506273068 /nfs/dbraw/zinc/27/30/68/506273068.db2.gz GEKRJPOJGKDDAB-UHFFFAOYSA-N 1 1 351.454 3.449 20 30 FGEDMO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460390476 501812368 /nfs/dbraw/zinc/81/23/68/501812368.db2.gz WKYLMTHTIOSVDK-IBGZPJMESA-N 1 1 367.497 3.062 20 30 FGEDMO C=C(C)C[N@@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)Cc1ccccc1 ZINC000470918627 501855543 /nfs/dbraw/zinc/85/55/43/501855543.db2.gz NQUJANJLACRCDE-UHFFFAOYSA-N 1 1 365.477 3.453 20 30 FGEDMO C=C(C)C[N@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)Cc1ccccc1 ZINC000470918627 501855550 /nfs/dbraw/zinc/85/55/50/501855550.db2.gz NQUJANJLACRCDE-UHFFFAOYSA-N 1 1 365.477 3.453 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000478032931 501859312 /nfs/dbraw/zinc/85/93/12/501859312.db2.gz YTANUBGYJDALBV-MSOLQXFVSA-N 1 1 363.571 3.315 20 30 FGEDMO Cc1ccc(-c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)n[nH]2)cc1C ZINC000467807942 501881293 /nfs/dbraw/zinc/88/12/93/501881293.db2.gz DWMCKLAREHLBFO-UHFFFAOYSA-N 1 1 353.470 3.001 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000464151836 501909469 /nfs/dbraw/zinc/90/94/69/501909469.db2.gz KXBJBOAVLGGEMX-ZOCZFRKYSA-N 1 1 357.498 3.354 20 30 FGEDMO C=CC1CCN(C(=O)C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000478227887 501915654 /nfs/dbraw/zinc/91/56/54/501915654.db2.gz KVJBLIVQVOKXGZ-KRWDZBQOSA-N 1 1 369.509 3.282 20 30 FGEDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000468110249 501959701 /nfs/dbraw/zinc/95/97/01/501959701.db2.gz NVJDCRONLMNLIG-CZUORRHYSA-N 1 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C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCOCc1ccccc1 ZINC000464849691 502119762 /nfs/dbraw/zinc/11/97/62/502119762.db2.gz LAQJJALXDRUOMY-IBGZPJMESA-N 1 1 365.477 3.470 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCOCc1ccccc1 ZINC000464849691 502119767 /nfs/dbraw/zinc/11/97/67/502119767.db2.gz LAQJJALXDRUOMY-IBGZPJMESA-N 1 1 365.477 3.470 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1COc2ccccc2O1 ZINC000482638300 502135551 /nfs/dbraw/zinc/13/55/51/502135551.db2.gz ZYNWRAQDJFBSQJ-OAHLLOKOSA-N 1 1 360.360 3.431 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1COc2ccccc2O1 ZINC000482638300 502135557 /nfs/dbraw/zinc/13/55/57/502135557.db2.gz ZYNWRAQDJFBSQJ-OAHLLOKOSA-N 1 1 360.360 3.431 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000475402872 502161622 /nfs/dbraw/zinc/16/16/22/502161622.db2.gz GPELIXIJZQYLHW-RBUKOAKNSA-N 1 1 369.509 3.220 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](Nc2cc(C#N)cnn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000596182709 506298020 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SHFFYJGMRRJDIY-SFHVURJKSA-N 1 1 352.438 3.435 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000483773757 502488739 /nfs/dbraw/zinc/48/87/39/502488739.db2.gz IOGISJLOJUXPLZ-UHFFFAOYSA-N 1 1 371.456 3.322 20 30 FGEDMO CC[N@H+](CCC1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1)CC(C)C ZINC000469760338 502535165 /nfs/dbraw/zinc/53/51/65/502535165.db2.gz JLINIKODYLPPNI-SFHVURJKSA-N 1 1 362.562 3.017 20 30 FGEDMO CC[N@@H+](CCC1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1)CC(C)C ZINC000469760338 502535172 /nfs/dbraw/zinc/53/51/72/502535172.db2.gz JLINIKODYLPPNI-SFHVURJKSA-N 1 1 362.562 3.017 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000488005793 502597358 /nfs/dbraw/zinc/59/73/58/502597358.db2.gz DCZFUFCVUZHPDC-TZIWHRDSSA-N 1 1 370.541 3.211 20 30 FGEDMO C=CCCN(C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000466581993 502615965 /nfs/dbraw/zinc/61/59/65/502615965.db2.gz SMEZBONWOLTUDW-UHFFFAOYSA-N 1 1 356.470 3.013 20 30 FGEDMO COCCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000488156640 502642666 /nfs/dbraw/zinc/64/26/66/502642666.db2.gz AZZAUYBKYDZXIH-UHFFFAOYSA-N 1 1 365.477 3.214 20 30 FGEDMO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)NCC)c1)CC1CCCCC1 ZINC000484575784 502674137 /nfs/dbraw/zinc/67/41/37/502674137.db2.gz WJVFISRONPMQNI-UHFFFAOYSA-N 1 1 357.498 3.443 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3cncc(C(F)(F)F)c3)CC2)cc1 ZINC000463075168 502685440 /nfs/dbraw/zinc/68/54/40/502685440.db2.gz YEANYXKRDDGDHV-UHFFFAOYSA-N 1 1 360.383 3.290 20 30 FGEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000470169984 502691751 /nfs/dbraw/zinc/69/17/51/502691751.db2.gz MWJVFTOESVTQAV-LFIBNONCSA-N 1 1 363.421 3.087 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCc1cccc(C#N)c1 ZINC000466824557 502695967 /nfs/dbraw/zinc/69/59/67/502695967.db2.gz SBXDSGWPSKYLRG-UHFFFAOYSA-N 1 1 364.493 3.311 20 30 FGEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C#N)nc2)cc1Br ZINC000467015791 502758996 /nfs/dbraw/zinc/75/89/96/502758996.db2.gz IWMFCSMKMNOTEX-UHFFFAOYSA-N 1 1 359.227 3.030 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c(OC(F)F)c1 ZINC000463376390 502775563 /nfs/dbraw/zinc/77/55/63/502775563.db2.gz JXTSUFZRWFXOGZ-HXUWFJFHSA-N 1 1 358.388 3.296 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)CC(C)(C)C ZINC000463376895 502776386 /nfs/dbraw/zinc/77/63/86/502776386.db2.gz SNPOSDZJMYBVQP-UHFFFAOYSA-N 1 1 362.518 3.320 20 30 FGEDMO C=CCC[C@@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)c1ccccc1 ZINC000470476093 502788778 /nfs/dbraw/zinc/78/87/78/502788778.db2.gz XDVUZXISVYFJJO-WIYYLYMNSA-N 1 1 356.510 3.448 20 30 FGEDMO COCC[N@@H+](C)CC[C@H](NC(=O)C1(C#N)CCCCC1)c1ccccc1 ZINC000505040300 502844096 /nfs/dbraw/zinc/84/40/96/502844096.db2.gz HKYMSDBKMROKDO-IBGZPJMESA-N 1 1 357.498 3.286 20 30 FGEDMO C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)C[C@H](C)[N@H+]1C ZINC000513095600 502850406 /nfs/dbraw/zinc/85/04/06/502850406.db2.gz KUOIXBZXDKHMCW-CALCHBBNSA-N 1 1 363.461 3.302 20 30 FGEDMO 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C=C(Br)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175454492 705547828 /nfs/dbraw/zinc/54/78/28/705547828.db2.gz UKYMPINKORSAIS-HOCLYGCPSA-N 1 1 366.303 3.247 20 30 FGEDMO C=C(Br)CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175957520 705565352 /nfs/dbraw/zinc/56/53/52/705565352.db2.gz ZVVWRWANTGDQOT-INIZCTEOSA-N 1 1 366.303 3.059 20 30 FGEDMO C#CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000185568087 712696734 /nfs/dbraw/zinc/69/67/34/712696734.db2.gz HOZHGRXNQNCOQG-INIZCTEOSA-N 1 1 352.400 3.445 20 30 FGEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000190648513 712818977 /nfs/dbraw/zinc/81/89/77/712818977.db2.gz SJUIMQRYOHZIMI-INIZCTEOSA-N 1 1 352.400 3.294 20 30 FGEDMO C[C@@H](NC(=O)CO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2)c1cccs1 ZINC000192458706 712863051 /nfs/dbraw/zinc/86/30/51/712863051.db2.gz AJSDAAFZPUSIAG-XUXNNNHQSA-N 1 1 361.511 3.431 20 30 FGEDMO CS[C@@H]1CCCC[N@@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000328624178 713825238 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20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000375014492 713960766 /nfs/dbraw/zinc/96/07/66/713960766.db2.gz TXSFCJQRUYPDJG-GJZGRUSLSA-N 1 1 361.873 3.289 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H]1c1cccc(Cl)c1 ZINC000375036072 713962306 /nfs/dbraw/zinc/96/23/06/713962306.db2.gz GRBDKBHORIZLJP-KBXCAEBGSA-N 1 1 356.857 3.353 20 30 FGEDMO C=CCOc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000642149083 717954525 /nfs/dbraw/zinc/95/45/25/717954525.db2.gz BXCFBJSXPJXWJD-OAHLLOKOSA-N 1 1 356.491 3.490 20 30 FGEDMO C=CCOc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000642149083 717954527 /nfs/dbraw/zinc/95/45/27/717954527.db2.gz BXCFBJSXPJXWJD-OAHLLOKOSA-N 1 1 356.491 3.490 20 30 FGEDMO CCn1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000616785530 714598558 /nfs/dbraw/zinc/59/85/58/714598558.db2.gz ZTVKVCNAQGAVIA-ZDUSSCGKSA-N 1 1 356.495 3.389 20 30 FGEDMO CCn1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000616785530 714598561 /nfs/dbraw/zinc/59/85/61/714598561.db2.gz ZTVKVCNAQGAVIA-ZDUSSCGKSA-N 1 1 356.495 3.389 20 30 FGEDMO C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000617891609 714699278 /nfs/dbraw/zinc/69/92/78/714699278.db2.gz YMCKUQHGSBMWIW-MRXNPFEDSA-N 1 1 362.832 3.417 20 30 FGEDMO C=C[C@@H](NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C(=O)OC ZINC000619703138 714863087 /nfs/dbraw/zinc/86/30/87/714863087.db2.gz FYDFMPHZVFIQLQ-MRXNPFEDSA-N 1 1 357.281 3.275 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H]([NH2+]CCSCc2ccccc2)C1 ZINC000779384745 724410778 /nfs/dbraw/zinc/41/07/78/724410778.db2.gz NIFRTQWIQMODSO-DLBZAZTESA-N 1 1 361.511 3.268 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@H](C)CN2CCOCC2)cc1OC ZINC000628254002 716130982 /nfs/dbraw/zinc/13/09/82/716130982.db2.gz HTWBLAKRQCARER-OAHLLOKOSA-N 1 1 368.905 3.066 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000799116662 723988852 /nfs/dbraw/zinc/98/88/52/723988852.db2.gz NYAKEVYDZDFHDT-MRXNPFEDSA-N 1 1 351.491 3.076 20 30 FGEDMO C=CCSc1ccccc1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000640522789 717758470 /nfs/dbraw/zinc/75/84/70/717758470.db2.gz VTCYWPVNTHDENB-MSOLQXFVSA-N 1 1 360.523 3.194 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 ZINC000651551744 718829922 /nfs/dbraw/zinc/82/99/22/718829922.db2.gz MPRAAJDOFHLEPK-UHFFFAOYSA-N 1 1 369.339 3.125 20 30 FGEDMO C=CCCn1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nn1 ZINC000653665016 719072638 /nfs/dbraw/zinc/07/26/38/719072638.db2.gz KJYVRBZUNIJICH-KRWDZBQOSA-N 1 1 359.543 3.178 20 30 FGEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(C#N)cc1Cl)CC2 ZINC001164647835 719307572 /nfs/dbraw/zinc/30/75/72/719307572.db2.gz NTUMFIVCXNWYEW-UHFFFAOYSA-N 1 1 358.877 3.008 20 30 FGEDMO C=CCOCCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000661792626 720320062 /nfs/dbraw/zinc/32/00/62/720320062.db2.gz HRLSZLBZDKJFNL-WBVHZDCISA-N 1 1 351.516 3.023 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3[nH]c(C#N)cc3n1)[C@@H]2C ZINC001164864216 720996318 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C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679681397 722040765 /nfs/dbraw/zinc/04/07/65/722040765.db2.gz GIUULFXVMWWZMW-UONOGXRCSA-N 1 1 358.454 3.355 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679681397 722040767 /nfs/dbraw/zinc/04/07/67/722040767.db2.gz GIUULFXVMWWZMW-UONOGXRCSA-N 1 1 358.454 3.355 20 30 FGEDMO C=CCOC[C@@H]1CCC[C@@]12CN(c1ccc(C[N@H+](C)C3CC3)cn1)CCO2 ZINC001164981043 722169679 /nfs/dbraw/zinc/16/96/79/722169679.db2.gz ZWEUQWLILLEGJJ-SIKLNZKXSA-N 1 1 371.525 3.254 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000730095446 722465241 /nfs/dbraw/zinc/46/52/41/722465241.db2.gz CMNDAYVIGADRGJ-KRWDZBQOSA-N 1 1 353.491 3.100 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000730095446 722465242 /nfs/dbraw/zinc/46/52/42/722465242.db2.gz CMNDAYVIGADRGJ-KRWDZBQOSA-N 1 1 353.491 3.100 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000730285046 722466780 /nfs/dbraw/zinc/46/67/80/722466780.db2.gz GCPCWNHQKPYHEB-HNNXBMFYSA-N 1 1 353.293 3.485 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000730285046 722466781 /nfs/dbraw/zinc/46/67/81/722466781.db2.gz GCPCWNHQKPYHEB-HNNXBMFYSA-N 1 1 353.293 3.485 20 30 FGEDMO C[C@@H]1CC(=NNC(=S)NCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000734296192 722505860 /nfs/dbraw/zinc/50/58/60/722505860.db2.gz OETRQXVBFDWDMF-GFCCVEGCSA-N 1 1 358.433 3.053 20 30 FGEDMO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309581 722514919 /nfs/dbraw/zinc/51/49/19/722514919.db2.gz JAZPYOXDSDWGIR-HNNXBMFYSA-N 1 1 363.889 3.371 20 30 FGEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309581 722514920 /nfs/dbraw/zinc/51/49/20/722514920.db2.gz JAZPYOXDSDWGIR-HNNXBMFYSA-N 1 1 363.889 3.371 20 30 FGEDMO C=C(Br)COC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741324768 722544873 /nfs/dbraw/zinc/54/48/73/722544873.db2.gz FAJQEJBILSOWGC-AWEZNQCLSA-N 1 1 356.235 3.490 20 30 FGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)c1 ZINC000742382032 722556685 /nfs/dbraw/zinc/55/66/85/722556685.db2.gz YIPLTQSWIWBNSL-UHFFFAOYSA-N 1 1 350.296 3.317 20 30 FGEDMO N#CCSc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746209046 722594938 /nfs/dbraw/zinc/59/49/38/722594938.db2.gz UCWKAOJFUSOCSD-YJBOKZPZSA-N 1 1 355.507 3.391 20 30 FGEDMO Clc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)ccc1Br ZINC000754965264 722948404 /nfs/dbraw/zinc/94/84/04/722948404.db2.gz XPGOVXLKAQPLEW-CHWSQXEVSA-N 1 1 355.667 3.296 20 30 FGEDMO CN(CC(F)F)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000755068592 722949865 /nfs/dbraw/zinc/94/98/65/722949865.db2.gz XKAKAEAIANCLRJ-UHFFFAOYSA-N 1 1 372.257 3.482 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000756546712 722966576 /nfs/dbraw/zinc/96/65/76/722966576.db2.gz GELVLSMEYCATCM-INIZCTEOSA-N 1 1 358.438 3.127 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000756546712 722966577 /nfs/dbraw/zinc/96/65/77/722966577.db2.gz GELVLSMEYCATCM-INIZCTEOSA-N 1 1 358.438 3.127 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760830913 723096588 /nfs/dbraw/zinc/09/65/88/723096588.db2.gz QBUYDLHJWNJIQG-FGTMMUONSA-N 1 1 352.519 3.425 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)CC1 ZINC000762185965 723223714 /nfs/dbraw/zinc/22/37/14/723223714.db2.gz XACUZYISFSDGFM-SSZFMOIBSA-N 1 1 370.802 3.453 20 30 FGEDMO CCC[N@H+](Cn1nc(CC#N)n(C)c1=S)[C@H]1CCc2ccccc2C1 ZINC000794622807 723536280 /nfs/dbraw/zinc/53/62/80/723536280.db2.gz HBTBBUBKNVCGHT-KRWDZBQOSA-N 1 1 355.511 3.244 20 30 FGEDMO CCC[N@@H+](Cn1nc(CC#N)n(C)c1=S)[C@H]1CCc2ccccc2C1 ZINC000794622807 723536283 /nfs/dbraw/zinc/53/62/83/723536283.db2.gz HBTBBUBKNVCGHT-KRWDZBQOSA-N 1 1 355.511 3.244 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796339334 723633259 /nfs/dbraw/zinc/63/32/59/723633259.db2.gz VHQQSSRAVILDEI-OCCSQVGLSA-N 1 1 362.779 3.235 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796339334 723633262 /nfs/dbraw/zinc/63/32/62/723633262.db2.gz VHQQSSRAVILDEI-OCCSQVGLSA-N 1 1 362.779 3.235 20 30 FGEDMO CSC[C@@H]1CCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000767905490 723639105 /nfs/dbraw/zinc/63/91/05/723639105.db2.gz HIYXMVVTPPQTKI-GJZGRUSLSA-N 1 1 352.463 3.051 20 30 FGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CCCCC(C)(C)C#N)CCO1 ZINC000769733911 723693434 /nfs/dbraw/zinc/69/34/34/723693434.db2.gz QYZJUBNHQKXFJY-CVEARBPZSA-N 1 1 353.507 3.320 20 30 FGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000769733911 723693435 /nfs/dbraw/zinc/69/34/35/723693435.db2.gz QYZJUBNHQKXFJY-CVEARBPZSA-N 1 1 353.507 3.320 20 30 FGEDMO C#CCSCCNC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000774223954 723871203 /nfs/dbraw/zinc/87/12/03/723871203.db2.gz FLJRSPMXDDLJOV-UHFFFAOYSA-N 1 1 353.576 3.142 20 30 FGEDMO C=CCCC(=O)Nc1ccc(COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000774585703 723908836 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20 30 FGEDMO C#CC[N@@H+](C[C@H](C)Cc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775658593 724017822 /nfs/dbraw/zinc/01/78/22/724017822.db2.gz PTUCXFUQUPJEFV-XLIONFOSSA-N 1 1 361.551 3.285 20 30 FGEDMO C#CC[N@H+](C[C@H](C)Cc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775658593 724017826 /nfs/dbraw/zinc/01/78/26/724017826.db2.gz PTUCXFUQUPJEFV-XLIONFOSSA-N 1 1 361.551 3.285 20 30 FGEDMO C#C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000775800992 724063490 /nfs/dbraw/zinc/06/34/90/724063490.db2.gz RHOXZHAORFLNOM-OCCSQVGLSA-N 1 1 360.763 3.068 20 30 FGEDMO C=C(C)C[N@H+](C)Cn1nc(C(=O)OCC)c2cc(Br)ccc21 ZINC000777959614 724275645 /nfs/dbraw/zinc/27/56/45/724275645.db2.gz UIQGZOZVGWDRJE-UHFFFAOYSA-N 1 1 366.259 3.441 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccnc(-n2cccn2)c1 ZINC000778155577 724304346 /nfs/dbraw/zinc/30/43/46/724304346.db2.gz FHFOSEBVWLXPIL-UHFFFAOYSA-N 1 1 352.825 3.223 20 30 FGEDMO CCCCCCCOc1ccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000785980041 724953106 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FGEDMO C/C(C=NNCCC[NH+]1CCOCC1)=C/c1cccc(C(F)(F)F)c1 ZINC000807987324 725178471 /nfs/dbraw/zinc/17/84/71/725178471.db2.gz FAOFGQKVTZENTI-YWRBKETPSA-N 1 1 355.404 3.406 20 30 FGEDMO C#C[C@H](C)N(C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000812184646 725390191 /nfs/dbraw/zinc/39/01/91/725390191.db2.gz RRVQMHAPIDGLNO-QEORTHHSSA-N 1 1 351.853 3.135 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)nc1 ZINC000814171799 726944264 /nfs/dbraw/zinc/94/42/64/726944264.db2.gz STJBRTBZAZNIDC-OAHLLOKOSA-N 1 1 374.238 3.075 20 30 FGEDMO C#CC[N@@H+](C)CCCNc1c(C#N)cnc2c(Br)cccc21 ZINC000814929323 727012297 /nfs/dbraw/zinc/01/22/97/727012297.db2.gz IWGMGPRDLOSCSK-UHFFFAOYSA-N 1 1 357.255 3.236 20 30 FGEDMO C=CCC(F)(F)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000814993252 727017750 /nfs/dbraw/zinc/01/77/50/727017750.db2.gz YKQKSQHELQFSJK-GASCZTMLSA-N 1 1 352.425 3.123 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000815030928 727022967 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C#C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccc(Br)cc1 ZINC000833226476 729743678 /nfs/dbraw/zinc/74/36/78/729743678.db2.gz YMYWHMOOPBIQBG-YOEHRIQHSA-N 1 1 372.266 3.007 20 30 FGEDMO C=CCONC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000834934072 729847017 /nfs/dbraw/zinc/84/70/17/729847017.db2.gz RZSOGGHQYIWYKP-QGZVFWFLSA-N 1 1 357.479 3.264 20 30 FGEDMO C=CCONC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000834934072 729847019 /nfs/dbraw/zinc/84/70/19/729847019.db2.gz RZSOGGHQYIWYKP-QGZVFWFLSA-N 1 1 357.479 3.264 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C2/CCc3c(Br)cccc3C2=O)n1C ZINC000840720527 730165590 /nfs/dbraw/zinc/16/55/90/730165590.db2.gz OAAYOPMEXGUDNO-LUAWRHEFSA-N 1 1 360.255 3.461 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C2/Cc3c(c(Br)ccc3F)C2=O)n1C ZINC000840722264 730165971 /nfs/dbraw/zinc/16/59/71/730165971.db2.gz ZVSHWJIVXSKAKO-TWGQIWQCSA-N 1 1 364.218 3.210 20 30 FGEDMO C#CC[N@@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1CCc2ccccc21 ZINC000844281990 730698176 /nfs/dbraw/zinc/69/81/76/730698176.db2.gz QXCWLDJPGPQIQE-IBGZPJMESA-N 1 1 374.893 3.110 20 30 FGEDMO C#CC[N@H+](Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1CCc2ccccc21 ZINC000844281990 730698178 /nfs/dbraw/zinc/69/81/78/730698178.db2.gz QXCWLDJPGPQIQE-IBGZPJMESA-N 1 1 374.893 3.110 20 30 FGEDMO COC(=O)c1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1Cl ZINC000844367347 730708599 /nfs/dbraw/zinc/70/85/99/730708599.db2.gz ALFNLXBDVBCHSY-GOSISDBHSA-N 1 1 358.825 3.164 20 30 FGEDMO COc1ccc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)c(Cl)c1OC ZINC000846006639 730917764 /nfs/dbraw/zinc/91/77/64/730917764.db2.gz KEGJLCPQENIJLS-INIZCTEOSA-N 1 1 360.841 3.394 20 30 FGEDMO COc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(Cl)c1OC ZINC000846006639 730917767 /nfs/dbraw/zinc/91/77/67/730917767.db2.gz KEGJLCPQENIJLS-INIZCTEOSA-N 1 1 360.841 3.394 20 30 FGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846788107 730980518 /nfs/dbraw/zinc/98/05/18/730980518.db2.gz HKIRRGLCXPWGPS-UHFFFAOYSA-N 1 1 371.282 3.156 20 30 FGEDMO C[Si](C)(C)Cn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000850003121 731308672 /nfs/dbraw/zinc/30/86/72/731308672.db2.gz RFQXFSKGTNXLAQ-UHFFFAOYSA-N 1 1 351.526 3.156 20 30 FGEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851779037 731497026 /nfs/dbraw/zinc/49/70/26/731497026.db2.gz PBCAUHJDMNKQNP-MRXNPFEDSA-N 1 1 351.491 3.027 20 30 FGEDMO C=CCOCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852337580 731572484 /nfs/dbraw/zinc/57/24/84/731572484.db2.gz VDFKPKBACGDHPI-MNOVXSKESA-N 1 1 353.098 3.017 20 30 FGEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000852714680 731623484 /nfs/dbraw/zinc/62/34/84/731623484.db2.gz YHHAIMCSHLXICR-ZCFIWIBFSA-N 1 1 358.052 3.375 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853545229 731721128 /nfs/dbraw/zinc/72/11/28/731721128.db2.gz QDKVUPRRHBOFJW-UHFFFAOYSA-N 1 1 373.254 3.467 20 30 FGEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl)C(=O)N(C)CCC#N ZINC000856780201 732059454 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FGEDMO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@H+](CCCSCC#N)C1 ZINC000879439584 736991716 /nfs/dbraw/zinc/99/17/16/736991716.db2.gz OEJRAPIQTGJKMB-QAETUUGQSA-N 1 1 365.543 3.211 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC000879654830 737024198 /nfs/dbraw/zinc/02/41/98/737024198.db2.gz ODHAWGYUDZLCIH-KXBFYZLASA-N 1 1 353.507 3.178 20 30 FGEDMO COCC1([N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCC1 ZINC000880186491 737133524 /nfs/dbraw/zinc/13/35/24/737133524.db2.gz ZAOWPPZKEORLFY-OAHLLOKOSA-N 1 1 361.511 3.378 20 30 FGEDMO COCC1([N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCC1 ZINC000880186491 737133528 /nfs/dbraw/zinc/13/35/28/737133528.db2.gz ZAOWPPZKEORLFY-OAHLLOKOSA-N 1 1 361.511 3.378 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880575268 737187656 /nfs/dbraw/zinc/18/76/56/737187656.db2.gz WXXWVPNFFMNNJS-QGZVFWFLSA-N 1 1 361.511 3.477 20 30 FGEDMO N#Cc1csc(C(=O)Nc2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000882393760 737450439 /nfs/dbraw/zinc/45/04/39/737450439.db2.gz GOVBCXMPVGQYJJ-QGZVFWFLSA-N 1 1 352.463 3.156 20 30 FGEDMO C=C(C)C[C@H](CO)[NH2+]Cc1ncc(Br)cc1Br ZINC000883400940 737563452 /nfs/dbraw/zinc/56/34/52/737563452.db2.gz YNKUUUAXQABRTN-SNVBAGLBSA-N 1 1 364.081 3.023 20 30 FGEDMO C#CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426209 739258575 /nfs/dbraw/zinc/25/85/75/739258575.db2.gz MXQUSPMFYCSHPV-DLBZAZTESA-N 1 1 350.503 3.136 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)cn2)[C@H]1c1cccs1 ZINC000889226279 739643844 /nfs/dbraw/zinc/64/38/44/739643844.db2.gz ABALGZSQMFMJBY-YOEHRIQHSA-N 1 1 355.467 3.219 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000889234100 739644919 /nfs/dbraw/zinc/64/49/19/739644919.db2.gz AZGKFJLQHSTKJV-NVXWUHKLSA-N 1 1 355.829 3.174 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000889234100 739644922 /nfs/dbraw/zinc/64/49/22/739644922.db2.gz AZGKFJLQHSTKJV-NVXWUHKLSA-N 1 1 355.829 3.174 20 30 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C=C(C)C[NH+]1CCC(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000106245268 495440221 /nfs/dbraw/zinc/44/02/21/495440221.db2.gz MDDLTCPZYSZMHS-UHFFFAOYSA-N 1 1 369.469 3.125 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000137604680 495446512 /nfs/dbraw/zinc/44/65/12/495446512.db2.gz LFHYRQXAEKHXCW-OAHLLOKOSA-N 1 1 363.889 3.382 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000137604680 495446515 /nfs/dbraw/zinc/44/65/15/495446515.db2.gz LFHYRQXAEKHXCW-OAHLLOKOSA-N 1 1 363.889 3.382 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120804041 495460567 /nfs/dbraw/zinc/46/05/67/495460567.db2.gz PHIGJAMUXWJLKM-KBXCAEBGSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000120804041 495460570 /nfs/dbraw/zinc/46/05/70/495460570.db2.gz PHIGJAMUXWJLKM-KBXCAEBGSA-N 1 1 355.463 3.410 20 30 FGEDMO C=CCC[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000130940993 495469685 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CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cc(F)ccc1F ZINC000179779383 495731822 /nfs/dbraw/zinc/73/18/22/495731822.db2.gz CYYFBGRIQWIHHP-GOSISDBHSA-N 1 1 364.417 3.351 20 30 FGEDMO CC(C)(C)n1cc(C#N)cc1NC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000171144002 495742130 /nfs/dbraw/zinc/74/21/30/495742130.db2.gz PLMQZSKOFFPCBP-UHFFFAOYSA-N 1 1 365.481 3.295 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4)C3)n2c1 ZINC000179840734 495755113 /nfs/dbraw/zinc/75/51/13/495755113.db2.gz XJOVNLDUQOONQM-QGZVFWFLSA-N 1 1 359.433 3.057 20 30 FGEDMO CCC[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000182936733 495765038 /nfs/dbraw/zinc/76/50/38/495765038.db2.gz JOSXKEQOZMVGIH-LEWJYISDSA-N 1 1 369.509 3.188 20 30 FGEDMO CCC[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000182936733 495765042 /nfs/dbraw/zinc/76/50/42/495765042.db2.gz JOSXKEQOZMVGIH-LEWJYISDSA-N 1 1 369.509 3.188 20 30 FGEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000174098762 495819823 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C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1ccc(C(C)(C)C)cc1 ZINC000580805754 505841838 /nfs/dbraw/zinc/84/18/38/505841838.db2.gz GCIAGJXOFVCGDH-KRWDZBQOSA-N 1 1 363.509 3.399 20 30 FGEDMO CCN1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000157516698 496493918 /nfs/dbraw/zinc/49/39/18/496493918.db2.gz HZRIHZJKAVAQMO-UHFFFAOYSA-N 1 1 374.554 3.243 20 30 FGEDMO C#Cc1cccc(NC(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)c1 ZINC000157579280 496507519 /nfs/dbraw/zinc/50/75/19/496507519.db2.gz CPIZIGOHNBBKFG-UHFFFAOYSA-N 1 1 357.498 3.270 20 30 FGEDMO Cc1cnc(CC[N@@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000157782757 496554196 /nfs/dbraw/zinc/55/41/96/496554196.db2.gz LZAHLIMNUFJJBL-LBPRGKRZSA-N 1 1 374.535 3.375 20 30 FGEDMO Cc1cnc(CC[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000157782757 496554204 /nfs/dbraw/zinc/55/42/04/496554204.db2.gz LZAHLIMNUFJJBL-LBPRGKRZSA-N 1 1 374.535 3.375 20 30 FGEDMO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000181839856 496567947 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3.486 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c2ccccc21 ZINC000571976029 505859983 /nfs/dbraw/zinc/85/99/83/505859983.db2.gz ISWBBNNQDCHREY-SFHVURJKSA-N 1 1 365.477 3.486 20 30 FGEDMO COc1ccc(COC[C@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194957055 496773458 /nfs/dbraw/zinc/77/34/58/496773458.db2.gz LVOKJCKCPHUXIT-OAQYLSRUSA-N 1 1 366.461 3.109 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000247119955 496785975 /nfs/dbraw/zinc/78/59/75/496785975.db2.gz YVCRDEZZLOFPOD-HKUYNNGSSA-N 1 1 354.498 3.083 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000191512054 496792094 /nfs/dbraw/zinc/79/20/94/496792094.db2.gz GJSIUNAOBPRXID-LJQANCHMSA-N 1 1 354.450 3.135 20 30 FGEDMO CNC(=O)[C@H]1CCCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191556458 496810216 /nfs/dbraw/zinc/81/02/16/496810216.db2.gz ONRUKQUTHRZSKH-OAQYLSRUSA-N 1 1 361.489 3.487 20 30 FGEDMO COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)N2CCCC2)cc1OC ZINC000264110452 496814294 /nfs/dbraw/zinc/81/42/94/496814294.db2.gz OTFHEFJFKXFXIU-GOSISDBHSA-N 1 1 368.481 3.268 20 30 FGEDMO C=CCn1c(C2CCC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569173373 505868812 /nfs/dbraw/zinc/86/88/12/505868812.db2.gz QKZLXMVLLHRUPG-IBGZPJMESA-N 1 1 351.498 3.442 20 30 FGEDMO N#Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000569175494 505869367 /nfs/dbraw/zinc/86/93/67/505869367.db2.gz NPORLZOLEXTOLI-ACIOBRDBSA-N 1 1 361.489 3.018 20 30 FGEDMO N#Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000569175494 505869369 /nfs/dbraw/zinc/86/93/69/505869369.db2.gz NPORLZOLEXTOLI-ACIOBRDBSA-N 1 1 361.489 3.018 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)nc1 ZINC000569186244 505871656 /nfs/dbraw/zinc/87/16/56/505871656.db2.gz SUDLFOPFGIHBJE-INIZCTEOSA-N 1 1 367.428 3.126 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000247693818 496906846 /nfs/dbraw/zinc/90/68/46/496906846.db2.gz WIVJWEUPXKSJHZ-PKOBYXMFSA-N 1 1 363.461 3.424 20 30 FGEDMO N#Cc1ccc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(F)c1 ZINC000264470911 496907264 /nfs/dbraw/zinc/90/72/64/496907264.db2.gz NLJRKTLHDSCKJQ-SFHVURJKSA-N 1 1 366.440 3.007 20 30 FGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ncccc1OCCCC#N)C2 ZINC000188786688 496909857 /nfs/dbraw/zinc/90/98/57/496909857.db2.gz ACRUMUZSFOMAJX-DLBZAZTESA-N 1 1 371.485 3.243 20 30 FGEDMO Cc1cc(C#N)ccc1-c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000273808292 496915386 /nfs/dbraw/zinc/91/53/86/496915386.db2.gz IHVAEGLGZHOPCX-UHFFFAOYSA-N 1 1 374.448 3.121 20 30 FGEDMO COCC[N@@H+](C)CCCNC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000264533150 496921789 /nfs/dbraw/zinc/92/17/89/496921789.db2.gz KSNPWNODNKJVOY-HNNXBMFYSA-N 1 1 364.515 3.028 20 30 FGEDMO N#CCOc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000264582025 496934714 /nfs/dbraw/zinc/93/47/14/496934714.db2.gz VTEUTQIGWBCNOU-UHFFFAOYSA-N 1 1 367.424 3.076 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1C ZINC000248134573 496960319 /nfs/dbraw/zinc/96/03/19/496960319.db2.gz OXAIVPWXHNODFC-SIKLNZKXSA-N 1 1 369.509 3.177 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2C)c1C#N ZINC000248326260 496979141 /nfs/dbraw/zinc/97/91/41/496979141.db2.gz BTNQMZAKLABRMI-DZGCQCFKSA-N 1 1 354.454 3.287 20 30 FGEDMO C#CC[NH+]1CCC(c2nc(CC(=O)Nc3cccc4ccccc43)no2)CC1 ZINC000278055177 496988211 /nfs/dbraw/zinc/98/82/11/496988211.db2.gz URHBQXXAMZFGSO-UHFFFAOYSA-N 1 1 374.444 3.217 20 30 FGEDMO C#CCCCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000192154420 497015157 /nfs/dbraw/zinc/01/51/57/497015157.db2.gz DBWGSGBLIQCXGU-UHFFFAOYSA-N 1 1 363.299 3.333 20 30 FGEDMO Cc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000265136140 497054715 /nfs/dbraw/zinc/05/47/15/497054715.db2.gz OQLRORBSHYTBCR-UHFFFAOYSA-N 1 1 371.872 3.104 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000265202237 497070309 /nfs/dbraw/zinc/07/03/09/497070309.db2.gz RFEGXQNDFRVTAE-HLIPFELVSA-N 1 1 372.513 3.055 20 30 FGEDMO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000265205871 497071576 /nfs/dbraw/zinc/07/15/76/497071576.db2.gz SLZCEMANZWLMHB-KNQAVFIVSA-N 1 1 372.557 3.263 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)c1C#N ZINC000248888835 497127035 /nfs/dbraw/zinc/12/70/35/497127035.db2.gz FJMBRDOJHBGQQF-AUUYWEPGSA-N 1 1 372.513 3.123 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1C#N ZINC000248888835 497127037 /nfs/dbraw/zinc/12/70/37/497127037.db2.gz FJMBRDOJHBGQQF-AUUYWEPGSA-N 1 1 372.513 3.123 20 30 FGEDMO C[C@H](CCN1CCN(C)CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000274627591 497133375 /nfs/dbraw/zinc/13/33/75/497133375.db2.gz NYUVXJSTLRCKCG-JSRJAPPDSA-N 1 1 354.542 3.006 20 30 FGEDMO CC[C@@]1(CO)CCC[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000189639593 497191469 /nfs/dbraw/zinc/19/14/69/497191469.db2.gz BVKOSORYRUBABL-IBGZPJMESA-N 1 1 363.889 3.132 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000270765954 497197739 /nfs/dbraw/zinc/19/77/39/497197739.db2.gz ZSZQBWQLPXQWIB-KRWDZBQOSA-N 1 1 359.514 3.023 20 30 FGEDMO N#Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1F ZINC000278714934 497198452 /nfs/dbraw/zinc/19/84/52/497198452.db2.gz SHCPQCFYBDWOLN-UHFFFAOYSA-N 1 1 355.388 3.185 20 30 FGEDMO N#Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ccc1F ZINC000278714934 497198460 /nfs/dbraw/zinc/19/84/60/497198460.db2.gz SHCPQCFYBDWOLN-UHFFFAOYSA-N 1 1 355.388 3.185 20 30 FGEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000265876006 497199076 /nfs/dbraw/zinc/19/90/76/497199076.db2.gz NFORZFIGSDMRLY-NSISKUIASA-N 1 1 355.482 3.412 20 30 FGEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000278772262 497216050 /nfs/dbraw/zinc/21/60/50/497216050.db2.gz GUQHTANKKWYILJ-IYBDPMFKSA-N 1 1 373.472 3.049 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000249821837 497249642 /nfs/dbraw/zinc/24/96/42/497249642.db2.gz GXZNXRDOSCRJND-DLBZAZTESA-N 1 1 374.485 3.413 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)/C=C/c3ccc(O)cc3)CC2)cc1 ZINC000192945244 497254816 /nfs/dbraw/zinc/25/48/16/497254816.db2.gz QWQFBQWXICBFCT-DHZHZOJOSA-N 1 1 361.445 3.012 20 30 FGEDMO C=CCC[C@@H](C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000189911349 497289932 /nfs/dbraw/zinc/28/99/32/497289932.db2.gz KUZCGXQRBVTEAK-FGZHOGPDSA-N 1 1 369.553 3.365 20 30 FGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C12CCCCC2 ZINC000569297751 505899505 /nfs/dbraw/zinc/89/95/05/505899505.db2.gz BUEDUZZSXPKTEY-VQTJNVASSA-N 1 1 369.509 3.234 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000275519790 497351268 /nfs/dbraw/zinc/35/12/68/497351268.db2.gz ZAXCNEZOFZXBFM-OLZOCXBDSA-N 1 1 363.412 3.090 20 30 FGEDMO COCC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000193456165 497384519 /nfs/dbraw/zinc/38/45/19/497384519.db2.gz ACBFXMRBALHCJM-UHFFFAOYSA-N 1 1 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ZINC000245501474 497431670 /nfs/dbraw/zinc/43/16/70/497431670.db2.gz CVMFWJLAURMSGF-SJLPKXTDSA-N 1 1 361.449 3.400 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCCC3(CCOCC3)C2)c(-c2ccncc2)n1 ZINC000279416755 497433924 /nfs/dbraw/zinc/43/39/24/497433924.db2.gz ONIIUQMMKARYEC-UHFFFAOYSA-N 1 1 365.481 3.251 20 30 FGEDMO N#CCCn1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000279422286 497436003 /nfs/dbraw/zinc/43/60/03/497436003.db2.gz PHDZIBCOCFTGSI-NRFANRHFSA-N 1 1 373.460 3.432 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000279422286 497436008 /nfs/dbraw/zinc/43/60/08/497436008.db2.gz PHDZIBCOCFTGSI-NRFANRHFSA-N 1 1 373.460 3.432 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000275832020 497443156 /nfs/dbraw/zinc/44/31/56/497443156.db2.gz SOCGLSBHOLXTDA-VQIMIIECSA-N 1 1 350.528 3.305 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190363410 497450750 /nfs/dbraw/zinc/45/07/50/497450750.db2.gz 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C[C@@H](O)C[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000279809488 497549308 /nfs/dbraw/zinc/54/93/08/497549308.db2.gz PVGNWTBCITVLEF-ZIAGYGMSSA-N 1 1 361.511 3.062 20 30 FGEDMO C=CCNc1ncc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)s1 ZINC000245906474 497566928 /nfs/dbraw/zinc/56/69/28/497566928.db2.gz BJHYEXPIFMCWHD-HZPDHXFCSA-N 1 1 362.543 3.468 20 30 FGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)[C@H]2C1 ZINC000272411085 497621483 /nfs/dbraw/zinc/62/14/83/497621483.db2.gz KUOMFYWWOIWMOW-RXVVDRJESA-N 1 1 360.461 3.039 20 30 FGEDMO CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000272648440 497689152 /nfs/dbraw/zinc/68/91/52/497689152.db2.gz ZZUDWLGNEAPWFQ-QGZVFWFLSA-N 1 1 362.474 3.096 20 30 FGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272666136 497695380 /nfs/dbraw/zinc/69/53/80/497695380.db2.gz IZJCTPSQBIUIEP-WMZOPIPTSA-N 1 1 364.449 3.373 20 30 FGEDMO C#CCNC(=O)c1cccc(-c2noc([C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000276949852 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KCXXHZCEUCIEAH-AWEZNQCLSA-N 1 1 361.511 3.326 20 30 FGEDMO C[C@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCN1C(=O)c1ccccc1 ZINC000329664772 497862151 /nfs/dbraw/zinc/86/21/51/497862151.db2.gz QMLZOSPTKAKDHD-IIBYNOLFSA-N 1 1 355.482 3.122 20 30 FGEDMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329680768 497867826 /nfs/dbraw/zinc/86/78/26/497867826.db2.gz RNEWUDMVGMWLLW-KMFMINBZSA-N 1 1 361.534 3.256 20 30 FGEDMO C[N@@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000329710129 497875987 /nfs/dbraw/zinc/87/59/87/497875987.db2.gz NMNOFNUDKWAVFP-ZHALLVOQSA-N 1 1 372.513 3.423 20 30 FGEDMO C[N@H+]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000329710129 497875992 /nfs/dbraw/zinc/87/59/92/497875992.db2.gz NMNOFNUDKWAVFP-ZHALLVOQSA-N 1 1 372.513 3.423 20 30 FGEDMO C[C@@H](C(=O)NCc1c2c(nn1C)CCCC2)[N@@H+]1CCc2ccccc2C1 ZINC000329742154 497885865 /nfs/dbraw/zinc/88/58/65/497885865.db2.gz PFCPFNQXFPFIIW-HNNXBMFYSA-N 1 1 352.482 3.202 20 30 FGEDMO C[C@@H](C(=O)NCc1c2c(nn1C)CCCC2)[N@H+]1CCc2ccccc2C1 ZINC000329742154 497885867 /nfs/dbraw/zinc/88/58/67/497885867.db2.gz PFCPFNQXFPFIIW-HNNXBMFYSA-N 1 1 352.482 3.202 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@]1(C)CCO[C@H]1C1CC1 ZINC000329751742 497889322 /nfs/dbraw/zinc/88/93/22/497889322.db2.gz JBFIJNARXOUHIS-MOFCZTIZSA-N 1 1 371.525 3.358 20 30 FGEDMO CN(C(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000329770184 497896062 /nfs/dbraw/zinc/89/60/62/497896062.db2.gz INCGURWSVCUKNK-IBGZPJMESA-N 1 1 357.498 3.399 20 30 FGEDMO CN(C(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000329770184 497896069 /nfs/dbraw/zinc/89/60/69/497896069.db2.gz INCGURWSVCUKNK-IBGZPJMESA-N 1 1 357.498 3.399 20 30 FGEDMO CCC[C@@]1(CO)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000288790495 497901140 /nfs/dbraw/zinc/90/11/40/497901140.db2.gz LCCPDEJEUYOCPC-WIYYLYMNSA-N 1 1 357.498 3.115 20 30 FGEDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000329797016 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IGJUAMNSRUNBDP-MOPGFXCFSA-N 1 1 373.545 3.186 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000330055316 498005815 /nfs/dbraw/zinc/00/58/15/498005815.db2.gz UEFXZWXDNHFNSR-GHMZBOCLSA-N 1 1 368.268 3.361 20 30 FGEDMO CC1CC[NH+](C[C@@H]2CCCN(C(=O)N[C@@H]3CCCc4cn[nH]c43)C2)CC1 ZINC000330112442 498025642 /nfs/dbraw/zinc/02/56/42/498025642.db2.gz BYDWENPOXUTDPP-FUHWJXTLSA-N 1 1 359.518 3.145 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000364607704 498046782 /nfs/dbraw/zinc/04/67/82/498046782.db2.gz OTVWWZLRNRJURG-SYYKKAFVSA-N 1 1 374.525 3.423 20 30 FGEDMO Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1N1CCNC1=O ZINC000330205879 498060566 /nfs/dbraw/zinc/06/05/66/498060566.db2.gz DTPHKGBIMYLHAW-QGZVFWFLSA-N 1 1 373.501 3.081 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000285406328 498076221 /nfs/dbraw/zinc/07/62/21/498076221.db2.gz FMEKTHVDJGCSJL-PMSBKCLSSA-N 1 1 368.525 3.107 20 30 FGEDMO C=CC[C@H]1[N@@H+](Cc2c(C)nn(CCS(C)(=O)=O)c2C)CCCC1(C)C ZINC000281339456 498111518 /nfs/dbraw/zinc/11/15/18/498111518.db2.gz QNYRCQOGJLOFSP-GOSISDBHSA-N 1 1 367.559 3.111 20 30 FGEDMO N#Cc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(N)c1[N+](=O)[O-] ZINC000572502065 505984890 /nfs/dbraw/zinc/98/48/90/505984890.db2.gz GGHGJNSPVHLWMF-INIZCTEOSA-N 1 1 351.410 3.125 20 30 FGEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578632206 505985723 /nfs/dbraw/zinc/98/57/23/505985723.db2.gz OAFPDEAQHZPORD-XJKSGUPXSA-N 1 1 359.426 3.409 20 30 FGEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578632206 505985726 /nfs/dbraw/zinc/98/57/26/505985726.db2.gz OAFPDEAQHZPORD-XJKSGUPXSA-N 1 1 359.426 3.409 20 30 FGEDMO C[C@@H]1CN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@H+](C2CC2)C1 ZINC000296684114 498152734 /nfs/dbraw/zinc/15/27/34/498152734.db2.gz ISDZFSZWVDYSNM-MRXNPFEDSA-N 1 1 374.916 3.003 20 30 FGEDMO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000330610544 498159542 /nfs/dbraw/zinc/15/95/42/498159542.db2.gz PBMLPOWWFNHJSY-ZQIUZPCESA-N 1 1 365.905 3.220 20 30 FGEDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000285673256 498168271 /nfs/dbraw/zinc/16/82/71/498168271.db2.gz ZXGNMFLPGOYXKU-SJPCQFCGSA-N 1 1 360.889 3.097 20 30 FGEDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000285673256 498168275 /nfs/dbraw/zinc/16/82/75/498168275.db2.gz ZXGNMFLPGOYXKU-SJPCQFCGSA-N 1 1 360.889 3.097 20 30 FGEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000292883686 498182244 /nfs/dbraw/zinc/18/22/44/498182244.db2.gz HYMCLSWDBMUQKL-HKUYNNGSSA-N 1 1 368.529 3.007 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)N(C)CC[C@H](C)O)[C@H]1c1ccc(F)c(F)c1 ZINC000330752240 498187794 /nfs/dbraw/zinc/18/77/94/498187794.db2.gz ZTYDETNRHFSJBS-MORSLUCNSA-N 1 1 369.456 3.105 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N(C)CC[C@H](C)O)[C@H]1c1ccc(F)c(F)c1 ZINC000330752240 498187801 /nfs/dbraw/zinc/18/78/01/498187801.db2.gz ZTYDETNRHFSJBS-MORSLUCNSA-N 1 1 369.456 3.105 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000330787854 498193882 /nfs/dbraw/zinc/19/38/82/498193882.db2.gz XUALGBYUPIVJKU-BNDYYXHWSA-N 1 1 362.562 3.016 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000330787855 498194681 /nfs/dbraw/zinc/19/46/81/498194681.db2.gz XUALGBYUPIVJKU-WERVVEIQSA-N 1 1 362.562 3.016 20 30 FGEDMO C=CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000581517076 506005507 /nfs/dbraw/zinc/00/55/07/506005507.db2.gz NLCXAMJOESDGTG-KRWDZBQOSA-N 1 1 357.889 3.457 20 30 FGEDMO CC(C)c1ccc(C[NH+]2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)cc1 ZINC000301648788 498206529 /nfs/dbraw/zinc/20/65/29/498206529.db2.gz OZTNVAYIEMUIOH-UHFFFAOYSA-N 1 1 365.437 3.307 20 30 FGEDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C[C@@H]1C ZINC000330868335 498208690 /nfs/dbraw/zinc/20/86/90/498208690.db2.gz WDMCQVQPCAMYJO-QWRGUYRKSA-N 1 1 361.820 3.210 20 30 FGEDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)C[C@@H]1C ZINC000330868335 498208693 /nfs/dbraw/zinc/20/86/93/498208693.db2.gz WDMCQVQPCAMYJO-QWRGUYRKSA-N 1 1 361.820 3.210 20 30 FGEDMO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cc(F)cc(C#N)c1 ZINC000285824113 498211167 /nfs/dbraw/zinc/21/11/67/498211167.db2.gz RUDBCSNNFVSMCE-OXQOHEQNSA-N 1 1 369.484 3.450 20 30 FGEDMO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[N@@H+]1C ZINC000330900347 498214648 /nfs/dbraw/zinc/21/46/48/498214648.db2.gz WDTRPXVSJQKACN-NEPJUHHUSA-N 1 1 370.375 3.056 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289608398 498215583 /nfs/dbraw/zinc/21/55/83/498215583.db2.gz YHYXUZPRUJKNDD-IBGZPJMESA-N 1 1 360.461 3.024 20 30 FGEDMO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330915403 498217163 /nfs/dbraw/zinc/21/71/63/498217163.db2.gz UDVFIPQMNVFYJB-GRYCIOLGSA-N 1 1 372.296 3.285 20 30 FGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1 ZINC000292999400 498229261 /nfs/dbraw/zinc/22/92/61/498229261.db2.gz OSOYNKAUBIWXFQ-NRFANRHFSA-N 1 1 373.460 3.146 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCN2C(C)=O)cc(OC)c1O ZINC000359976785 498231645 /nfs/dbraw/zinc/23/16/45/498231645.db2.gz VIIWUDGVWPWSII-RBUKOAKNSA-N 1 1 358.482 3.105 20 30 FGEDMO COc1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)c(OC)n1 ZINC000289663390 498236983 /nfs/dbraw/zinc/23/69/83/498236983.db2.gz RCKJFALTVRJCPL-UHFFFAOYSA-N 1 1 371.437 3.080 20 30 FGEDMO CC(C)(C)c1csc(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)n1 ZINC000360107689 498246073 /nfs/dbraw/zinc/24/60/73/498246073.db2.gz MVCIDGREQANFTM-HXUWFJFHSA-N 1 1 374.554 3.428 20 30 FGEDMO C[C@H](NC(=O)N1CCC([N@@H+](C)CCO)CC1)c1cc(Cl)ccc1Cl ZINC000331154235 498263202 /nfs/dbraw/zinc/26/32/02/498263202.db2.gz CSSVZWYZKKXUGX-LBPRGKRZSA-N 1 1 374.312 3.357 20 30 FGEDMO CC(C)Sc1ccccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331157985 498265060 /nfs/dbraw/zinc/26/50/60/498265060.db2.gz DYAFLJWVADJQAW-LSDHHAIUSA-N 1 1 351.516 3.120 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H]4OCC[C@@H]4C3)sc2C1 ZINC000575800615 506007795 /nfs/dbraw/zinc/00/77/95/506007795.db2.gz UUGLKXNYWSQXCZ-CPUCHLNUSA-N 1 1 373.522 3.184 20 30 FGEDMO CC1(C)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000331188168 498272146 /nfs/dbraw/zinc/27/21/46/498272146.db2.gz VNBGVOHBJDHOPG-OAHLLOKOSA-N 1 1 353.388 3.085 20 30 FGEDMO CC1(C)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)CC[C@H]1C(F)(F)F ZINC000331188168 498272151 /nfs/dbraw/zinc/27/21/51/498272151.db2.gz VNBGVOHBJDHOPG-OAHLLOKOSA-N 1 1 353.388 3.085 20 30 FGEDMO CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000331196500 498272853 /nfs/dbraw/zinc/27/28/53/498272853.db2.gz UPYIAESHSVKKEZ-KGLIPLIRSA-N 1 1 367.921 3.397 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000581529871 506008376 /nfs/dbraw/zinc/00/83/76/506008376.db2.gz NEILECILNJWKMN-NXHRZFHOSA-N 1 1 361.873 3.166 20 30 FGEDMO CC(C)[C@@]1(CO)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000293130274 498279964 /nfs/dbraw/zinc/27/99/64/498279964.db2.gz SECCZKVRJAHLDP-NQIIRXRSSA-N 1 1 357.498 3.052 20 30 FGEDMO CO[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000331300901 498296104 /nfs/dbraw/zinc/29/61/04/498296104.db2.gz WMPFZXUGZGANGZ-CSMYWGQOSA-N 1 1 355.429 3.027 20 30 FGEDMO CO[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000331300901 498296108 /nfs/dbraw/zinc/29/61/08/498296108.db2.gz WMPFZXUGZGANGZ-CSMYWGQOSA-N 1 1 355.429 3.027 20 30 FGEDMO CC(C)(C)Oc1ccc(NC(=O)Cn2c[nH+]c3c2CCCC3)cc1C#N ZINC000575834669 506013447 /nfs/dbraw/zinc/01/34/47/506013447.db2.gz FLOVSKVDRPFLTJ-UHFFFAOYSA-N 1 1 352.438 3.450 20 30 FGEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281895466 498309385 /nfs/dbraw/zinc/30/93/85/498309385.db2.gz FBQIKEMBSAUEKT-QGZVFWFLSA-N 1 1 353.470 3.361 20 30 FGEDMO COc1ccccc1C[NH+]1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000301885616 498311990 /nfs/dbraw/zinc/31/19/90/498311990.db2.gz LZMCBFMEOFHRHZ-UHFFFAOYSA-N 1 1 362.477 3.163 20 30 FGEDMO C=CCCC1(c2nc(-c3ccc(N4CCC[N@H+](C)CC4)nc3)no2)CC1 ZINC000575835893 506013982 /nfs/dbraw/zinc/01/39/82/506013982.db2.gz PCRGVPCCRBHVRK-UHFFFAOYSA-N 1 1 353.470 3.271 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000365149664 498323342 /nfs/dbraw/zinc/32/33/42/498323342.db2.gz GZTAYPQWYDKODN-FQEVSTJZSA-N 1 1 369.490 3.018 20 30 FGEDMO Cn1cc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc(F)c(Cl)c2)cn1 ZINC000365156062 498326850 /nfs/dbraw/zinc/32/68/50/498326850.db2.gz LKBPKRDDWYZMDV-SFHVURJKSA-N 1 1 357.820 3.302 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)o2)cc1 ZINC000361033492 498335770 /nfs/dbraw/zinc/33/57/70/498335770.db2.gz TWTJMDAJDNUZLO-DLBZAZTESA-N 1 1 352.438 3.247 20 30 FGEDMO CN(C(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O)C1(C#N)CCCCC1 ZINC000331522208 498359120 /nfs/dbraw/zinc/35/91/20/498359120.db2.gz CVZUNEUKTNVGOC-GGPKGHCWSA-N 1 1 361.530 3.077 20 30 FGEDMO N#C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@]12C(=O)Nc1ccccc12 ZINC000365244816 498370682 /nfs/dbraw/zinc/37/06/82/498370682.db2.gz UHGWHWVWNKZZNY-NSPYISDASA-N 1 1 371.799 3.030 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(c3cc(C(C)=O)ccc3C#N)CC2)cc1 ZINC000302028053 498374421 /nfs/dbraw/zinc/37/44/21/498374421.db2.gz LYVFQVWOPKUWIH-UHFFFAOYSA-N 1 1 363.461 3.482 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[N@H+](C)C[C@@H]2C)c1C#N ZINC000331580638 498379899 /nfs/dbraw/zinc/37/98/99/498379899.db2.gz LNXGTEQHAFSSBU-HNNXBMFYSA-N 1 1 371.529 3.056 20 30 FGEDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361666275 498416877 /nfs/dbraw/zinc/41/68/77/498416877.db2.gz DLBBBPYZJLKFGN-MSOLQXFVSA-N 1 1 371.529 3.202 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(CC#N)cc1 ZINC000365361782 498423907 /nfs/dbraw/zinc/42/39/07/498423907.db2.gz IXPWZTKOVYKKRG-OXQOHEQNSA-N 1 1 363.465 3.180 20 30 FGEDMO C=CCn1c(-c2cccnc2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000282226803 498430839 /nfs/dbraw/zinc/43/08/39/498430839.db2.gz JBLNWWUGEQBFBO-UHFFFAOYSA-N 1 1 368.529 3.474 20 30 FGEDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1c(Cl)cccc1C#N ZINC000302446601 498485704 /nfs/dbraw/zinc/48/57/04/498485704.db2.gz OCTCWVFLRNBIRT-FQEVSTJZSA-N 1 1 355.869 3.285 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCO[C@@H](C)[C@@H]3C)sc2C1 ZINC000331898691 498493000 /nfs/dbraw/zinc/49/30/00/498493000.db2.gz HLVAKFUOCRGOSZ-RDBSUJKOSA-N 1 1 361.511 3.182 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCO[C@@H](C)[C@@H]3C)sc2C1 ZINC000331898691 498493006 /nfs/dbraw/zinc/49/30/06/498493006.db2.gz HLVAKFUOCRGOSZ-RDBSUJKOSA-N 1 1 361.511 3.182 20 30 FGEDMO Cc1cc(CNC(=O)CSc2ccc(C#N)cc2)cc(N2CCCC2)[nH+]1 ZINC000290349559 498518688 /nfs/dbraw/zinc/51/86/88/498518688.db2.gz LDASKYKQLAZFOL-UHFFFAOYSA-N 1 1 366.490 3.270 20 30 FGEDMO CC[NH+]1CCN(C[C@@H](C)CNc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000302689293 498533001 /nfs/dbraw/zinc/53/30/01/498533001.db2.gz UUPYRRNYOKSTGT-HNNXBMFYSA-N 1 1 371.916 3.445 20 30 FGEDMO C=CCN(C(=O)[C@@H]1CCC(=O)C[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362704242 498541681 /nfs/dbraw/zinc/54/16/81/498541681.db2.gz STOSBHHUKQMHMM-FBBABVLZSA-N 1 1 354.494 3.281 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)CCc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 ZINC000362778971 498552581 /nfs/dbraw/zinc/55/25/81/498552581.db2.gz WRWVXHRGVZCOKP-CTNGQTDRSA-N 1 1 351.425 3.192 20 30 FGEDMO CC[C@H](C[N@H+](CC)CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000578932399 506054401 /nfs/dbraw/zinc/05/44/01/506054401.db2.gz JOFAPPFUDMKJPV-GOSISDBHSA-N 1 1 371.506 3.243 20 30 FGEDMO CC[C@H](C[N@@H+](CC)CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1 ZINC000578932399 506054403 /nfs/dbraw/zinc/05/44/03/506054403.db2.gz JOFAPPFUDMKJPV-GOSISDBHSA-N 1 1 371.506 3.243 20 30 FGEDMO 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C[N@H+]1CC[C@H](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@@H]1c1ccccc1 ZINC000328886194 498973976 /nfs/dbraw/zinc/97/39/76/498973976.db2.gz NUNDCUKBZXWAER-FZTQNYJHSA-N 1 1 370.453 3.201 20 30 FGEDMO C[N@H+]1C[C@H](NC(=O)c2cc3c(c(Cl)c2)OCO3)[C@H](c2ccccc2)C1 ZINC000328910356 498981692 /nfs/dbraw/zinc/98/16/92/498981692.db2.gz FORQIBFOUVZOKE-HOCLYGCPSA-N 1 1 358.825 3.471 20 30 FGEDMO O=C(C[N@H+]1CCC[C@H]1C1CCC1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000328919986 498986404 /nfs/dbraw/zinc/98/64/04/498986404.db2.gz LRZMABHWZAORIA-FQEVSTJZSA-N 1 1 369.509 3.247 20 30 FGEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000328947436 498995374 /nfs/dbraw/zinc/99/53/74/498995374.db2.gz VTMMPFVJOIBHGE-ZWKOTPCHSA-N 1 1 371.525 3.286 20 30 FGEDMO COCCOc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000328955049 498998553 /nfs/dbraw/zinc/99/85/53/498998553.db2.gz YRXLBMMJFAPCKR-HZPDHXFCSA-N 1 1 367.877 3.127 20 30 FGEDMO CC(C)N1C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NCCC3=CCCCC3)CC[C@@H]21 ZINC000329007040 499013766 /nfs/dbraw/zinc/01/37/66/499013766.db2.gz ZDAZXQTXTILGJJ-JQHSSLGASA-N 1 1 362.518 3.303 20 30 FGEDMO CC(C)N1C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NCCC3=CCCCC3)CC[C@@H]21 ZINC000329007040 499013772 /nfs/dbraw/zinc/01/37/72/499013772.db2.gz ZDAZXQTXTILGJJ-JQHSSLGASA-N 1 1 362.518 3.303 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000295455284 499023281 /nfs/dbraw/zinc/02/32/81/499023281.db2.gz YENGGGWBAFMZRI-ZDUSSCGKSA-N 1 1 364.287 3.125 20 30 FGEDMO CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2CCC(=O)c3ccccc32)CC1 ZINC000329074693 499034789 /nfs/dbraw/zinc/03/47/89/499034789.db2.gz ABHUAZQVGVRIEY-SFHVURJKSA-N 1 1 357.498 3.119 20 30 FGEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CC1 ZINC000329076449 499035149 /nfs/dbraw/zinc/03/51/49/499035149.db2.gz CECGROSCZQPIDM-UHFFFAOYSA-N 1 1 372.513 3.287 20 30 FGEDMO Cc1ccc(S(=O)(=O)CCC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000329191616 499067836 /nfs/dbraw/zinc/06/78/36/499067836.db2.gz 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C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000519905285 504379223 /nfs/dbraw/zinc/37/92/23/504379223.db2.gz CESOKWJNVWNCJC-INIZCTEOSA-N 1 1 363.461 3.329 20 30 FGEDMO C=CC[C@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000548299370 504391349 /nfs/dbraw/zinc/39/13/49/504391349.db2.gz JZEAEXAKVFAMQH-QFIPXVFZSA-N 1 1 363.505 3.285 20 30 FGEDMO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(Br)cc1 ZINC000520172819 504426018 /nfs/dbraw/zinc/42/60/18/504426018.db2.gz CNQLOIOWHFDILF-UHFFFAOYSA-N 1 1 372.266 3.069 20 30 FGEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc(Br)cc1 ZINC000520172819 504426022 /nfs/dbraw/zinc/42/60/22/504426022.db2.gz CNQLOIOWHFDILF-UHFFFAOYSA-N 1 1 372.266 3.069 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000535558153 504469723 /nfs/dbraw/zinc/46/97/23/504469723.db2.gz CMNFINJHWLFUMX-PMPSAXMXSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000535558153 504469728 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C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000532685194 504735460 /nfs/dbraw/zinc/73/54/60/504735460.db2.gz ZGPGNKDXOOBFTG-UZGQDQSDSA-N 1 1 368.525 3.492 20 30 FGEDMO Cc1ccnc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1C#N ZINC000543137068 504738476 /nfs/dbraw/zinc/73/84/76/504738476.db2.gz LCKXIDCVOIGKMY-UHFFFAOYSA-N 1 1 356.857 3.116 20 30 FGEDMO N#Cc1csc(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000552868812 504778724 /nfs/dbraw/zinc/77/87/24/504778724.db2.gz IABSKEJAVWMLGK-INIZCTEOSA-N 1 1 351.431 3.474 20 30 FGEDMO CCn1c(C2CCCC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000549344786 504796299 /nfs/dbraw/zinc/79/62/99/504796299.db2.gz HENQNPHEYYMGIR-UHFFFAOYSA-N 1 1 364.497 3.149 20 30 FGEDMO C=CCn1c(-c2ccc(C)c(F)c2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000565131192 504803926 /nfs/dbraw/zinc/80/39/26/504803926.db2.gz UBVOSJCKCMJCNF-KRWDZBQOSA-N 1 1 355.461 3.252 20 30 FGEDMO N#CC1(C[NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000559270711 504815388 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/nfs/dbraw/zinc/25/17/83/505251783.db2.gz IKQAMGOVRXYNME-RBUKOAKNSA-N 1 1 365.481 3.107 20 30 FGEDMO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000554735968 505251910 /nfs/dbraw/zinc/25/19/10/505251910.db2.gz ZUNVUJGXIYHIRM-HXUWFJFHSA-N 1 1 363.505 3.476 20 30 FGEDMO C[C@H](NC(=O)NCc1ccc(C#N)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561465188 505353090 /nfs/dbraw/zinc/35/30/90/505353090.db2.gz OAYJTPGGHBUYPF-RDJZCZTQSA-N 1 1 368.506 3.330 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3conc3Cc3ccccc3)C2)nc1 ZINC000552051938 505383097 /nfs/dbraw/zinc/38/30/97/505383097.db2.gz OTKZDSTYZVHUBC-IBGZPJMESA-N 1 1 360.417 3.185 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3conc3Cc3ccccc3)C2)nc1 ZINC000552051938 505383099 /nfs/dbraw/zinc/38/30/99/505383099.db2.gz OTKZDSTYZVHUBC-IBGZPJMESA-N 1 1 360.417 3.185 20 30 FGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(I)c(Cl)c1 ZINC000558573726 505427460 /nfs/dbraw/zinc/42/74/60/505427460.db2.gz SHJGQYVPOZFOCC-LLVKDONJSA-N 1 1 373.625 3.478 20 30 FGEDMO C=CCOc1ccc(Cc2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000567324917 505428617 /nfs/dbraw/zinc/42/86/17/505428617.db2.gz MIHOYDPBSYFARW-XLIONFOSSA-N 1 1 355.438 3.151 20 30 FGEDMO C=CCOc1ccc(Cc2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)cc1 ZINC000567324917 505428622 /nfs/dbraw/zinc/42/86/22/505428622.db2.gz MIHOYDPBSYFARW-XLIONFOSSA-N 1 1 355.438 3.151 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000555592620 505466593 /nfs/dbraw/zinc/46/65/93/505466593.db2.gz BZODOIGKTHRGAQ-NRFANRHFSA-N 1 1 361.489 3.421 20 30 FGEDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000561930900 505471305 /nfs/dbraw/zinc/47/13/05/505471305.db2.gz ZBSQMOBJLVUPNZ-AWEZNQCLSA-N 1 1 364.287 3.059 20 30 FGEDMO CC(C)[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCCO1 ZINC000552444077 505493309 /nfs/dbraw/zinc/49/33/09/505493309.db2.gz PNTHQFRVLGGEGG-LJQANCHMSA-N 1 1 353.470 3.106 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(N3CCN(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000567658075 505526889 /nfs/dbraw/zinc/52/68/89/505526889.db2.gz JQRREHDKQAZGQB-UHFFFAOYSA-N 1 1 352.829 3.118 20 30 FGEDMO N#Cc1cccc(NC(=O)CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000564883108 505548578 /nfs/dbraw/zinc/54/85/78/505548578.db2.gz QBIVTNUHPRNVRJ-RBBKRZOGSA-N 1 1 374.488 3.093 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000564883108 505548581 /nfs/dbraw/zinc/54/85/81/505548581.db2.gz QBIVTNUHPRNVRJ-RBBKRZOGSA-N 1 1 374.488 3.093 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC000564883108 505548583 /nfs/dbraw/zinc/54/85/83/505548583.db2.gz QBIVTNUHPRNVRJ-RBBKRZOGSA-N 1 1 374.488 3.093 20 30 FGEDMO C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562239168 505548823 /nfs/dbraw/zinc/54/88/23/505548823.db2.gz MEBHZOCCMCEXGJ-MGPUTAFESA-N 1 1 366.421 3.168 20 30 FGEDMO C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562239168 505548826 /nfs/dbraw/zinc/54/88/26/505548826.db2.gz MEBHZOCCMCEXGJ-MGPUTAFESA-N 1 1 366.421 3.168 20 30 FGEDMO COc1cc(OC)c(NC(=O)C[NH+]2CCC(CCC#N)CC2)cc1Cl ZINC000567791148 505563160 /nfs/dbraw/zinc/56/31/60/505563160.db2.gz JAXCOHDYHOAOSV-UHFFFAOYSA-N 1 1 365.861 3.311 20 30 FGEDMO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3Cl)cnc12 ZINC000564988705 505565960 /nfs/dbraw/zinc/56/59/60/505565960.db2.gz BIFRTDOUGDLLBB-QGZVFWFLSA-N 1 1 351.841 3.461 20 30 FGEDMO C[C@@H]1C[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)CCc2ccccc21 ZINC000593090867 506386572 /nfs/dbraw/zinc/38/65/72/506386572.db2.gz KFDBGFORCQNXAA-KDOFPFPSSA-N 1 1 351.475 3.387 20 30 FGEDMO COc1ccc2cc(C[N@@H+](C)C[C@@H](O)CC3(C#N)CCOCC3)ccc2c1 ZINC000599256687 506388492 /nfs/dbraw/zinc/38/84/92/506388492.db2.gz CNGBPGNCNHKXKT-FQEVSTJZSA-N 1 1 368.477 3.352 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@@H+](Cc2ccc(F)cc2F)C2CC2)CCOCC1 ZINC000599265104 506390632 /nfs/dbraw/zinc/39/06/32/506390632.db2.gz RCLKQVJPMMOHAD-QGZVFWFLSA-N 1 1 350.409 3.001 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000588978175 506402451 /nfs/dbraw/zinc/40/24/51/506402451.db2.gz NUOYHVZHAGPVGD-SJLPKXTDSA-N 1 1 355.482 3.452 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599300226 506403280 /nfs/dbraw/zinc/40/32/80/506403280.db2.gz NXDFVYHOVKBTIN-MRXNPFEDSA-N 1 1 367.415 3.490 20 30 FGEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599307787 506405683 /nfs/dbraw/zinc/40/56/83/506405683.db2.gz ZMTIIKUVUUJDEW-NHCUHLMSSA-N 1 1 356.510 3.403 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000596461742 506417973 /nfs/dbraw/zinc/41/79/73/506417973.db2.gz JOJFKLSHHBCTPD-SFHVURJKSA-N 1 1 350.422 3.220 20 30 FGEDMO N#Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccn1 ZINC000603132591 506431647 /nfs/dbraw/zinc/43/16/47/506431647.db2.gz TUFYLJBUDMDXHT-AWEZNQCLSA-N 1 1 355.467 3.048 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000603142266 506436195 /nfs/dbraw/zinc/43/61/95/506436195.db2.gz JASHIBAABLGMFQ-UHFFFAOYSA-N 1 1 369.425 3.272 20 30 FGEDMO Cc1ccc([C@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000599400775 506442799 /nfs/dbraw/zinc/44/27/99/506442799.db2.gz XUGUICCMTBFXIZ-OXQOHEQNSA-N 1 1 356.491 3.439 20 30 FGEDMO C[C@]1(C#N)CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000612117077 506445009 /nfs/dbraw/zinc/44/50/09/506445009.db2.gz QBAWIPPOJYYYAQ-QFBILLFUSA-N 1 1 360.527 3.295 20 30 FGEDMO CCc1ccc([C@H]2CCC[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)cc1 ZINC000599417692 506447553 /nfs/dbraw/zinc/44/75/53/506447553.db2.gz OQHIYZHLANXXMG-LEWJYISDSA-N 1 1 356.510 3.500 20 30 FGEDMO COc1ccc2ncc(C#N)c(NC[C@@H]3CCC[N@@H+](CC4CC4)C3)c2c1 ZINC000596569642 506465822 /nfs/dbraw/zinc/46/58/22/506465822.db2.gz ARSLJFQTVOIVDY-INIZCTEOSA-N 1 1 350.466 3.071 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000593224263 506478148 /nfs/dbraw/zinc/47/81/48/506478148.db2.gz DDSVCBFWWYZNBD-BZSNNMDCSA-N 1 1 362.477 3.385 20 30 FGEDMO N#Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ncc1Br ZINC000603317082 506483449 /nfs/dbraw/zinc/48/34/49/506483449.db2.gz FZISKMOSHIAQSL-WBMJQRKESA-N 1 1 361.287 3.169 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@](C)(C#N)C3)cc2)C[C@@H](C)O1 ZINC000612237033 506492321 /nfs/dbraw/zinc/49/23/21/506492321.db2.gz LIVWDGBKVCZLED-CBGDNZLLSA-N 1 1 355.482 3.062 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000589272851 506503515 /nfs/dbraw/zinc/50/35/15/506503515.db2.gz KAVUUFGSUFCOHX-BONVTDFDSA-N 1 1 370.280 3.434 20 30 FGEDMO Cc1nsc(N2CC[NH+](CCCOc3ccc(F)cc3)CC2)c1C#N ZINC000589286699 506506848 /nfs/dbraw/zinc/50/68/48/506506848.db2.gz SCNLMBGVQYUXSV-UHFFFAOYSA-N 1 1 360.458 3.053 20 30 FGEDMO C[C@@]1(NC(=O)NCCc2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000596668967 506521632 /nfs/dbraw/zinc/52/16/32/506521632.db2.gz DBEZAENWPWMVSS-JOCHJYFZSA-N 1 1 362.477 3.065 20 30 FGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000589349236 506524517 /nfs/dbraw/zinc/52/45/17/506524517.db2.gz WNIHRZOUHAKYMK-HNNXBMFYSA-N 1 1 352.413 3.436 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000589349236 506524522 /nfs/dbraw/zinc/52/45/22/506524522.db2.gz WNIHRZOUHAKYMK-HNNXBMFYSA-N 1 1 352.413 3.436 20 30 FGEDMO CCOCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCc2ccccc21 ZINC000599625130 506536517 /nfs/dbraw/zinc/53/65/17/506536517.db2.gz GCOGVLPVAZIRJF-TZIWHRDSSA-N 1 1 372.509 3.084 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC2(C#N)CCCC2)cc1F ZINC000593320490 506538165 /nfs/dbraw/zinc/53/81/65/506538165.db2.gz SLEFODWXOUMGND-UHFFFAOYSA-N 1 1 355.417 3.203 20 30 FGEDMO C[C@@H](CC#N)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000596692585 506541455 /nfs/dbraw/zinc/54/14/55/506541455.db2.gz BGYKCIXVZAGENK-AWEZNQCLSA-N 1 1 353.388 3.289 20 30 FGEDMO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589457523 506555630 /nfs/dbraw/zinc/55/56/30/506555630.db2.gz MRBVMOHPMDCKES-FZKQIMNGSA-N 1 1 372.831 3.169 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)c2cccc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000589457523 506555638 /nfs/dbraw/zinc/55/56/38/506555638.db2.gz MRBVMOHPMDCKES-FZKQIMNGSA-N 1 1 372.831 3.169 20 30 FGEDMO COc1cc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)ccc1OCc1cccc(C#N)c1 ZINC000599669051 506567555 /nfs/dbraw/zinc/56/75/55/506567555.db2.gz AWQMQNQHHIEASU-BGYRXZFFSA-N 1 1 366.461 3.349 20 30 FGEDMO N#Cc1cccc2c1CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C2 ZINC000593366549 506578701 /nfs/dbraw/zinc/57/87/01/506578701.db2.gz RZYLKXNGAHBCEA-FQEVSTJZSA-N 1 1 363.486 3.191 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1(C#N)CCCC1 ZINC000593370481 506580487 /nfs/dbraw/zinc/58/04/87/506580487.db2.gz LUBMQUCNVIKZEV-HKUYNNGSSA-N 1 1 354.498 3.280 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000603629618 506581820 /nfs/dbraw/zinc/58/18/20/506581820.db2.gz KZIGREAZOUPMGL-VWKPWSFCSA-N 1 1 368.481 3.450 20 30 FGEDMO COC(=O)C1C[C@H](C)[NH+](Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000599695261 506585969 /nfs/dbraw/zinc/58/59/69/506585969.db2.gz KOFZYRBGYRWOKM-RYUDHWBXSA-N 1 1 365.271 3.483 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCC1(C#N)CCCC1)C1CC1 ZINC000593394421 506596950 /nfs/dbraw/zinc/59/69/50/506596950.db2.gz HMZXMINMGHKPJQ-LJQANCHMSA-N 1 1 354.498 3.280 20 30 FGEDMO COc1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(F)cc1C#N ZINC000599814052 506652129 /nfs/dbraw/zinc/65/21/29/506652129.db2.gz SFHLPIBCIFQPCC-QFBILLFUSA-N 1 1 368.412 3.273 20 30 FGEDMO COCC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C)cc1C ZINC000603894841 506652597 /nfs/dbraw/zinc/65/25/97/506652597.db2.gz ZSEBKURIDPLDMZ-UHFFFAOYSA-N 1 1 351.450 3.262 20 30 FGEDMO COCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C)cc1C ZINC000603894841 506652601 /nfs/dbraw/zinc/65/26/01/506652601.db2.gz ZSEBKURIDPLDMZ-UHFFFAOYSA-N 1 1 351.450 3.262 20 30 FGEDMO C[C@H]1CN(C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC[N@H+](C2CCC2)C1 ZINC000589923442 506679199 /nfs/dbraw/zinc/67/91/99/506679199.db2.gz FTELEMWMJNDITG-QRWLVFNGSA-N 1 1 352.482 3.061 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2CC(=O)OC)cc1OC ZINC000600124581 506788710 /nfs/dbraw/zinc/78/87/10/506788710.db2.gz NTQWVSYBGXWRMW-CQSZACIVSA-N 1 1 353.846 3.441 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1(C)C ZINC000583466994 506793036 /nfs/dbraw/zinc/79/30/36/506793036.db2.gz HBLQIEFETILALZ-UHFFFAOYSA-N 1 1 363.461 3.303 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000609195090 506810080 /nfs/dbraw/zinc/81/00/80/506810080.db2.gz YWUAAJFKLUQCRZ-UHFFFAOYSA-N 1 1 369.415 3.332 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000609204481 506812944 /nfs/dbraw/zinc/81/29/44/506812944.db2.gz RBOMBRXSPPTKOT-AZUAARDMSA-N 1 1 354.425 3.121 20 30 FGEDMO Cc1nc(SCC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C#N)c(C)c1C ZINC000604440504 506834069 /nfs/dbraw/zinc/83/40/69/506834069.db2.gz FHKKSKHNRGKDNQ-ZIAGYGMSSA-N 1 1 374.554 3.207 20 30 FGEDMO COc1ccc(-c2nc(Cc3noc([C@@H]([NH3+])CCCCC#N)n3)co2)cc1 ZINC000593943343 506840316 /nfs/dbraw/zinc/84/03/16/506840316.db2.gz MJTTUYMPDYZZLE-INIZCTEOSA-N 1 1 367.409 3.408 20 30 FGEDMO C[C@H]1C[C@@H](N(C)C(=O)CC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000597278748 506875311 /nfs/dbraw/zinc/87/53/11/506875311.db2.gz SEYMXHJPHJSXGQ-ICSRJNTNSA-N 1 1 369.509 3.208 20 30 FGEDMO CCc1csc(CC2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)n1 ZINC000594019453 506886645 /nfs/dbraw/zinc/88/66/45/506886645.db2.gz LHTAUXWIHFPGFD-UHFFFAOYSA-N 1 1 374.554 3.303 20 30 FGEDMO C[N@H+](CCOc1ccccc1C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000609493519 506900070 /nfs/dbraw/zinc/90/00/70/506900070.db2.gz BUCBOJRQNMPBRG-GOSISDBHSA-N 1 1 369.852 3.328 20 30 FGEDMO C[N@@H+](CCOc1ccccc1C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000609493519 506900080 /nfs/dbraw/zinc/90/00/80/506900080.db2.gz BUCBOJRQNMPBRG-GOSISDBHSA-N 1 1 369.852 3.328 20 30 FGEDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)N[C@@H](C#N)C4CCCCC4)cc3c2C1 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VDZSKGLXHAGTTH-SFTDATJTSA-N 1 1 358.505 3.271 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583716818 506931046 /nfs/dbraw/zinc/93/10/46/506931046.db2.gz QCQBJWPBLNQEQF-AWEZNQCLSA-N 1 1 373.403 3.312 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583716818 506931053 /nfs/dbraw/zinc/93/10/53/506931053.db2.gz QCQBJWPBLNQEQF-AWEZNQCLSA-N 1 1 373.403 3.312 20 30 FGEDMO CC(C)Oc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000594083521 506931514 /nfs/dbraw/zinc/93/15/14/506931514.db2.gz KDTXUFXMTLMNQO-ROUUACIJSA-N 1 1 356.470 3.484 20 30 FGEDMO C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000613213056 506974895 /nfs/dbraw/zinc/97/48/95/506974895.db2.gz NSJFHCFWJHGYBD-LLGFUMIMSA-N 1 1 362.477 3.439 20 30 FGEDMO N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594215824 507015832 /nfs/dbraw/zinc/01/58/32/507015832.db2.gz RFXNOTRMYREUNG-MOPGFXCFSA-N 1 1 372.538 3.108 20 30 FGEDMO C=CCCOCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000597661406 507050409 /nfs/dbraw/zinc/05/04/09/507050409.db2.gz OFSBUUOLQXHCFI-GOSISDBHSA-N 1 1 350.890 3.403 20 30 FGEDMO C=CCCOCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000597661406 507050414 /nfs/dbraw/zinc/05/04/14/507050414.db2.gz OFSBUUOLQXHCFI-GOSISDBHSA-N 1 1 350.890 3.403 20 30 FGEDMO Cc1nsc(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1C#N ZINC000590966574 507065036 /nfs/dbraw/zinc/06/50/36/507065036.db2.gz RYJAFONHORJSCN-OAHLLOKOSA-N 1 1 355.467 3.061 20 30 FGEDMO C=C[C@H](O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000613410801 507074609 /nfs/dbraw/zinc/07/46/09/507074609.db2.gz DXJUAYKBPMIVHQ-OWCLPIDISA-N 1 1 354.853 3.056 20 30 FGEDMO C=C[C@H](O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000613410801 507074613 /nfs/dbraw/zinc/07/46/13/507074613.db2.gz DXJUAYKBPMIVHQ-OWCLPIDISA-N 1 1 354.853 3.056 20 30 FGEDMO CC(C)(C)c1ccc(C#N)c(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000613425589 507081422 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HJOJRGBXJAHKJJ-KNQAVFIVSA-N 1 1 351.494 3.236 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000598195766 507308123 /nfs/dbraw/zinc/30/81/23/507308123.db2.gz RQIITADZKNFOFF-KRWDZBQOSA-N 1 1 369.415 3.225 20 30 FGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610676949 507342266 /nfs/dbraw/zinc/34/22/66/507342266.db2.gz HIMSFIFLPWSDLB-RBBKRZOGSA-N 1 1 350.462 3.156 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000610676967 507343286 /nfs/dbraw/zinc/34/32/86/507343286.db2.gz KRLYUUUWYSLCEP-AZUAARDMSA-N 1 1 354.425 3.121 20 30 FGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610676947 507343462 /nfs/dbraw/zinc/34/34/62/507343462.db2.gz HIMSFIFLPWSDLB-IFMALSPDSA-N 1 1 350.462 3.156 20 30 FGEDMO C[C@H]1C[C@@H](CCNC(=O)C2(C#N)CC3(CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000601366599 507346234 /nfs/dbraw/zinc/34/62/34/507346234.db2.gz MCYVYVXUUPQDSJ-PKOBYXMFSA-N 1 1 351.494 3.487 20 30 FGEDMO 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363.461 3.051 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592182511 507527008 /nfs/dbraw/zinc/52/70/08/507527008.db2.gz CCAHYQMHEDICNY-MSOLQXFVSA-N 1 1 355.482 3.213 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c(-c2ccccc2)n1 ZINC000601968837 507533823 /nfs/dbraw/zinc/53/38/23/507533823.db2.gz HZRKMKOVHKJHTB-QGZVFWFLSA-N 1 1 360.408 3.320 20 30 FGEDMO COc1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)ccc1OCc1cccc(C#N)c1 ZINC000601974062 507534540 /nfs/dbraw/zinc/53/45/40/507534540.db2.gz NCSHWOVJLWZYEZ-BGYRXZFFSA-N 1 1 364.445 3.224 20 30 FGEDMO N#CC1(c2ccc(C[NH2+][C@H]3CS(=O)(=O)Cc4ccccc43)cc2)CC1 ZINC000598677605 507549695 /nfs/dbraw/zinc/54/96/95/507549695.db2.gz PZBWCVMGCLNYSE-IBGZPJMESA-N 1 1 352.459 3.001 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c(C(F)(F)F)c1 ZINC000595549638 507555890 /nfs/dbraw/zinc/55/58/90/507555890.db2.gz ULXOYGOMKGQBDC-IBGZPJMESA-N 1 1 373.378 3.206 20 30 FGEDMO C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611514 507589570 /nfs/dbraw/zinc/58/95/70/507589570.db2.gz KFTOAPXYDGNFMT-CVEARBPZSA-N 1 1 363.889 3.191 20 30 FGEDMO C=CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H](C)COC ZINC000595647373 507611935 /nfs/dbraw/zinc/61/19/35/507611935.db2.gz PDSBPSGEZOHIRE-MRXNPFEDSA-N 1 1 363.889 3.418 20 30 FGEDMO C=CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H](C)COC ZINC000595647373 507611938 /nfs/dbraw/zinc/61/19/38/507611938.db2.gz PDSBPSGEZOHIRE-MRXNPFEDSA-N 1 1 363.889 3.418 20 30 FGEDMO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(OC)c1 ZINC000595685407 507628123 /nfs/dbraw/zinc/62/81/23/507628123.db2.gz XVZLITCONDMYAX-SFHVURJKSA-N 1 1 373.840 3.136 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688943 507629555 /nfs/dbraw/zinc/62/95/55/507629555.db2.gz LDBKEUILHXLVGW-YSGRDPCXSA-N 1 1 373.522 3.235 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688943 507629561 /nfs/dbraw/zinc/62/95/61/507629561.db2.gz LDBKEUILHXLVGW-YSGRDPCXSA-N 1 1 373.522 3.235 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2c(C#N)c(C)nn2-c2ccccc2)C[C@@H]1C ZINC000611348512 507634108 /nfs/dbraw/zinc/63/41/08/507634108.db2.gz ZHSJYMVSCGWYOW-QFBILLFUSA-N 1 1 351.498 3.357 20 30 FGEDMO C[C@@H](c1ccccn1)[NH+]1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595727035 507650284 /nfs/dbraw/zinc/65/02/84/507650284.db2.gz VNPJRMKNTPDXKZ-INIZCTEOSA-N 1 1 358.449 3.227 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595750475 507664968 /nfs/dbraw/zinc/66/49/68/507664968.db2.gz NDHMHVLRDDAJFE-FOIQADDNSA-N 1 1 373.522 3.114 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595750475 507664970 /nfs/dbraw/zinc/66/49/70/507664970.db2.gz NDHMHVLRDDAJFE-FOIQADDNSA-N 1 1 373.522 3.114 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595750875 507665181 /nfs/dbraw/zinc/66/51/81/507665181.db2.gz PGVVGQPNHHTIQA-QRWLVFNGSA-N 1 1 373.522 3.256 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595750875 507665186 /nfs/dbraw/zinc/66/51/86/507665186.db2.gz PGVVGQPNHHTIQA-QRWLVFNGSA-N 1 1 373.522 3.256 20 30 FGEDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)cc1 ZINC000592501542 507683194 /nfs/dbraw/zinc/68/31/94/507683194.db2.gz YZLBRSUUFAZYIG-QGZVFWFLSA-N 1 1 361.449 3.064 20 30 FGEDMO N#Cc1ccc(CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C2CC2)cc1 ZINC000602372973 507686430 /nfs/dbraw/zinc/68/64/30/507686430.db2.gz BQFNRECLNWZIDP-HXUWFJFHSA-N 1 1 352.482 3.249 20 30 FGEDMO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H]3Cc3cc(F)ccc3F)cnc12 ZINC000592516396 507690451 /nfs/dbraw/zinc/69/04/51/507690451.db2.gz MTZLBKIWIFLQMP-QGZVFWFLSA-N 1 1 353.376 3.086 20 30 FGEDMO COc1cc(OC)c2ncc(C#N)c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000587309642 507708646 /nfs/dbraw/zinc/70/86/46/507708646.db2.gz HSWDNBZSDAQHIW-LSDHHAIUSA-N 1 1 352.438 3.162 20 30 FGEDMO N#Cc1ccccc1-c1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595863196 507719353 /nfs/dbraw/zinc/71/93/53/507719353.db2.gz KUPKGJPKMXOJQD-QFIPXVFZSA-N 1 1 361.489 3.256 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](CCc3ccc(C#N)cc3)C2)s1 ZINC000595912372 507738277 /nfs/dbraw/zinc/73/82/77/507738277.db2.gz KQEOQOWNMFUIPF-MRXNPFEDSA-N 1 1 355.463 3.223 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1C#N ZINC000615234989 507781375 /nfs/dbraw/zinc/78/13/75/507781375.db2.gz KLIXPJFKVMFZCU-NRFANRHFSA-N 1 1 350.466 3.443 20 30 FGEDMO C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)c1ncnn1C ZINC000328607709 525918500 /nfs/dbraw/zinc/91/85/00/525918500.db2.gz WROGXWWGVCGISO-XAUMDUMWSA-N 1 1 353.470 3.135 20 30 FGEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735426622 598617783 /nfs/dbraw/zinc/61/77/83/598617783.db2.gz SZTIAGBHTPLZPQ-OAQYLSRUSA-N 1 1 374.492 3.129 20 30 FGEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000735426622 598617785 /nfs/dbraw/zinc/61/77/85/598617785.db2.gz SZTIAGBHTPLZPQ-OAQYLSRUSA-N 1 1 374.492 3.129 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000735426622 598617787 /nfs/dbraw/zinc/61/77/87/598617787.db2.gz SZTIAGBHTPLZPQ-OAQYLSRUSA-N 1 1 374.492 3.129 20 30 FGEDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000825318110 607483564 /nfs/dbraw/zinc/48/35/64/607483564.db2.gz ISKPNQTUFYGXOO-UHFFFAOYSA-N 1 1 362.437 3.159 20 30 FGEDMO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(F)ccc1C#N ZINC000821104503 607058190 /nfs/dbraw/zinc/05/81/90/607058190.db2.gz GONWEKUNAZZJAK-UHFFFAOYSA-N 1 1 350.401 3.290 20 30 FGEDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(F)ccc1C#N ZINC000821104503 607058191 /nfs/dbraw/zinc/05/81/91/607058191.db2.gz GONWEKUNAZZJAK-UHFFFAOYSA-N 1 1 350.401 3.290 20 30 FGEDMO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000826169568 608367326 /nfs/dbraw/zinc/36/73/26/608367326.db2.gz XAWFCITULCRSHR-RTBURBONSA-N 1 1 374.448 3.147 20 30 FGEDMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000826169568 608367327 /nfs/dbraw/zinc/36/73/27/608367327.db2.gz XAWFCITULCRSHR-RTBURBONSA-N 1 1 374.448 3.147 20 30 FGEDMO C#CCOc1ccc(Br)cc1CNCC[NH+]1CCCCC1 ZINC000047888555 695870031 /nfs/dbraw/zinc/87/00/31/695870031.db2.gz GQNPJRXRGVBVGT-UHFFFAOYSA-N 1 1 351.288 3.037 20 30 FGEDMO C=C(Br)CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000069117404 695947367 /nfs/dbraw/zinc/94/73/67/695947367.db2.gz XJUFDDOWCGTCEY-UHFFFAOYSA-N 1 1 354.292 3.235 20 30 FGEDMO C=CCn1c(C)nn(CN2CCC[N@@H+](Cc3ccccc3)CC2)c1=S ZINC000073136360 695966481 /nfs/dbraw/zinc/96/64/81/695966481.db2.gz QPSXHBXKECUBPC-UHFFFAOYSA-N 1 1 357.527 3.074 20 30 FGEDMO C=C(Br)CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000073208122 695966900 /nfs/dbraw/zinc/96/69/00/695966900.db2.gz XEYGVQWDFKVXKQ-CABCVRRESA-N 1 1 358.324 3.191 20 30 FGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000121677675 700677790 /nfs/dbraw/zinc/67/77/90/700677790.db2.gz ULHXQWZSJMYBBI-PMACEKPBSA-N 1 1 355.869 3.256 20 30 FGEDMO CCCCCCCCc1nnc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)s1 ZINC000122131444 700684803 /nfs/dbraw/zinc/68/48/03/700684803.db2.gz MHBUXLRCUNRYPH-HNNXBMFYSA-N 1 1 367.563 3.016 20 30 FGEDMO CC(C)CC(N)=[NH+]OCC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000151308038 704917994 /nfs/dbraw/zinc/91/79/94/704917994.db2.gz IMVCIGVHMIQPKG-NSHDSACASA-N 1 1 361.364 3.097 20 30 FGEDMO Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC(c3nccs3)CC1)CCC2 ZINC000328666488 713825209 /nfs/dbraw/zinc/82/52/09/713825209.db2.gz ZZOBGKKMSFCOAW-HNNXBMFYSA-N 1 1 359.499 3.319 20 30 FGEDMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OCC(F)F ZINC000328769456 713825756 /nfs/dbraw/zinc/82/57/56/713825756.db2.gz QQJWAPPVUWLOFH-CABCVRRESA-N 1 1 353.413 3.401 20 30 FGEDMO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCCCC2 ZINC000521938271 714158050 /nfs/dbraw/zinc/15/80/50/714158050.db2.gz WCWMCZXNHKPPHC-INIZCTEOSA-N 1 1 361.511 3.019 20 30 FGEDMO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCCCC2 ZINC000521938271 714158051 /nfs/dbraw/zinc/15/80/51/714158051.db2.gz WCWMCZXNHKPPHC-INIZCTEOSA-N 1 1 361.511 3.019 20 30 FGEDMO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccnc(N(C)C)n2)cc1OC ZINC000623484245 715345877 /nfs/dbraw/zinc/34/58/77/715345877.db2.gz KTZNQLDNFKITPK-UHFFFAOYSA-N 1 1 362.861 3.059 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000779154610 724396383 /nfs/dbraw/zinc/39/63/83/724396383.db2.gz YJWLRBFMJGXMCH-MRXNPFEDSA-N 1 1 360.885 3.090 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)cc1OC ZINC000628254001 716130784 /nfs/dbraw/zinc/13/07/84/716130784.db2.gz HTWBLAKRQCARER-HNNXBMFYSA-N 1 1 368.905 3.066 20 30 FGEDMO N#Cc1ncc(Cl)nc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621133 719064895 /nfs/dbraw/zinc/06/48/95/719064895.db2.gz HJBDFJQDLXFCOJ-RDJZCZTQSA-N 1 1 353.857 3.102 20 30 FGEDMO CSc1nc(-c2ccccc2)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1C#N ZINC001164637198 719215043 /nfs/dbraw/zinc/21/50/43/719215043.db2.gz LQQWFJBVHMNBNR-KBPBESRZSA-N 1 1 353.495 3.266 20 30 FGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(C)C)ccc1C#N)C2 ZINC001164806347 720079244 /nfs/dbraw/zinc/07/92/44/720079244.db2.gz BPAKAAYMCYAMSX-KNQAVFIVSA-N 1 1 368.525 3.261 20 30 FGEDMO C=CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H](C)COC ZINC000661249029 720215542 /nfs/dbraw/zinc/21/55/42/720215542.db2.gz XZWAMPPXLZPDCE-OXJNMPFZSA-N 1 1 358.507 3.477 20 30 FGEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H](C)COC ZINC000661249029 720215548 /nfs/dbraw/zinc/21/55/48/720215548.db2.gz XZWAMPPXLZPDCE-OXJNMPFZSA-N 1 1 358.507 3.477 20 30 FGEDMO C=CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1SC)C(C)(C)C ZINC000661754899 720314662 /nfs/dbraw/zinc/31/46/62/720314662.db2.gz GECOQVDSYGPIKJ-UHFFFAOYSA-N 1 1 363.527 3.092 20 30 FGEDMO C=CCOCCCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000661796213 720320516 /nfs/dbraw/zinc/32/05/16/720320516.db2.gz QSSCEAYIWXEFIN-UHFFFAOYSA-N 1 1 365.905 3.150 20 30 FGEDMO C=CCOCCCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000661796213 720320522 /nfs/dbraw/zinc/32/05/22/720320522.db2.gz QSSCEAYIWXEFIN-UHFFFAOYSA-N 1 1 365.905 3.150 20 30 FGEDMO Cc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)cc1C#N ZINC001164732287 720479043 /nfs/dbraw/zinc/47/90/43/720479043.db2.gz ZABIKJSYJFNPER-ZWKOTPCHSA-N 1 1 353.857 3.163 20 30 FGEDMO Cc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)cc1C#N ZINC001164732287 720479050 /nfs/dbraw/zinc/47/90/50/720479050.db2.gz ZABIKJSYJFNPER-ZWKOTPCHSA-N 1 1 353.857 3.163 20 30 FGEDMO N#Cc1ccc2ccnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164781044 721405687 /nfs/dbraw/zinc/40/56/87/721405687.db2.gz AJYXYTRHPZOCJP-IRXDYDNUSA-N 1 1 361.474 3.131 20 30 FGEDMO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669804371 721487845 /nfs/dbraw/zinc/48/78/45/721487845.db2.gz CPFNEUKQWOKBMR-CYBMUJFWSA-N 1 1 363.868 3.454 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676476977 721806566 /nfs/dbraw/zinc/80/65/66/721806566.db2.gz DFCXZUBSZRSRAE-IAGOWNOFSA-N 1 1 358.511 3.185 20 30 FGEDMO Cc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C#N ZINC001165026433 721810677 /nfs/dbraw/zinc/81/06/77/721810677.db2.gz QFTBSBQRIURVAG-DSKINZAPSA-N 1 1 361.493 3.394 20 30 FGEDMO Cc1ccc2nc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c(C#N)c(Cl)c2c1 ZINC001165043508 721926835 /nfs/dbraw/zinc/92/68/35/721926835.db2.gz KTMCPMZNZPQTTQ-HNNXBMFYSA-N 1 1 370.884 3.369 20 30 FGEDMO N#Cc1c(Cl)ncnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164992729 722195928 /nfs/dbraw/zinc/19/59/28/722195928.db2.gz AVKVQMAKDNDDMK-IBGZPJMESA-N 1 1 371.847 3.386 20 30 FGEDMO Cc1nc(C#N)cnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995998 722205903 /nfs/dbraw/zinc/20/59/03/722205903.db2.gz RGILMJVAAOQTMT-HXUWFJFHSA-N 1 1 351.429 3.041 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000727170680 722442038 /nfs/dbraw/zinc/44/20/38/722442038.db2.gz YPDUVGQOEIVLEO-OAHLLOKOSA-N 1 1 358.511 3.249 20 30 FGEDMO Cc1[nH+]ccn1CCCC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000727647290 722445988 /nfs/dbraw/zinc/44/59/88/722445988.db2.gz YCMNJXVDXYGSQB-OAHLLOKOSA-N 1 1 361.243 3.115 20 30 FGEDMO C[S@@](=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000754166087 722930418 /nfs/dbraw/zinc/93/04/18/722930418.db2.gz DORYKZXSJYTKCN-BXKMTCNYSA-N 1 1 362.882 3.452 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000754703395 722944652 /nfs/dbraw/zinc/94/46/52/722944652.db2.gz PTJQGRPVNCUXHD-CYBMUJFWSA-N 1 1 350.447 3.135 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1sc2cccc(F)c2c1COC ZINC000756553482 722966751 /nfs/dbraw/zinc/96/67/51/722966751.db2.gz UFGCJETVIHAOSG-ZDUSSCGKSA-N 1 1 361.438 3.441 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1sc2cccc(F)c2c1COC ZINC000756553482 722966752 /nfs/dbraw/zinc/96/67/52/722966752.db2.gz UFGCJETVIHAOSG-ZDUSSCGKSA-N 1 1 361.438 3.441 20 30 FGEDMO C#CC[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000756911017 722971819 /nfs/dbraw/zinc/97/18/19/722971819.db2.gz HGOIMVLGOYZGRK-UHFFFAOYSA-N 1 1 354.372 3.079 20 30 FGEDMO CCOCCC[N@H+]1CCC(N=Nc2cncc(Br)c2)[C@@H](C)C1 ZINC000758129918 722984830 /nfs/dbraw/zinc/98/48/30/722984830.db2.gz MIGRBEKYNLMZCM-ZDUSSCGKSA-N 1 1 369.307 3.380 20 30 FGEDMO C=C(C)C[N@H+](C)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790442128 723140540 /nfs/dbraw/zinc/14/05/40/723140540.db2.gz LPEPKVWHTADAMT-UHFFFAOYSA-N 1 1 352.232 3.051 20 30 FGEDMO C[C@H]1CC(N=Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[N@H+]1C ZINC000761793638 723184492 /nfs/dbraw/zinc/18/44/92/723184492.db2.gz NPLAAJFVEZDHRH-ZETCQYMHSA-N 1 1 361.280 3.014 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000795141467 723567308 /nfs/dbraw/zinc/56/73/08/723567308.db2.gz ZVRPWRUCJBDKMA-SFHVURJKSA-N 1 1 363.575 3.201 20 30 FGEDMO C#CCCN(CC(F)(F)F)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000767166912 723609335 /nfs/dbraw/zinc/60/93/35/723609335.db2.gz QUWLXICVTVFORK-UHFFFAOYSA-N 1 1 373.444 3.078 20 30 FGEDMO C[C@@H]1CC(=NNC(=S)Nc2ccccn2)C[N@@H+](Cc2ccccc2)C1 ZINC000767388696 723617254 /nfs/dbraw/zinc/61/72/54/723617254.db2.gz VKXPQAKETXAPCZ-OAHLLOKOSA-N 1 1 353.495 3.266 20 30 FGEDMO C[C@@H]1CC(=NNC(=S)Nc2ccccn2)C[N@H+](Cc2ccccc2)C1 ZINC000767388696 723617256 /nfs/dbraw/zinc/61/72/56/723617256.db2.gz VKXPQAKETXAPCZ-OAHLLOKOSA-N 1 1 353.495 3.266 20 30 FGEDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000767669799 723627742 /nfs/dbraw/zinc/62/77/42/723627742.db2.gz KLDCKZIWEUGYHH-UHFFFAOYSA-N 1 1 351.878 3.273 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000796594564 723645548 /nfs/dbraw/zinc/64/55/48/723645548.db2.gz KYZYOJKTQPLPCG-CALCHBBNSA-N 1 1 360.885 3.490 20 30 FGEDMO CCOCCC[N@H+]1CCC(N=Nc2ccnc(Br)c2)[C@@H](C)C1 ZINC000769797841 723695940 /nfs/dbraw/zinc/69/59/40/723695940.db2.gz DDLFBLVJTXAJSU-ZDUSSCGKSA-N 1 1 369.307 3.380 20 30 FGEDMO C#CC[N@H+](Cc1cccc(NS(C)(=O)=O)c1)[C@H]1CCc2ccccc21 ZINC000772599112 723763436 /nfs/dbraw/zinc/76/34/36/723763436.db2.gz NLTLSKJNUXVLCB-FQEVSTJZSA-N 1 1 354.475 3.181 20 30 FGEDMO CC1(C)CCCC[C@H]1N[NH+]=Cc1c(Cl)nc(N)nc1N1CCCC1 ZINC000773126993 723777248 /nfs/dbraw/zinc/77/72/48/723777248.db2.gz XRRBJTPRYGBYGY-CYBMUJFWSA-N 1 1 350.898 3.205 20 30 FGEDMO C=CCn1nnn(CN2CCC(CC[N@H+](CC)CC(C)C)CC2)c1=S ZINC000773273595 723780956 /nfs/dbraw/zinc/78/09/56/723780956.db2.gz ZOKUNBITJICMFK-UHFFFAOYSA-N 1 1 366.579 3.033 20 30 FGEDMO C#C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000773587255 723803374 /nfs/dbraw/zinc/80/33/74/723803374.db2.gz KZVFRZUAECCNQR-CRAIPNDOSA-N 1 1 353.491 3.168 20 30 FGEDMO C#C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000773587255 723803376 /nfs/dbraw/zinc/80/33/76/723803376.db2.gz KZVFRZUAECCNQR-CRAIPNDOSA-N 1 1 353.491 3.168 20 30 FGEDMO C[C@@H]1CCOCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000775569076 724001017 /nfs/dbraw/zinc/00/10/17/724001017.db2.gz LLKIHGBUDKADGQ-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO C#C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000775790989 724061661 /nfs/dbraw/zinc/06/16/61/724061661.db2.gz RPAZZJFBDKPZGR-UONOGXRCSA-N 1 1 360.763 3.068 20 30 FGEDMO C#CCC[NH+]1CCN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000776592567 724162892 /nfs/dbraw/zinc/16/28/92/724162892.db2.gz JMNIAGKZHZTWRE-UHFFFAOYSA-N 1 1 365.264 3.184 20 30 FGEDMO C#CCCNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000776911760 724195458 /nfs/dbraw/zinc/19/54/58/724195458.db2.gz ITGOZOZPSPRWRJ-IAGOWNOFSA-N 1 1 351.853 3.325 20 30 FGEDMO C#CCCNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000776911760 724195460 /nfs/dbraw/zinc/19/54/60/724195460.db2.gz ITGOZOZPSPRWRJ-IAGOWNOFSA-N 1 1 351.853 3.325 20 30 FGEDMO N#CC1(NC(=O)c2scnc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000778112105 724298525 /nfs/dbraw/zinc/29/85/25/724298525.db2.gz CGNVEGSXJRGQOL-UHFFFAOYSA-N 1 1 360.870 3.085 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000801931252 724347089 /nfs/dbraw/zinc/34/70/89/724347089.db2.gz VNJIIRGHDZBATR-BRWVUGGUSA-N 1 1 351.491 3.169 20 30 FGEDMO N#Cc1ccc(OCC[NH2+]Cc2nc3ccccn3c2Br)cc1 ZINC000809622274 725253112 /nfs/dbraw/zinc/25/31/12/725253112.db2.gz GHAHVWDHHMRXTA-UHFFFAOYSA-N 1 1 371.238 3.137 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC([N@H+](Cc2nc(C#N)cs2)C2CC2)CC1 ZINC000811455756 725366283 /nfs/dbraw/zinc/36/62/83/725366283.db2.gz SNJCOYCRNYXUMF-UHFFFAOYSA-N 1 1 362.499 3.379 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2nc(C#N)cs2)C2CC2)CC1 ZINC000811455756 725366284 /nfs/dbraw/zinc/36/62/84/725366284.db2.gz SNJCOYCRNYXUMF-UHFFFAOYSA-N 1 1 362.499 3.379 20 30 FGEDMO CC(C)OCCO[NH+]=Cc1ccc(Br)cc1N1CCOCC1 ZINC000812239070 725391406 /nfs/dbraw/zinc/39/14/06/725391406.db2.gz MGAKJOFCSZGQSG-UHFFFAOYSA-N 1 1 371.275 3.061 20 30 FGEDMO C#CCNC(=O)CC[N@H+](CCC)[C@@H](C)c1ccccc1Br ZINC000815021797 727021037 /nfs/dbraw/zinc/02/10/37/727021037.db2.gz UCYBZMQFKDPKGU-AWEZNQCLSA-N 1 1 351.288 3.362 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H]2CCC[N@@H+]2CC)s1 ZINC000819032213 727340074 /nfs/dbraw/zinc/34/00/74/727340074.db2.gz DDWGOHFLKBNHAA-ZDUSSCGKSA-N 1 1 373.975 3.439 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)s1 ZINC000819541904 727381609 /nfs/dbraw/zinc/38/16/09/727381609.db2.gz ZTWZVQUQCDDTPY-QWHCGFSZSA-N 1 1 371.959 3.001 20 30 FGEDMO COCCOc1ccc(Cl)cc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822981141 729240355 /nfs/dbraw/zinc/24/03/55/729240355.db2.gz XEDMDWKYOZSSER-ZDUSSCGKSA-N 1 1 350.806 3.109 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+](C)C[C@@](C)(O)c2ccccc2)c(C#N)c1C ZINC000823598649 729291731 /nfs/dbraw/zinc/29/17/31/729291731.db2.gz KDPWDAXPVKWVTI-LJQANCHMSA-N 1 1 357.479 3.015 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+](C)C[C@@](C)(O)c2ccccc2)c(C#N)c1C ZINC000823598649 729291734 /nfs/dbraw/zinc/29/17/34/729291734.db2.gz KDPWDAXPVKWVTI-LJQANCHMSA-N 1 1 357.479 3.015 20 30 FGEDMO O=C(C#Cc1cccs1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000825471819 729384545 /nfs/dbraw/zinc/38/45/45/729384545.db2.gz DCQIQFTYSUBWLR-UHFFFAOYSA-N 1 1 350.487 3.149 20 30 FGEDMO C#CC[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000825820991 729396337 /nfs/dbraw/zinc/39/63/37/729396337.db2.gz CLKRZLGYAMJNPK-QZTJIDSGSA-N 1 1 359.539 3.405 20 30 FGEDMO C#C[C@@H](NC(=O)CCCn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000833230308 729743576 /nfs/dbraw/zinc/74/35/76/729743576.db2.gz BMOUXPJHQGMHTI-MRXNPFEDSA-N 1 1 360.255 3.225 20 30 FGEDMO C[NH+](C)C[C@@](C)(CN=Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 ZINC000834969880 729848470 /nfs/dbraw/zinc/84/84/70/729848470.db2.gz YVJWMIHOBKYJOY-LJQANCHMSA-N 1 1 359.495 3.007 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C2/Cc3c(cc(Br)cc3F)C2=O)n1C ZINC000840715779 730165158 /nfs/dbraw/zinc/16/51/58/730165158.db2.gz DFFVBQKSQKMYFS-WTKPLQERSA-N 1 1 364.218 3.210 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000844374038 730709377 /nfs/dbraw/zinc/70/93/77/730709377.db2.gz VBSDFTICCHEMRG-VQTJNVASSA-N 1 1 356.853 3.229 20 30 FGEDMO C[N@H+](Cc1c(C2CC2)nc2sccn12)C[C@H](O)c1cccc(C#N)c1 ZINC000846006241 730917776 /nfs/dbraw/zinc/91/77/76/730917776.db2.gz HNECITUUENQFAH-KRWDZBQOSA-N 1 1 352.463 3.310 20 30 FGEDMO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848351492 731158332 /nfs/dbraw/zinc/15/83/32/731158332.db2.gz DOTIDZAGFYLWBT-IRXDYDNUSA-N 1 1 350.384 3.190 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000848407420 731161462 /nfs/dbraw/zinc/16/14/62/731161462.db2.gz PFVOOQVGNFUCOK-LLVKDONJSA-N 1 1 357.252 3.317 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccccc1CC(=O)OC ZINC000848579124 731184807 /nfs/dbraw/zinc/18/48/07/731184807.db2.gz VKQUUAJXIJTGTP-UHFFFAOYSA-N 1 1 357.837 3.357 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000859137963 732282193 /nfs/dbraw/zinc/28/21/93/732282193.db2.gz AKJRIIMAWCSGFT-QAPCUYQASA-N 1 1 350.409 3.173 20 30 FGEDMO CCCCCCCCCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000875018784 735954300 /nfs/dbraw/zinc/95/43/00/735954300.db2.gz MDCUJRVJBLSXCN-UHFFFAOYSA-N 1 1 352.567 3.158 20 30 FGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000876552706 736113055 /nfs/dbraw/zinc/11/30/55/736113055.db2.gz AWPKZQHQKDSVLN-CQSZACIVSA-N 1 1 352.829 3.029 20 30 FGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000876552706 736113057 /nfs/dbraw/zinc/11/30/57/736113057.db2.gz AWPKZQHQKDSVLN-CQSZACIVSA-N 1 1 352.829 3.029 20 30 FGEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c1 ZINC000876956081 736167736 /nfs/dbraw/zinc/16/77/36/736167736.db2.gz GEYZBQJJFXGNCG-UHFFFAOYSA-N 1 1 354.841 3.019 20 30 FGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCN(c3ccccc3F)C2=O)c1 ZINC000877120809 736189710 /nfs/dbraw/zinc/18/97/10/736189710.db2.gz MXIXNBLZOYPEBV-HNNXBMFYSA-N 1 1 358.804 3.031 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1cc(Br)no1 ZINC000878727820 736912069 /nfs/dbraw/zinc/91/20/69/736912069.db2.gz DGBPUUMYRYRHPP-GXFFZTMASA-N 1 1 350.216 3.035 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1C ZINC000879555960 737006081 /nfs/dbraw/zinc/00/60/81/737006081.db2.gz BUMVQQOBXSDCPV-QZTJIDSGSA-N 1 1 357.523 3.235 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2CCCSCC#N)C1 ZINC000879702443 737035181 /nfs/dbraw/zinc/03/51/81/737035181.db2.gz ZUGCQBNKXOWDCV-JKSUJKDBSA-N 1 1 353.532 3.355 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cn2)CCC1 ZINC000886193799 739227602 /nfs/dbraw/zinc/22/76/02/739227602.db2.gz CGNMDYKFMHQVIX-ZBFHGGJFSA-N 1 1 364.287 3.426 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)cn2)CCC1 ZINC000886193799 739227605 /nfs/dbraw/zinc/22/76/05/739227605.db2.gz CGNMDYKFMHQVIX-ZBFHGGJFSA-N 1 1 364.287 3.426 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886566604 739269305 /nfs/dbraw/zinc/26/93/05/739269305.db2.gz URQXYOVNOVNHSA-KFWWJZLASA-N 1 1 361.536 3.314 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886566604 739269310 /nfs/dbraw/zinc/26/93/10/739269310.db2.gz URQXYOVNOVNHSA-KFWWJZLASA-N 1 1 361.536 3.314 20 30 FGEDMO C#CCC1(O)CC[NH+](Cc2cc(Cl)c(OCCC)c(OC)c2)CC1 ZINC000895675967 742439371 /nfs/dbraw/zinc/43/93/71/742439371.db2.gz WYPBNVWZWXKPHG-UHFFFAOYSA-N 1 1 351.874 3.488 20 30 FGEDMO COc1cc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)cc(Cl)c1OC ZINC000897602241 742694473 /nfs/dbraw/zinc/69/44/73/742694473.db2.gz KKZKLENIIVZYAW-UHFFFAOYSA-N 1 1 351.830 3.195 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(C#N)ccn1 ZINC000902891264 743785074 /nfs/dbraw/zinc/78/50/74/743785074.db2.gz RKGWADYCEIZZDK-ZBEGNZNMSA-N 1 1 358.804 3.202 20 30 FGEDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)c1cc(C#N)ccn1 ZINC000902979904 743795662 /nfs/dbraw/zinc/79/56/62/743795662.db2.gz VNTYRPCPTSZIAC-AWEZNQCLSA-N 1 1 356.857 3.294 20 30 FGEDMO CSc1ccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)cc1C#N ZINC000905827815 744059720 /nfs/dbraw/zinc/05/97/20/744059720.db2.gz KZUAPZLLEDALJB-IBGZPJMESA-N 1 1 351.475 3.390 20 30 FGEDMO 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C=C(Br)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC[C@@H]12 ZINC000992320574 764599411 /nfs/dbraw/zinc/59/94/11/764599411.db2.gz MMZYMQZCGIZROP-KLZNWCGWSA-N 1 1 353.304 3.054 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2sccc2Cl)CC1 ZINC001003780176 765401531 /nfs/dbraw/zinc/40/15/31/765401531.db2.gz NTPGXKMOYCWPFQ-YOEHRIQHSA-N 1 1 368.930 3.463 20 30 FGEDMO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015325250 765793234 /nfs/dbraw/zinc/79/32/34/765793234.db2.gz RYVZXSXKXWJQRJ-IHPCNDPISA-N 1 1 356.897 3.318 20 30 FGEDMO O=C(C[C@@H]1C[C@H]1C1CC1)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001015325250 765793241 /nfs/dbraw/zinc/79/32/41/765793241.db2.gz RYVZXSXKXWJQRJ-IHPCNDPISA-N 1 1 356.897 3.318 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001015817215 765803940 /nfs/dbraw/zinc/80/39/40/765803940.db2.gz XVMGGGFJCYQWBA-FHWLQOOXSA-N 1 1 362.901 3.402 20 30 FGEDMO 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N#Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000571666179 505786259 /nfs/dbraw/zinc/78/62/59/505786259.db2.gz CVYWGFOIJQROTD-MRXNPFEDSA-N 1 1 354.479 3.084 20 30 FGEDMO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000131205300 495506015 /nfs/dbraw/zinc/50/60/15/495506015.db2.gz ILYFCHIVVNXISK-IVCQMTBJSA-N 1 1 356.491 3.336 20 30 FGEDMO CCc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC[NH2+]2)cc1 ZINC000574500667 505786548 /nfs/dbraw/zinc/78/65/48/505786548.db2.gz GEAIPQSWCMZSBU-BDTNDASRSA-N 1 1 359.473 3.397 20 30 FGEDMO N#Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc1 ZINC000107553783 495529001 /nfs/dbraw/zinc/52/90/01/495529001.db2.gz LSTIROFUQIKRKD-GOSISDBHSA-N 1 1 354.841 3.174 20 30 FGEDMO C=CCOCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000173465051 495542236 /nfs/dbraw/zinc/54/22/36/495542236.db2.gz JLIZNERYAPHOII-QGZVFWFLSA-N 1 1 370.415 3.379 20 30 FGEDMO CC[NH+](CC)C[C@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000173781953 495690632 /nfs/dbraw/zinc/69/06/32/495690632.db2.gz DVZLZNSAOFDXBY-OAHLLOKOSA-N 1 1 362.905 3.204 20 30 FGEDMO N#Cc1cccc(NCC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000154733748 495711348 /nfs/dbraw/zinc/71/13/48/495711348.db2.gz PEMKUZKADXLRCP-UHFFFAOYSA-N 1 1 354.498 3.085 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c3ccccc32)CC1 ZINC000176599298 495715360 /nfs/dbraw/zinc/71/53/60/495715360.db2.gz RYEWXVFRDGTZNS-UHFFFAOYSA-N 1 1 364.898 3.422 20 30 FGEDMO N#CCSCCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000173867760 495725203 /nfs/dbraw/zinc/72/52/03/495725203.db2.gz IVFOBQOSPSYWIB-UHFFFAOYSA-N 1 1 372.321 3.398 20 30 FGEDMO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cc(F)ccc1F ZINC000179777659 495731796 /nfs/dbraw/zinc/73/17/96/495731796.db2.gz JPYNAVYNFAIIKA-SFHVURJKSA-N 1 1 364.417 3.351 20 30 FGEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000574558641 505801134 /nfs/dbraw/zinc/80/11/34/505801134.db2.gz LCZPETZIXIBNGO-DOTOQJQBSA-N 1 1 356.388 3.362 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000151206591 495771700 /nfs/dbraw/zinc/77/17/00/495771700.db2.gz GYHGVMKJDDGXLC-CQSZACIVSA-N 1 1 355.388 3.183 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000151206591 495771706 /nfs/dbraw/zinc/77/17/06/495771706.db2.gz GYHGVMKJDDGXLC-CQSZACIVSA-N 1 1 355.388 3.183 20 30 FGEDMO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000174098746 495820172 /nfs/dbraw/zinc/82/01/72/495820172.db2.gz KIVPXWIJHRYWCP-GFCCVEGCSA-N 1 1 354.376 3.430 20 30 FGEDMO C=CCOc1ccc(CN2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)cc1Cl ZINC000568910276 505806042 /nfs/dbraw/zinc/80/60/42/505806042.db2.gz NTNUDQQBIRBDJS-PKOBYXMFSA-N 1 1 350.890 3.200 20 30 FGEDMO CC#CCCCC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186077664 495847296 /nfs/dbraw/zinc/84/72/96/495847296.db2.gz OULFJALINJYUQY-IBGZPJMESA-N 1 1 350.466 3.462 20 30 FGEDMO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174245444 495880150 /nfs/dbraw/zinc/88/01/50/495880150.db2.gz XFXRKSYPKHQWFI-AWEZNQCLSA-N 1 1 361.467 3.033 20 30 FGEDMO N#CCCCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000171500663 495902263 /nfs/dbraw/zinc/90/22/63/495902263.db2.gz ORZOWGWMHVZBJK-KRWDZBQOSA-N 1 1 353.388 3.251 20 30 FGEDMO COCCOc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1 ZINC000155290023 495906144 /nfs/dbraw/zinc/90/61/44/495906144.db2.gz KYNWTOSPYMJMDO-JOCHJYFZSA-N 1 1 365.477 3.094 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(OCCC(C)C)cc2)CC1 ZINC000171536819 495918882 /nfs/dbraw/zinc/91/88/82/495918882.db2.gz AVAYCSXQAAGECU-UHFFFAOYSA-N 1 1 366.527 3.040 20 30 FGEDMO Cn1cc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)c(-c2ccc(C#N)cc2)n1 ZINC000180245942 495923942 /nfs/dbraw/zinc/92/39/42/495923942.db2.gz QJFDOOXLZAQBIQ-IBGZPJMESA-N 1 1 360.465 3.202 20 30 FGEDMO N#Cc1ccc(C[NH2+]Cc2cnc3ccc(Br)cn23)c(F)c1 ZINC000174360161 495928084 /nfs/dbraw/zinc/92/80/84/495928084.db2.gz TUEPHOYZXALKSA-UHFFFAOYSA-N 1 1 359.202 3.397 20 30 FGEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151740384 495933151 /nfs/dbraw/zinc/93/31/51/495933151.db2.gz BRTRBLRBRQQECR-GOSISDBHSA-N 1 1 370.497 3.048 20 30 FGEDMO C[N@@H+]1CCC[C@H](CNCc2cnc3ccc(C#N)cn23)[C@@H]1c1cccs1 ZINC000174460041 495968205 /nfs/dbraw/zinc/96/82/05/495968205.db2.gz PFCKZPHXXJZSNP-OXQOHEQNSA-N 1 1 365.506 3.440 20 30 FGEDMO C[N@H+]1CCC[C@H](CNCc2cnc3ccc(C#N)cn23)[C@@H]1c1cccs1 ZINC000174460041 495968210 /nfs/dbraw/zinc/96/82/10/495968210.db2.gz PFCKZPHXXJZSNP-OXQOHEQNSA-N 1 1 365.506 3.440 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000177209904 495978172 /nfs/dbraw/zinc/97/81/72/495978172.db2.gz LLHFGIFFBCIPGT-KBXCAEBGSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2ccsc2)O1 ZINC000177209904 495978175 /nfs/dbraw/zinc/97/81/75/495978175.db2.gz LLHFGIFFBCIPGT-KBXCAEBGSA-N 1 1 355.463 3.410 20 30 FGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000177283371 496005461 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CC[C@H](CC#N)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000183839075 496132670 /nfs/dbraw/zinc/13/26/70/496132670.db2.gz ZGRDHSSXSGSRIJ-NVXWUHKLSA-N 1 1 353.388 3.249 20 30 FGEDMO CC[C@@H](CC#N)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000183839062 496133047 /nfs/dbraw/zinc/13/30/47/496133047.db2.gz ZGRDHSSXSGSRIJ-DOTOQJQBSA-N 1 1 353.388 3.249 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C2CC2)C[C@@H]1C ZINC000568992463 505826050 /nfs/dbraw/zinc/82/60/50/505826050.db2.gz LDOHJGNVBUPCOJ-LSDHHAIUSA-N 1 1 350.470 3.071 20 30 FGEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000177696712 496162628 /nfs/dbraw/zinc/16/26/28/496162628.db2.gz GEEIWNUADBAVQE-AWEZNQCLSA-N 1 1 358.486 3.361 20 30 FGEDMO N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000177912445 496248497 /nfs/dbraw/zinc/24/84/97/496248497.db2.gz ZDAJOIXIAXSSTC-QGZVFWFLSA-N 1 1 366.440 3.383 20 30 FGEDMO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000181064987 496258509 /nfs/dbraw/zinc/25/85/09/496258509.db2.gz XLBAOIOHEQJRKY-NSHDSACASA-N 1 1 351.244 3.094 20 30 FGEDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000181064987 496258513 /nfs/dbraw/zinc/25/85/13/496258513.db2.gz XLBAOIOHEQJRKY-NSHDSACASA-N 1 1 351.244 3.094 20 30 FGEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C#N)cc2Br)C1 ZINC000181132849 496281946 /nfs/dbraw/zinc/28/19/46/496281946.db2.gz FKXCXYIJRVTWDV-OAHLLOKOSA-N 1 1 350.304 3.484 20 30 FGEDMO N#Cc1c(Cl)nsc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000181135565 496282430 /nfs/dbraw/zinc/28/24/30/496282430.db2.gz OEQUKHXGRXFLRG-AWEZNQCLSA-N 1 1 362.886 3.237 20 30 FGEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)C3(C#N)CCCCC3)CC2)C[C@H](C)O1 ZINC000178239184 496381652 /nfs/dbraw/zinc/38/16/52/496381652.db2.gz FJVRJASMVXPROO-HDICACEKSA-N 1 1 361.530 3.198 20 30 FGEDMO CCC(CC)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N(C)C ZINC000181462495 496406506 /nfs/dbraw/zinc/40/65/06/496406506.db2.gz FCVCJKJOTYKMBT-QFIPXVFZSA-N 1 1 356.558 3.479 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1nc(-c2ccccc2)cs1 ZINC000184523369 496423245 /nfs/dbraw/zinc/42/32/45/496423245.db2.gz UCMZUUFNWMWMNX-YJYMSZOUSA-N 1 1 354.479 3.269 20 30 FGEDMO CC(C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1Br ZINC000181513595 496427252 /nfs/dbraw/zinc/42/72/52/496427252.db2.gz ZMKJEODQIRDFBO-KRWDZBQOSA-N 1 1 364.287 3.082 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 ZINC000157515589 496492712 /nfs/dbraw/zinc/49/27/12/496492712.db2.gz OBFOGSMUMYLCHY-SFHVURJKSA-N 1 1 368.525 3.473 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc(OC)c1O ZINC000184728933 496510289 /nfs/dbraw/zinc/51/02/89/496510289.db2.gz FBHXYNDVFDRSPA-INIZCTEOSA-N 1 1 355.482 3.318 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000175729437 496519065 /nfs/dbraw/zinc/51/90/65/496519065.db2.gz BWDWOXFRABQCFO-YLJYHZDGSA-N 1 1 366.509 3.400 20 30 FGEDMO N#CCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178686479 496540739 /nfs/dbraw/zinc/54/07/39/496540739.db2.gz DLUNOQJPNKCFQN-UXHICEINSA-N 1 1 354.498 3.376 20 30 FGEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC000157853597 496569780 /nfs/dbraw/zinc/56/97/80/496569780.db2.gz LKBDFNGWMVSAMX-INIZCTEOSA-N 1 1 358.486 3.445 20 30 FGEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(F)c(F)c1 ZINC000187787758 496571907 /nfs/dbraw/zinc/57/19/07/496571907.db2.gz HIBRDEJMEIDNTL-BJLQDIEVSA-N 1 1 364.436 3.342 20 30 FGEDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(-n2cncn2)cc1 ZINC000181874762 496581741 /nfs/dbraw/zinc/58/17/41/496581741.db2.gz BDPFIVFPFWVLHH-CQSZACIVSA-N 1 1 371.404 3.040 20 30 FGEDMO Cc1cc(C(=O)NC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c(C)o1 ZINC000158157389 496639823 /nfs/dbraw/zinc/63/98/23/496639823.db2.gz JWZFRGAOEPOZNR-UHFFFAOYSA-N 1 1 354.425 3.281 20 30 FGEDMO CCC[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1CCOC ZINC000158175919 496643715 /nfs/dbraw/zinc/64/37/15/496643715.db2.gz SKFOKTDUJFHCTE-IBGZPJMESA-N 1 1 372.513 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C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189178560 497035256 /nfs/dbraw/zinc/03/52/56/497035256.db2.gz HPLGVNMXNZWNQU-CXAGYDPISA-N 1 1 373.522 3.326 20 30 FGEDMO COc1ccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C2CC2)cc1 ZINC000248568033 497043009 /nfs/dbraw/zinc/04/30/09/497043009.db2.gz NTIGTMHDHMNACY-YCRPNKLZSA-N 1 1 355.482 3.104 20 30 FGEDMO CC(C)[C@@H]1CCC[N@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000265152189 497058393 /nfs/dbraw/zinc/05/83/93/497058393.db2.gz SYBILCCQXUEDOZ-NVXWUHKLSA-N 1 1 366.465 3.270 20 30 FGEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000265152189 497058396 /nfs/dbraw/zinc/05/83/96/497058396.db2.gz SYBILCCQXUEDOZ-NVXWUHKLSA-N 1 1 366.465 3.270 20 30 FGEDMO C=C(C)[C@@H](CC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)OCC ZINC000270137916 497065414 /nfs/dbraw/zinc/06/54/14/497065414.db2.gz ZLHHUKMWEZSZKL-OAQYLSRUSA-N 1 1 356.510 3.407 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)Cc1cccc(C#N)c1 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FTPVHRGEJKYCHH-TZMCWYRMSA-N 1 1 368.359 3.428 20 30 FGEDMO C=C(C)CS(=O)(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000189535333 497154873 /nfs/dbraw/zinc/15/48/73/497154873.db2.gz UUDMRVYKFXTTHQ-CALCHBBNSA-N 1 1 350.528 3.160 20 30 FGEDMO COC[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000265751131 497175612 /nfs/dbraw/zinc/17/56/12/497175612.db2.gz FKPAVYSPICPDDW-QGZVFWFLSA-N 1 1 372.513 3.389 20 30 FGEDMO COC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000265751131 497175620 /nfs/dbraw/zinc/17/56/20/497175620.db2.gz FKPAVYSPICPDDW-QGZVFWFLSA-N 1 1 372.513 3.389 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)C[C@H](C)O1 ZINC000249285358 497186891 /nfs/dbraw/zinc/18/68/91/497186891.db2.gz RXOKEBFURRXJRH-VNHYZAJKSA-N 1 1 368.403 3.050 20 30 FGEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)C[C@H](C)O1 ZINC000249285358 497186896 /nfs/dbraw/zinc/18/68/96/497186896.db2.gz RXOKEBFURRXJRH-VNHYZAJKSA-N 1 1 368.403 3.050 20 30 FGEDMO CC[C@@](C)(O)C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000189727428 497224339 /nfs/dbraw/zinc/22/43/39/497224339.db2.gz ZWGQDKIQAJWOLP-LJQANCHMSA-N 1 1 357.479 3.221 20 30 FGEDMO CC[C@@](C)(O)C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000189727428 497224343 /nfs/dbraw/zinc/22/43/43/497224343.db2.gz ZWGQDKIQAJWOLP-LJQANCHMSA-N 1 1 357.479 3.221 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000249763971 497245323 /nfs/dbraw/zinc/24/53/23/497245323.db2.gz HSNXCKZSXGJFGQ-BBWFWOEESA-N 1 1 372.513 3.090 20 30 FGEDMO CCC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000249974980 497259649 /nfs/dbraw/zinc/25/96/49/497259649.db2.gz LHOWTQVWGMHHGJ-VQIMIIECSA-N 1 1 370.497 3.175 20 30 FGEDMO CCn1nccc1C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000278950706 497277840 /nfs/dbraw/zinc/27/78/40/497277840.db2.gz VRTULXZMJYAROB-UHFFFAOYSA-N 1 1 362.437 3.204 20 30 FGEDMO C[N@@H+](CCN1CCOCC1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193049398 497287192 /nfs/dbraw/zinc/28/71/92/497287192.db2.gz GDANPIXYOBZZKN-UHFFFAOYSA-N 1 1 363.505 3.150 20 30 FGEDMO CCc1ccccc1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000189975543 497311224 /nfs/dbraw/zinc/31/12/24/497311224.db2.gz ZHMOPFAHBBKYHN-UHFFFAOYSA-N 1 1 361.489 3.398 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[N@H+]1C ZINC000266384107 497322462 /nfs/dbraw/zinc/32/24/62/497322462.db2.gz DIZZCNAKJKYROH-DYESRHJHSA-N 1 1 362.477 3.428 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000193328278 497351568 /nfs/dbraw/zinc/35/15/68/497351568.db2.gz YXDUZLJYOLECNH-GJZGRUSLSA-N 1 1 369.494 3.045 20 30 FGEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000578283927 505904034 /nfs/dbraw/zinc/90/40/34/505904034.db2.gz CDIBFUCNUPEVJP-LPHOPBHVSA-N 1 1 371.504 3.361 20 30 FGEDMO CCC1(O)CC[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 ZINC000266738131 497409264 /nfs/dbraw/zinc/40/92/64/497409264.db2.gz MPKYFHVNOCHUAJ-UHFFFAOYSA-N 1 1 363.889 3.132 20 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497613429 /nfs/dbraw/zinc/61/34/29/497613429.db2.gz UGFSPPSWPGEURY-MSOLQXFVSA-N 1 1 356.470 3.436 20 30 FGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)cc1OC ZINC000246079673 497615122 /nfs/dbraw/zinc/61/51/22/497615122.db2.gz TXCRNLSHYJTRGA-RBUKOAKNSA-N 1 1 352.434 3.446 20 30 FGEDMO C=CCC1(C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CCCC1 ZINC000572234116 505921440 /nfs/dbraw/zinc/92/14/40/505921440.db2.gz MODLLQSFBJIGMG-UHFFFAOYSA-N 1 1 369.509 3.426 20 30 FGEDMO C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272559456 497663292 /nfs/dbraw/zinc/66/32/92/497663292.db2.gz UEJWVTUWAIWJKB-PBHICJAKSA-N 1 1 369.415 3.477 20 30 FGEDMO CC(C)C(=O)NC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000276842906 497669264 /nfs/dbraw/zinc/66/92/64/497669264.db2.gz CLFLJJSEXWNUSG-UHFFFAOYSA-N 1 1 364.287 3.057 20 30 FGEDMO C=C(C)COCCNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246258297 497676448 /nfs/dbraw/zinc/67/64/48/497676448.db2.gz PJDWXRWGORWLRF-RUYXUALKSA-N 1 1 359.514 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ASYMQZOKWJCUFK-UZLBHIALSA-N 1 1 372.538 3.047 20 30 FGEDMO CCn1ccnc1[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C1CCOCC1 ZINC000284666803 497860996 /nfs/dbraw/zinc/86/09/96/497860996.db2.gz HKOLSLDKPVQUIW-IBGZPJMESA-N 1 1 354.454 3.041 20 30 FGEDMO C[C@@]12CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C[C@@H]1C2(Cl)Cl ZINC000284765769 497893496 /nfs/dbraw/zinc/89/34/96/497893496.db2.gz MKVBKQLQXUQAPV-GOEBONIOSA-N 1 1 352.265 3.403 20 30 FGEDMO Cc1nsc(N2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)c1C#N ZINC000329770490 497896039 /nfs/dbraw/zinc/89/60/39/497896039.db2.gz GBMJXXVRQBRADW-MRXNPFEDSA-N 1 1 360.527 3.327 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC2(CCO2)CC1 ZINC000578454712 505943705 /nfs/dbraw/zinc/94/37/05/505943705.db2.gz XCALWXRRDZZNDV-AWEZNQCLSA-N 1 1 373.522 3.471 20 30 FGEDMO COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000329779240 497899191 /nfs/dbraw/zinc/89/91/91/497899191.db2.gz LTUKZFXXDQWGQR-DYWHQCQKSA-N 1 1 363.502 3.183 20 30 FGEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000280842024 497918854 /nfs/dbraw/zinc/91/88/54/497918854.db2.gz PEFXZGVIZHNZMI-FCHUYYIVSA-N 1 1 372.472 3.021 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280896889 497940758 /nfs/dbraw/zinc/94/07/58/497940758.db2.gz SSXACHAAZRNHRS-UEXGIBASSA-N 1 1 366.509 3.115 20 30 FGEDMO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)C1 ZINC000329942873 497964306 /nfs/dbraw/zinc/96/43/06/497964306.db2.gz DCRIOWOYKMNFEQ-GOSISDBHSA-N 1 1 354.454 3.144 20 30 FGEDMO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)C1 ZINC000329942873 497964309 /nfs/dbraw/zinc/96/43/09/497964309.db2.gz DCRIOWOYKMNFEQ-GOSISDBHSA-N 1 1 354.454 3.144 20 30 FGEDMO CN(CC1(O)CCCCCC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329974568 497975986 /nfs/dbraw/zinc/97/59/86/497975986.db2.gz DEARARJZZBGOTA-FQEVSTJZSA-N 1 1 373.541 3.440 20 30 FGEDMO CC[C@H](NC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)c1c(C)noc1C ZINC000330019697 497992708 /nfs/dbraw/zinc/99/27/08/497992708.db2.gz VMZKLRHPFVALSS-AWEZNQCLSA-N 1 1 356.430 3.283 20 30 FGEDMO C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)c1ncnn1C ZINC000330020237 497993637 /nfs/dbraw/zinc/99/36/37/497993637.db2.gz WJJIRSXWHKRSES-ZFWWWQNUSA-N 1 1 356.474 3.339 20 30 FGEDMO COc1ccc(Br)c([C@H](CO)[N@H+](C)CCCSCC#N)c1 ZINC000296398005 498027598 /nfs/dbraw/zinc/02/75/98/498027598.db2.gz UOUNBJQMXKYLNG-HNNXBMFYSA-N 1 1 373.316 3.070 20 30 FGEDMO COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCCSCC#N)c1 ZINC000296398005 498027603 /nfs/dbraw/zinc/02/76/03/498027603.db2.gz UOUNBJQMXKYLNG-HNNXBMFYSA-N 1 1 373.316 3.070 20 30 FGEDMO O=C(C[NH+]1CCC(c2nnc3n2CCCC3)CC1)NC1CCCCCC1 ZINC000330161018 498044618 /nfs/dbraw/zinc/04/46/18/498044618.db2.gz RMXACMVZAUFUKZ-UHFFFAOYSA-N 1 1 359.518 3.473 20 30 FGEDMO C[C@]1(CNC(=O)N[C@@H]2CCO[C@H]2C2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000330163076 498046376 /nfs/dbraw/zinc/04/63/76/498046376.db2.gz ARKUODAHNQXSFF-SVFBPWRDSA-N 1 1 357.498 3.112 20 30 FGEDMO Cc1cc2cc[nH]c2cc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000330190399 498055322 /nfs/dbraw/zinc/05/53/22/498055322.db2.gz MKXMXIPDSWAYMZ-HNNXBMFYSA-N 1 1 356.470 3.207 20 30 FGEDMO O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330215366 498064617 /nfs/dbraw/zinc/06/46/17/498064617.db2.gz GYIBFXGRJAYCCP-WBVHZDCISA-N 1 1 361.873 3.419 20 30 FGEDMO O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330215366 498064624 /nfs/dbraw/zinc/06/46/24/498064624.db2.gz GYIBFXGRJAYCCP-WBVHZDCISA-N 1 1 361.873 3.419 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330242822 498075575 /nfs/dbraw/zinc/07/55/75/498075575.db2.gz JNUJFOBHHOSHDV-PKOBYXMFSA-N 1 1 355.482 3.070 20 30 FGEDMO C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2c3ccccc3CC[C@H]2n2ccnc2)CC[N@H+]1C ZINC000330241962 498075675 /nfs/dbraw/zinc/07/56/75/498075675.db2.gz FWZPDSCIIAVVJL-RARDXLECSA-N 1 1 367.497 3.098 20 30 FGEDMO 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C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289256503 498079723 /nfs/dbraw/zinc/07/97/23/498079723.db2.gz FKJSMOHGHIWFIT-XLIONFOSSA-N 1 1 367.497 3.374 20 30 FGEDMO COc1ccc(C2(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)CCOCC2)cc1 ZINC000330253837 498080788 /nfs/dbraw/zinc/08/07/88/498080788.db2.gz JDDSYEPMUMNNSS-IBGZPJMESA-N 1 1 358.482 3.327 20 30 FGEDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(C[C@@H](CC#N)c3ccccc3)n1)OC2 ZINC000350385395 498091688 /nfs/dbraw/zinc/09/16/88/498091688.db2.gz IRCWBQIFFNHPQN-MBOZVWFJSA-N 1 1 352.438 3.235 20 30 FGEDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(C[C@@H](CC#N)c3ccccc3)n1)OC2 ZINC000350385395 498091696 /nfs/dbraw/zinc/09/16/96/498091696.db2.gz IRCWBQIFFNHPQN-MBOZVWFJSA-N 1 1 352.438 3.235 20 30 FGEDMO CCc1ccc(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000581393031 505977841 /nfs/dbraw/zinc/97/78/41/505977841.db2.gz BJKHKOVXBKYPGW-UHFFFAOYSA-N 1 1 351.450 3.208 20 30 FGEDMO CCc1ccc(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000581393031 505977844 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366.440 3.148 20 30 FGEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000292883728 498182630 /nfs/dbraw/zinc/18/26/30/498182630.db2.gz HYMCLSWDBMUQKL-PKOBYXMFSA-N 1 1 368.529 3.007 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](CO)CC2)c1 ZINC000292902196 498189646 /nfs/dbraw/zinc/18/96/46/498189646.db2.gz ANAHYKWTXBQRSL-OALUTQOASA-N 1 1 357.498 3.033 20 30 FGEDMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1NC(=O)NC(C)(C)C ZINC000330891650 498212914 /nfs/dbraw/zinc/21/29/14/498212914.db2.gz CWLLVXHTIDMMLJ-DOTOQJQBSA-N 1 1 374.529 3.483 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000365020112 498258777 /nfs/dbraw/zinc/25/87/77/498258777.db2.gz RNKSEAGTEUDOBV-CYBMUJFWSA-N 1 1 357.845 3.072 20 30 FGEDMO CCCOc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl ZINC000331181568 498270358 /nfs/dbraw/zinc/27/03/58/498270358.db2.gz MYARQDUETJMXBA-KBPBESRZSA-N 1 1 369.893 3.061 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@]3(CO)Cc3ccccc3)o2)cc1 ZINC000365060502 498277604 /nfs/dbraw/zinc/27/76/04/498277604.db2.gz GPHCZWAHLLGEPM-QFIPXVFZSA-N 1 1 374.444 3.178 20 30 FGEDMO Cn1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000289756656 498278987 /nfs/dbraw/zinc/27/89/87/498278987.db2.gz YYHTVJWZMOHXKQ-FPOVZHCZSA-N 1 1 362.477 3.492 20 30 FGEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000331271915 498290817 /nfs/dbraw/zinc/29/08/17/498290817.db2.gz NPZMOCANBJWPQC-GFCCVEGCSA-N 1 1 370.375 3.262 20 30 FGEDMO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[N@H+](CC)CC1 ZINC000293201266 498303962 /nfs/dbraw/zinc/30/39/62/498303962.db2.gz YUWIUHVNCNEPRZ-UHFFFAOYSA-N 1 1 369.513 3.103 20 30 FGEDMO Cc1ccc(NC2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)cc1 ZINC000365132875 498315640 /nfs/dbraw/zinc/31/56/40/498315640.db2.gz JTQWTTMSDULJLQ-UHFFFAOYSA-N 1 1 362.477 3.059 20 30 FGEDMO C[N@H+]1CC[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000360900155 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Cc1c([C@H]2CCC[N@@H+]2[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cnn1C ZINC000367330300 499182754 /nfs/dbraw/zinc/18/27/54/499182754.db2.gz HGFHBPMAHMIPJP-QQHSFLTISA-N 1 1 371.529 3.185 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1)c1ccccc1 ZINC000367380231 499192064 /nfs/dbraw/zinc/19/20/64/499192064.db2.gz QQCOIKFVEGQJBI-RTBURBONSA-N 1 1 355.482 3.072 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)Cc2ccccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000370306085 499207559 /nfs/dbraw/zinc/20/75/59/499207559.db2.gz RVPCFMIIMQQRSW-PZJWPPBQSA-N 1 1 351.498 3.197 20 30 FGEDMO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1c(F)cncc1F ZINC000367527045 499209353 /nfs/dbraw/zinc/20/93/53/499209353.db2.gz LZQLMSJTVLBIHG-LBPRGKRZSA-N 1 1 353.376 3.483 20 30 FGEDMO Cc1nsc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000573183761 506137974 /nfs/dbraw/zinc/13/79/74/506137974.db2.gz ISHJZWAPQJQPMQ-HNNXBMFYSA-N 1 1 355.467 3.109 20 30 FGEDMO N#C[C@H]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000582118633 506138299 /nfs/dbraw/zinc/13/82/99/506138299.db2.gz YRUYXUXJGXMYKD-WSCSCYJOSA-N 1 1 352.482 3.173 20 30 FGEDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000371021199 499281171 /nfs/dbraw/zinc/28/11/71/499281171.db2.gz CRSKHSLJRIPDDQ-AEFFLSMTSA-N 1 1 366.465 3.337 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000368436528 499295851 /nfs/dbraw/zinc/29/58/51/499295851.db2.gz QUATXEHBKTYJNQ-KRWDZBQOSA-N 1 1 361.449 3.064 20 30 FGEDMO Cc1cnc([C@@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccc(C#N)cc2)s1 ZINC000371204789 499298379 /nfs/dbraw/zinc/29/83/79/499298379.db2.gz KBVJEGGEYSHMAD-AEFFLSMTSA-N 1 1 357.479 3.290 20 30 FGEDMO Cc1cnc([C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)s1 ZINC000371204789 499298381 /nfs/dbraw/zinc/29/83/81/499298381.db2.gz KBVJEGGEYSHMAD-AEFFLSMTSA-N 1 1 357.479 3.290 20 30 FGEDMO CC[N@@H+](C)[C@H](C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)c1ccccc1 ZINC000371249124 499302319 /nfs/dbraw/zinc/30/23/19/499302319.db2.gz YYMNLRRLHZUQEH-NRFANRHFSA-N 1 1 373.460 3.258 20 30 FGEDMO N#Cc1ccc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000368609370 499313347 /nfs/dbraw/zinc/31/33/47/499313347.db2.gz XRXCUYYDGIIUIJ-KRWDZBQOSA-N 1 1 353.853 3.464 20 30 FGEDMO C=CCc1cc(C[N@@H+]2CCC[C@H](c3noc(CC)n3)C2)cc(OC)c1O ZINC000371373966 499316932 /nfs/dbraw/zinc/31/69/32/499316932.db2.gz OZQBMRJUUCJURC-INIZCTEOSA-N 1 1 357.454 3.454 20 30 FGEDMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000368673107 499320927 /nfs/dbraw/zinc/32/09/27/499320927.db2.gz QEKGEWDSVDCNJA-PMACEKPBSA-N 1 1 355.482 3.193 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(F)cc1NC(=O)Cc1ccc(OCC#N)cc1 ZINC000371607242 499346904 /nfs/dbraw/zinc/34/69/04/499346904.db2.gz HYLQNOQVSYZYFV-UHFFFAOYSA-N 1 1 364.380 3.403 20 30 FGEDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)Nc3ccc(CC#N)cc3)CC2)on1 ZINC000368984250 499353577 /nfs/dbraw/zinc/35/35/77/499353577.db2.gz NUZQBKMLPAGGRQ-UHFFFAOYSA-N 1 1 367.453 3.177 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369003045 499355729 /nfs/dbraw/zinc/35/57/29/499355729.db2.gz STQQQYYBMGUROP-INIZCTEOSA-N 1 1 353.426 3.430 20 30 FGEDMO COCCC[N@H+]1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000371799046 499366539 /nfs/dbraw/zinc/36/65/39/499366539.db2.gz IYMYFZKHVDUMEM-UHFFFAOYSA-N 1 1 358.486 3.064 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000371834400 499370062 /nfs/dbraw/zinc/37/00/62/499370062.db2.gz JOQYJNCMHVJNTE-ROUUACIJSA-N 1 1 355.482 3.213 20 30 FGEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369401179 499400252 /nfs/dbraw/zinc/40/02/52/499400252.db2.gz KXAHUSDKSHAFRI-HMXCVIKNSA-N 1 1 371.525 3.274 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCCO[C@H]3CCC[C@H]32)c1C ZINC000369429484 499402447 /nfs/dbraw/zinc/40/24/47/499402447.db2.gz YDVVRPGXEIFQPD-UXHICEINSA-N 1 1 355.482 3.194 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCO[C@H]3CCC[C@H]32)c1C ZINC000369429484 499402449 /nfs/dbraw/zinc/40/24/49/499402449.db2.gz YDVVRPGXEIFQPD-UXHICEINSA-N 1 1 355.482 3.194 20 30 FGEDMO C=C(Cl)CNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000369484502 499407547 /nfs/dbraw/zinc/40/75/47/499407547.db2.gz AKVHDQDVUHAPTO-UHFFFAOYSA-N 1 1 374.872 3.358 20 30 FGEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372272676 499415717 /nfs/dbraw/zinc/41/57/17/499415717.db2.gz IRNTZJZVIJMRPE-QGZVFWFLSA-N 1 1 369.425 3.311 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc(OC)c1O ZINC000372412916 499431501 /nfs/dbraw/zinc/43/15/01/499431501.db2.gz CADIZURCPYHNCF-GOSISDBHSA-N 1 1 358.482 3.106 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccn2Cc2ccccc2C#N)C[C@]2(CCCOC2)O1 ZINC000373595117 499478893 /nfs/dbraw/zinc/47/88/93/499478893.db2.gz PMQYAMWFMVBFQQ-GCJKJVERSA-N 1 1 365.477 3.178 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccn2Cc2ccccc2C#N)C[C@]2(CCCOC2)O1 ZINC000373595117 499478894 /nfs/dbraw/zinc/47/88/94/499478894.db2.gz PMQYAMWFMVBFQQ-GCJKJVERSA-N 1 1 365.477 3.178 20 30 FGEDMO C=CCCOCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000378277939 499497496 /nfs/dbraw/zinc/49/74/96/499497496.db2.gz RLWYWPVYQZLFNP-WCRBZPEASA-N 1 1 371.525 3.416 20 30 FGEDMO CN1CC[NH+](CC2(C)CCN(CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000375235194 499497622 /nfs/dbraw/zinc/49/76/22/499497622.db2.gz XLLWBLPSTZSBAK-UHFFFAOYSA-N 1 1 359.945 3.041 20 30 FGEDMO C[C@@H]1[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCC12CCOCC2 ZINC000375242496 499498711 /nfs/dbraw/zinc/49/87/11/499498711.db2.gz OOBBHAZCOOQXLB-AWEZNQCLSA-N 1 1 373.522 3.328 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCN(c3cncc(F)c3)CC2)cc1 ZINC000378335204 499503014 /nfs/dbraw/zinc/50/30/14/499503014.db2.gz RYEOMAXGAMHVFE-UHFFFAOYSA-N 1 1 367.472 3.283 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCCOC3)sc2c1CCCC2 ZINC000375297332 499504126 /nfs/dbraw/zinc/50/41/26/499504126.db2.gz UHEMMOJICWBUKI-HXUWFJFHSA-N 1 1 373.522 3.330 20 30 FGEDMO C=CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000375310892 499505838 /nfs/dbraw/zinc/50/58/38/499505838.db2.gz UBKNGECJYMMUFW-GIVPXCGWSA-N 1 1 366.509 3.279 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000375452080 499520981 /nfs/dbraw/zinc/52/09/81/499520981.db2.gz DBURWMVIPVPMAS-MLYOOKFZSA-N 1 1 361.530 3.123 20 30 FGEDMO N#CC1(CCC[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CCOCC1 ZINC000375609433 499537584 /nfs/dbraw/zinc/53/75/84/499537584.db2.gz ZDPYZSWNERCVGL-SFHVURJKSA-N 1 1 355.482 3.438 20 30 FGEDMO Cc1onc(C2CC2)c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000582167622 506149454 /nfs/dbraw/zinc/14/94/54/506149454.db2.gz BGCODPIPLGRQCR-UHFFFAOYSA-N 1 1 364.449 3.149 20 30 FGEDMO N#CC1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCCC1 ZINC000388505366 499550932 /nfs/dbraw/zinc/55/09/32/499550932.db2.gz LRCHLCQOOQUPOC-PMACEKPBSA-N 1 1 351.494 3.441 20 30 FGEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375783245 499555392 /nfs/dbraw/zinc/55/53/92/499555392.db2.gz QUVCOFXKSBELRR-IAGOWNOFSA-N 1 1 351.491 3.076 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000375818110 499558638 /nfs/dbraw/zinc/55/86/38/499558638.db2.gz VQCWGTMGADJCIV-UHFFFAOYSA-N 1 1 368.525 3.110 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000398051744 499566103 /nfs/dbraw/zinc/56/61/03/499566103.db2.gz XXPWGHMHXNRWJP-WMLDXEAASA-N 1 1 351.410 3.184 20 30 FGEDMO N#Cc1ccc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c(F)c1 ZINC000404197166 499570091 /nfs/dbraw/zinc/57/00/91/499570091.db2.gz OBGDAIXSMITRQC-VXKWHMMOSA-N 1 1 365.452 3.173 20 30 FGEDMO N#CCc1ccc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000404200559 499570182 /nfs/dbraw/zinc/57/01/82/499570182.db2.gz PSRTUDLNBDOXLT-PKTZIBPZSA-N 1 1 361.489 3.228 20 30 FGEDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000376072735 499580916 /nfs/dbraw/zinc/58/09/16/499580916.db2.gz BBLTXCXYTPSRMC-OAHLLOKOSA-N 1 1 357.473 3.450 20 30 FGEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3cn(CCOC)nc32)cc1OC ZINC000376503939 499613194 /nfs/dbraw/zinc/61/31/94/499613194.db2.gz FDQXEMHEAPPMLG-GOSISDBHSA-N 1 1 371.481 3.270 20 30 FGEDMO C=CCOc1ccc(C[NH2+][C@H]2CCCc3cn(CCOC)nc32)cc1OC ZINC000376503941 499613237 /nfs/dbraw/zinc/61/32/37/499613237.db2.gz FDQXEMHEAPPMLG-SFHVURJKSA-N 1 1 371.481 3.270 20 30 FGEDMO N#Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1C(F)(F)F ZINC000409710280 499616785 /nfs/dbraw/zinc/61/67/85/499616785.db2.gz FPGLBWJCIFIHQV-BLLLJJGKSA-N 1 1 350.388 3.425 20 30 FGEDMO CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CCCC3(C#N)CCOCC3)C[C@H]21 ZINC000376604276 499622321 /nfs/dbraw/zinc/62/23/21/499622321.db2.gz NPOYIZLIEBOHEM-ZWKOTPCHSA-N 1 1 361.530 3.056 20 30 FGEDMO C[C@H](CC#N)N(C)C(=O)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000376726087 499632301 /nfs/dbraw/zinc/63/23/01/499632301.db2.gz NXABYVGCXMTNST-MRXNPFEDSA-N 1 1 366.465 3.314 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)C1=O ZINC000410385099 499659380 /nfs/dbraw/zinc/65/93/80/499659380.db2.gz VLYCQVLLLUDKIY-MAUKXSAKSA-N 1 1 362.901 3.390 20 30 FGEDMO Cc1nc(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)no1 ZINC000377284617 499676933 /nfs/dbraw/zinc/67/69/33/499676933.db2.gz DGKVYGPDEXZNEJ-UHFFFAOYSA-N 1 1 361.243 3.392 20 30 FGEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1CC ZINC000377295492 499677596 /nfs/dbraw/zinc/67/75/96/499677596.db2.gz PUAGYKSLWLCHOQ-UXHICEINSA-N 1 1 364.493 3.254 20 30 FGEDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000377889927 499745652 /nfs/dbraw/zinc/74/56/52/499745652.db2.gz RAONILQSOIATNE-SFHVURJKSA-N 1 1 360.465 3.187 20 30 FGEDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000377987557 499753510 /nfs/dbraw/zinc/75/35/10/499753510.db2.gz BDFHAOVYRVYEIP-RAKKMVLPSA-N 1 1 373.522 3.205 20 30 FGEDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000377987557 499753511 /nfs/dbraw/zinc/75/35/11/499753511.db2.gz BDFHAOVYRVYEIP-RAKKMVLPSA-N 1 1 373.522 3.205 20 30 FGEDMO CC(C)(C#N)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000378146633 499760944 /nfs/dbraw/zinc/76/09/44/499760944.db2.gz DPNDESMRRYJCOI-MOPGFXCFSA-N 1 1 370.497 3.253 20 30 FGEDMO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cc(C#N)cs1 ZINC000414523937 499802849 /nfs/dbraw/zinc/80/28/49/499802849.db2.gz FZMVXZUBRFJADT-UYAOXDASSA-N 1 1 355.507 3.246 20 30 FGEDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cc(C#N)cs1 ZINC000414523937 499802850 /nfs/dbraw/zinc/80/28/50/499802850.db2.gz FZMVXZUBRFJADT-UYAOXDASSA-N 1 1 355.507 3.246 20 30 FGEDMO CSc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cc(C#N)n(C)c1)C(C)C ZINC000414555716 499808043 /nfs/dbraw/zinc/80/80/43/499808043.db2.gz MDDRIPSWJNFNHZ-SFHVURJKSA-N 1 1 373.522 3.269 20 30 FGEDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000414556765 499808649 /nfs/dbraw/zinc/80/86/49/499808649.db2.gz KPNCCBAHFNNWRL-OAQYLSRUSA-N 1 1 366.465 3.239 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)C(N)=O)cc1 ZINC000573295175 506163807 /nfs/dbraw/zinc/16/38/07/506163807.db2.gz DVRDRBUZNMAYMC-SJORKVTESA-N 1 1 361.367 3.095 20 30 FGEDMO N#CCCSCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000413011351 499904368 /nfs/dbraw/zinc/90/43/68/499904368.db2.gz IZTRLGCZOQXKEB-MRXNPFEDSA-N 1 1 351.903 3.240 20 30 FGEDMO N#Cc1ncc(C(F)(F)F)cc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000413209217 499927418 /nfs/dbraw/zinc/92/74/18/499927418.db2.gz ULIZMPJYMMIVHW-WBMJQRKESA-N 1 1 350.388 3.425 20 30 FGEDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000421096442 499952327 /nfs/dbraw/zinc/95/23/27/499952327.db2.gz XYRNLQXRGUPFDY-CQSZACIVSA-N 1 1 370.375 3.057 20 30 FGEDMO C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1cccc(C#N)c1 ZINC000425014932 499993753 /nfs/dbraw/zinc/99/37/53/499993753.db2.gz UQVYDQKJVWRNJM-VOQZNFBZSA-N 1 1 359.473 3.395 20 30 FGEDMO Cc1[nH+]ccn1CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000425091827 500017601 /nfs/dbraw/zinc/01/76/01/500017601.db2.gz YFBOUOKNDQUIHP-GFCCVEGCSA-N 1 1 350.344 3.151 20 30 FGEDMO COCC(C)(C)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000429248098 500033120 /nfs/dbraw/zinc/03/31/20/500033120.db2.gz YAQMLRIUUPOLCD-UHFFFAOYSA-N 1 1 360.502 3.387 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000416692979 500088721 /nfs/dbraw/zinc/08/87/21/500088721.db2.gz SIKGHVCOGLEIGC-QINHECLXSA-N 1 1 354.498 3.355 20 30 FGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000416706907 500093449 /nfs/dbraw/zinc/09/34/49/500093449.db2.gz ZDBSQBOGBXKZJR-YLJYHZDGSA-N 1 1 354.498 3.213 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000425423766 500101436 /nfs/dbraw/zinc/10/14/36/500101436.db2.gz ONLWTVIQMKQFEK-QMMLZNLJSA-N 1 1 371.525 3.451 20 30 FGEDMO CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000425472804 500115218 /nfs/dbraw/zinc/11/52/18/500115218.db2.gz IJOCQTQFBGMUHM-FUHWJXTLSA-N 1 1 374.554 3.291 20 30 FGEDMO CCn1nccc1C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000429717827 500130228 /nfs/dbraw/zinc/13/02/28/500130228.db2.gz MOMIASHTLYRXTF-UHFFFAOYSA-N 1 1 371.510 3.176 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000425530702 500133869 /nfs/dbraw/zinc/13/38/69/500133869.db2.gz GAKDPWUNTZEGSI-AWEZNQCLSA-N 1 1 357.404 3.188 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000425530702 500133875 /nfs/dbraw/zinc/13/38/75/500133875.db2.gz GAKDPWUNTZEGSI-AWEZNQCLSA-N 1 1 357.404 3.188 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000425529212 500133984 /nfs/dbraw/zinc/13/39/84/500133984.db2.gz BABIFLNAXWJVDI-OAHLLOKOSA-N 1 1 358.463 3.034 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000425529212 500133985 /nfs/dbraw/zinc/13/39/85/500133985.db2.gz BABIFLNAXWJVDI-OAHLLOKOSA-N 1 1 358.463 3.034 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000425530704 500134291 /nfs/dbraw/zinc/13/42/91/500134291.db2.gz GAKDPWUNTZEGSI-CQSZACIVSA-N 1 1 357.404 3.188 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCCc1c(F)cccc1F ZINC000425530704 500134296 /nfs/dbraw/zinc/13/42/96/500134296.db2.gz GAKDPWUNTZEGSI-CQSZACIVSA-N 1 1 357.404 3.188 20 30 FGEDMO Cc1cccc(OCCCNC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425530077 500134623 /nfs/dbraw/zinc/13/46/23/500134623.db2.gz DJALLYZXUSJTEH-GOSISDBHSA-N 1 1 365.477 3.445 20 30 FGEDMO Cc1cccc(OCCCNC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425530077 500134626 /nfs/dbraw/zinc/13/46/26/500134626.db2.gz DJALLYZXUSJTEH-GOSISDBHSA-N 1 1 365.477 3.445 20 30 FGEDMO COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425534454 500136273 /nfs/dbraw/zinc/13/62/73/500136273.db2.gz MCCDSDMZVAVLDH-HNNXBMFYSA-N 1 1 365.433 3.001 20 30 FGEDMO COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425534454 500136275 /nfs/dbraw/zinc/13/62/75/500136275.db2.gz MCCDSDMZVAVLDH-HNNXBMFYSA-N 1 1 365.433 3.001 20 30 FGEDMO COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539687 500137859 /nfs/dbraw/zinc/13/78/59/500137859.db2.gz UGSAMTVIGJTUSK-CRAIPNDOSA-N 1 1 370.449 3.008 20 30 FGEDMO COCc1ccc(CNC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425539660 500138335 /nfs/dbraw/zinc/13/83/35/500138335.db2.gz UERBXZQONCZXHH-INIZCTEOSA-N 1 1 351.450 3.014 20 30 FGEDMO COCc1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425539660 500138339 /nfs/dbraw/zinc/13/83/39/500138339.db2.gz UERBXZQONCZXHH-INIZCTEOSA-N 1 1 351.450 3.014 20 30 FGEDMO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccncc1Cl ZINC000421844710 500163049 /nfs/dbraw/zinc/16/30/49/500163049.db2.gz UIUDORJEEKEGGA-FZKQIMNGSA-N 1 1 354.841 3.453 20 30 FGEDMO C[C@H]1CCc2nc(C[N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)sc2C1 ZINC000430177388 500204796 /nfs/dbraw/zinc/20/47/96/500204796.db2.gz HXOXWDQGTHADIS-ZFWWWQNUSA-N 1 1 354.479 3.188 20 30 FGEDMO C[C@H]1CCc2nc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)sc2C1 ZINC000430177388 500204798 /nfs/dbraw/zinc/20/47/98/500204798.db2.gz HXOXWDQGTHADIS-ZFWWWQNUSA-N 1 1 354.479 3.188 20 30 FGEDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000430264699 500218154 /nfs/dbraw/zinc/21/81/54/500218154.db2.gz SHKJEXOGMZEHBH-QFIPXVFZSA-N 1 1 361.489 3.344 20 30 FGEDMO CC1=C[C@H](C)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000430292533 500222646 /nfs/dbraw/zinc/22/26/46/500222646.db2.gz XJKSNYCKGWMMKG-AWEZNQCLSA-N 1 1 350.384 3.071 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(C#N)s2)C1 ZINC000422215124 500235938 /nfs/dbraw/zinc/23/59/38/500235938.db2.gz HSHZDVYZQOSQEP-JKSUJKDBSA-N 1 1 360.527 3.416 20 30 FGEDMO C=CC[C@H](CC)NC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000418151658 500238288 /nfs/dbraw/zinc/23/82/88/500238288.db2.gz SUPGUZPSGNQJDC-KRWDZBQOSA-N 1 1 359.518 3.120 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC1(CC#N)CC1 ZINC000430855364 500297051 /nfs/dbraw/zinc/29/70/51/500297051.db2.gz SLJNGVLBXRAMHH-UHFFFAOYSA-N 1 1 366.465 3.405 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)NCC1(CC#N)CC1 ZINC000430855364 500297055 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ZINC000437791963 500696325 /nfs/dbraw/zinc/69/63/25/500696325.db2.gz INDHMEAWJOTITJ-SXLOBPIMSA-N 1 1 359.514 3.177 20 30 FGEDMO CC1(C)C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCCC2)O1 ZINC000443310490 500707555 /nfs/dbraw/zinc/70/75/55/500707555.db2.gz JLDRVBJPXDRBSS-IBGZPJMESA-N 1 1 367.493 3.477 20 30 FGEDMO CC1(C)C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCCC2)O1 ZINC000443310490 500707558 /nfs/dbraw/zinc/70/75/58/500707558.db2.gz JLDRVBJPXDRBSS-IBGZPJMESA-N 1 1 367.493 3.477 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437878125 500710771 /nfs/dbraw/zinc/71/07/71/500710771.db2.gz ORYUPDBEQISWJC-QFBILLFUSA-N 1 1 355.482 3.239 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000437984092 500725168 /nfs/dbraw/zinc/72/51/68/500725168.db2.gz GKFWMNDYJBHICS-UXHICEINSA-N 1 1 363.546 3.265 20 30 FGEDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443495821 500730802 /nfs/dbraw/zinc/73/08/02/500730802.db2.gz 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SKCJYEJJIRZWIZ-CEWLAPEOSA-N 1 1 369.509 3.176 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000455421175 501298009 /nfs/dbraw/zinc/29/80/09/501298009.db2.gz JBZFLOFPOYJKAE-WLRLJWMZSA-N 1 1 371.525 3.320 20 30 FGEDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000455458429 501307883 /nfs/dbraw/zinc/30/78/83/501307883.db2.gz MOWFBGZOGVBPDD-CQSZACIVSA-N 1 1 365.275 3.269 20 30 FGEDMO C=CCn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000453424965 501328366 /nfs/dbraw/zinc/32/83/66/501328366.db2.gz LNXVBLKHZDYHMX-MRXNPFEDSA-N 1 1 355.486 3.059 20 30 FGEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453456866 501337280 /nfs/dbraw/zinc/33/72/80/501337280.db2.gz WSKUMQRXHMNJSL-LTFXXXRZSA-N 1 1 373.545 3.118 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000453460973 501338461 /nfs/dbraw/zinc/33/84/61/501338461.db2.gz FJRPDTAACLHIGL-BZSNNMDCSA-N 1 1 361.534 3.405 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453461637 501338762 /nfs/dbraw/zinc/33/87/62/501338762.db2.gz GRGRAWGWQJCEMF-HKUYNNGSSA-N 1 1 373.545 3.406 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453464401 501339190 /nfs/dbraw/zinc/33/91/90/501339190.db2.gz RDVUXHSJKSAOPD-LNLFQRSKSA-N 1 1 373.545 3.405 20 30 FGEDMO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000453464150 501339237 /nfs/dbraw/zinc/33/92/37/501339237.db2.gz KJBZSKDIGFLBOA-QGZVFWFLSA-N 1 1 373.526 3.089 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453469405 501340630 /nfs/dbraw/zinc/34/06/30/501340630.db2.gz WMCWMPLDSZUMAZ-HCXYKTFWSA-N 1 1 373.545 3.262 20 30 FGEDMO CCCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1OC ZINC000451649087 501343747 /nfs/dbraw/zinc/34/37/47/501343747.db2.gz HQNBLRBSYYGKPP-WOJBJXKFSA-N 1 1 357.498 3.234 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000451655637 501345474 /nfs/dbraw/zinc/34/54/74/501345474.db2.gz YSAFGGNXTIFUHF-SQNIBIBYSA-N 1 1 350.890 3.430 20 30 FGEDMO C[C@H]1C[C@]1(C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000451699207 501354366 /nfs/dbraw/zinc/35/43/66/501354366.db2.gz UNUDEWXLVVBTBO-MDFGKDKASA-N 1 1 359.473 3.321 20 30 FGEDMO C=CCOc1c(Br)cc(CNC(C)(C)C[NH+](C)C)cc1OC ZINC000453603718 501359531 /nfs/dbraw/zinc/35/95/31/501359531.db2.gz YMDXNQOIUUABLN-UHFFFAOYSA-N 1 1 371.319 3.452 20 30 FGEDMO CC[C@H]1C[N@@H+](CC)CCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000451728099 501361282 /nfs/dbraw/zinc/36/12/82/501361282.db2.gz DGVVOZKUNYHNMN-HNNXBMFYSA-N 1 1 374.554 3.243 20 30 FGEDMO N#Cc1ncc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000455759116 501380140 /nfs/dbraw/zinc/38/01/40/501380140.db2.gz RBLUVXBNGDCCBJ-UHFFFAOYSA-N 1 1 369.856 3.177 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000455865683 501403017 /nfs/dbraw/zinc/40/30/17/501403017.db2.gz UAVBEZFSNKJMBD-FQEVSTJZSA-N 1 1 353.510 3.317 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1c1ccccc1 ZINC000452003746 501416942 /nfs/dbraw/zinc/41/69/42/501416942.db2.gz JAYTWPUMMQRRBO-WOJBJXKFSA-N 1 1 359.429 3.200 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452123401 501440031 /nfs/dbraw/zinc/44/00/31/501440031.db2.gz PMDXIIYBHJQSEZ-CVEARBPZSA-N 1 1 361.511 3.114 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](CCCO)C1 ZINC000452123401 501440033 /nfs/dbraw/zinc/44/00/33/501440033.db2.gz PMDXIIYBHJQSEZ-CVEARBPZSA-N 1 1 361.511 3.114 20 30 FGEDMO CC(C)n1cc(C2=CCC[N@H+]([C@@H](C)CC3(C#N)CCOCC3)CC2)nn1 ZINC000602677221 506258141 /nfs/dbraw/zinc/25/81/41/506258141.db2.gz WFGVDWYHWBETCH-KRWDZBQOSA-N 1 1 357.502 3.437 20 30 FGEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458831254 501539842 /nfs/dbraw/zinc/53/98/42/501539842.db2.gz GYUJMMBCUVCUEE-IBGZPJMESA-N 1 1 372.513 3.174 20 30 FGEDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458831254 501539846 /nfs/dbraw/zinc/53/98/46/501539846.db2.gz GYUJMMBCUVCUEE-IBGZPJMESA-N 1 1 372.513 3.174 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1F ZINC000456826914 501606496 /nfs/dbraw/zinc/60/64/96/501606496.db2.gz CNGABTGZUKFHCC-SFHVURJKSA-N 1 1 369.415 3.365 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000456844505 501609372 /nfs/dbraw/zinc/60/93/72/501609372.db2.gz SWGJTSJUZWSPLU-IBGZPJMESA-N 1 1 351.425 3.226 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000459282044 501624849 /nfs/dbraw/zinc/62/48/49/501624849.db2.gz COZGNZUARCLXLZ-UHFFFAOYSA-N 1 1 368.412 3.313 20 30 FGEDMO CN1CC[C@@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000459444217 501655016 /nfs/dbraw/zinc/65/50/16/501655016.db2.gz QTNGNTOLPRSSJC-IEBWSBKVSA-N 1 1 372.375 3.280 20 30 FGEDMO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C1 ZINC000459486495 501662403 /nfs/dbraw/zinc/66/24/03/501662403.db2.gz UYFFURAMFBWPGS-YESZJQIVSA-N 1 1 374.554 3.291 20 30 FGEDMO C=CCCN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000455049219 501678696 /nfs/dbraw/zinc/67/86/96/501678696.db2.gz MBGQHPJHPILBKZ-FQEVSTJZSA-N 1 1 371.525 3.133 20 30 FGEDMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1C(C)(C)C#N ZINC000459576662 501680298 /nfs/dbraw/zinc/68/02/98/501680298.db2.gz VSDNNGGWDMFJLJ-UHFFFAOYSA-N 1 1 354.498 3.487 20 30 FGEDMO COCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C1CC1 ZINC000467181669 501729779 /nfs/dbraw/zinc/72/97/79/501729779.db2.gz KPWCAADVPIKURR-UHFFFAOYSA-N 1 1 366.465 3.015 20 30 FGEDMO COCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C1CC1 ZINC000467181669 501729785 /nfs/dbraw/zinc/72/97/85/501729785.db2.gz KPWCAADVPIKURR-UHFFFAOYSA-N 1 1 366.465 3.015 20 30 FGEDMO C=CCNC(=O)c1ccc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000485186654 501750814 /nfs/dbraw/zinc/75/08/14/501750814.db2.gz IVOZSXXQFMMSCU-YLJYHZDGSA-N 1 1 364.493 3.320 20 30 FGEDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000470691347 501769839 /nfs/dbraw/zinc/76/98/39/501769839.db2.gz WEARUUYJFZGCDD-QGZVFWFLSA-N 1 1 367.449 3.333 20 30 FGEDMO Cc1cc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc(C#N)c1[N+](=O)[O-] ZINC000596138719 506274566 /nfs/dbraw/zinc/27/45/66/506274566.db2.gz DAUXWDMZAMDEIH-SFHVURJKSA-N 1 1 350.422 3.486 20 30 FGEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000460391077 501812752 /nfs/dbraw/zinc/81/27/52/501812752.db2.gz UPTHXKSVFMBSFI-DLBZAZTESA-N 1 1 354.502 3.144 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000470845286 501826475 /nfs/dbraw/zinc/82/64/75/501826475.db2.gz SEGRKULLUZAIKI-LJQANCHMSA-N 1 1 368.481 3.082 20 30 FGEDMO C=CCSc1ccccc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000485456295 501826523 /nfs/dbraw/zinc/82/65/23/501826523.db2.gz RJVOZAXUMHLFPF-SFHVURJKSA-N 1 1 373.566 3.207 20 30 FGEDMO C=CCSc1ccccc1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000485490953 501836440 /nfs/dbraw/zinc/83/64/40/501836440.db2.gz MRJSHNXRQIUJNE-UHFFFAOYSA-N 1 1 362.539 3.395 20 30 FGEDMO N#Cc1ccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)cc1C#N ZINC000485506860 501841286 /nfs/dbraw/zinc/84/12/86/501841286.db2.gz QZFTYLRPZZSGDS-UHFFFAOYSA-N 1 1 364.315 3.201 20 30 FGEDMO C[C@@H](NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000588374708 506281546 /nfs/dbraw/zinc/28/15/46/506281546.db2.gz WATDRGZCYCYKGF-DYESRHJHSA-N 1 1 362.477 3.188 20 30 FGEDMO C[C@@H](NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000588374708 506281553 /nfs/dbraw/zinc/28/15/53/506281553.db2.gz WATDRGZCYCYKGF-DYESRHJHSA-N 1 1 362.477 3.188 20 30 FGEDMO C[C@H](NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000588374712 506282048 /nfs/dbraw/zinc/28/20/48/506282048.db2.gz WATDRGZCYCYKGF-UWJYYQICSA-N 1 1 362.477 3.188 20 30 FGEDMO C[C@H](NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000588374712 506282054 /nfs/dbraw/zinc/28/20/54/506282054.db2.gz WATDRGZCYCYKGF-UWJYYQICSA-N 1 1 362.477 3.188 20 30 FGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000471210669 501956902 /nfs/dbraw/zinc/95/69/02/501956902.db2.gz MXKWJSFEKLOGIG-SJLPKXTDSA-N 1 1 374.554 3.149 20 30 FGEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000486044252 502028935 /nfs/dbraw/zinc/02/89/35/502028935.db2.gz VHNUGUCMDOHJDE-KBXCAEBGSA-N 1 1 365.433 3.495 20 30 FGEDMO C[N@H+]1C[C@@H](CNC(=O)c2cc3ccccc3n2CC#N)[C@H](c2ccccc2)C1 ZINC000592883136 506291095 /nfs/dbraw/zinc/29/10/95/506291095.db2.gz XMZSRDUVCQHGIN-UXHICEINSA-N 1 1 372.472 3.240 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000471612544 502087925 /nfs/dbraw/zinc/08/79/25/502087925.db2.gz TTYCUKLZYWPAMQ-FQEVSTJZSA-N 1 1 359.514 3.131 20 30 FGEDMO CC[C@H](C)c1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)on1 ZINC000479287246 502215569 /nfs/dbraw/zinc/21/55/69/502215569.db2.gz WLEIPZBMEFQPPR-INIZCTEOSA-N 1 1 366.465 3.476 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)s2)C[C@H](C)O1 ZINC000486709180 502239144 /nfs/dbraw/zinc/23/91/44/502239144.db2.gz QELZRNWSBLBCTM-GJZGRUSLSA-N 1 1 369.490 3.159 20 30 FGEDMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000475742409 502276287 /nfs/dbraw/zinc/27/62/87/502276287.db2.gz PJLBOOPZNBTCQA-SFHVURJKSA-N 1 1 371.868 3.340 20 30 FGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000475742409 502276293 /nfs/dbraw/zinc/27/62/93/502276293.db2.gz PJLBOOPZNBTCQA-SFHVURJKSA-N 1 1 371.868 3.340 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(CNc3nc(C)cc(C)c3C#N)cc2)CC1 ZINC000486962564 502316823 /nfs/dbraw/zinc/31/68/23/502316823.db2.gz DVYURMHQGSMOAV-UHFFFAOYSA-N 1 1 363.509 3.320 20 30 FGEDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479613278 502318925 /nfs/dbraw/zinc/31/89/25/502318925.db2.gz NVNPJWNVHCNMKX-HNNXBMFYSA-N 1 1 351.475 3.486 20 30 FGEDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000479613278 502318930 /nfs/dbraw/zinc/31/89/30/502318930.db2.gz NVNPJWNVHCNMKX-HNNXBMFYSA-N 1 1 351.475 3.486 20 30 FGEDMO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000483273411 502335590 /nfs/dbraw/zinc/33/55/90/502335590.db2.gz YMGLCGDAPLLRAQ-VGSWGCGISA-N 1 1 365.525 3.333 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C#N)n(C)c1 ZINC000483273411 502335597 /nfs/dbraw/zinc/33/55/97/502335597.db2.gz YMGLCGDAPLLRAQ-VGSWGCGISA-N 1 1 365.525 3.333 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C#N)n(C)c1 ZINC000483273411 502335602 /nfs/dbraw/zinc/33/56/02/502335602.db2.gz YMGLCGDAPLLRAQ-VGSWGCGISA-N 1 1 365.525 3.333 20 30 FGEDMO C[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)[N@@H+](C)Cc1ccccc1 ZINC000469283394 502360745 /nfs/dbraw/zinc/36/07/45/502360745.db2.gz SQMFKGBQLVAQTK-MRXNPFEDSA-N 1 1 374.444 3.464 20 30 FGEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1)C(C)C ZINC000476026703 502362017 /nfs/dbraw/zinc/36/20/17/502362017.db2.gz CGOJLBNNDCGDJB-XLIONFOSSA-N 1 1 372.557 3.453 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000462259561 502370426 /nfs/dbraw/zinc/37/04/26/502370426.db2.gz NOYWYRPYQDSFSH-KXBFYZLASA-N 1 1 364.449 3.209 20 30 FGEDMO COc1cccc(C2=CC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000479880489 502406928 /nfs/dbraw/zinc/40/69/28/502406928.db2.gz ATKQNTKNRJVZGJ-QFIPXVFZSA-N 1 1 373.456 3.461 20 30 FGEDMO COc1cccc(C2=CC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000479880489 502406929 /nfs/dbraw/zinc/40/69/29/502406929.db2.gz ATKQNTKNRJVZGJ-QFIPXVFZSA-N 1 1 373.456 3.461 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000483546975 502428025 /nfs/dbraw/zinc/42/80/25/502428025.db2.gz UNUNGSHSSIQGTP-UHFFFAOYSA-N 1 1 353.441 3.414 20 30 FGEDMO CCC[N@@H+](CC)CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000472764106 502433792 /nfs/dbraw/zinc/43/37/92/502433792.db2.gz HKLLGIGALLHXRK-UHFFFAOYSA-N 1 1 371.510 3.459 20 30 FGEDMO Cc1ccc(-c2noc([C@H](C)N3CC[NH+]([C@H](C)CCC#N)CC3)n2)cc1 ZINC000472776830 502437899 /nfs/dbraw/zinc/43/78/99/502437899.db2.gz UMXAUNKDIVZYOO-SJORKVTESA-N 1 1 353.470 3.416 20 30 FGEDMO C=CCCC1(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000476384937 502474898 /nfs/dbraw/zinc/47/48/98/502474898.db2.gz HWCCJQLLJDNNRQ-UHFFFAOYSA-N 1 1 361.917 3.325 20 30 FGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000473005420 502496703 /nfs/dbraw/zinc/49/67/03/502496703.db2.gz AUJYNEVZMVACKM-RTWAWAEBSA-N 1 1 352.478 3.361 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000483924115 502523029 /nfs/dbraw/zinc/52/30/29/502523029.db2.gz MCXJXJUIUNUISD-HNNXBMFYSA-N 1 1 362.412 3.422 20 30 FGEDMO C=CCCC1(C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CC1 ZINC000476559358 502524349 /nfs/dbraw/zinc/52/43/49/502524349.db2.gz JGQFYSCNEGESHT-UHFFFAOYSA-N 1 1 355.482 3.036 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)o3)C2=O)cc1 ZINC000480308746 502533755 /nfs/dbraw/zinc/53/37/55/502533755.db2.gz OBQAICQHDITZNV-HNNXBMFYSA-N 1 1 374.238 3.199 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3nccn3-c3ccccc3)C2=O)cc1 ZINC000480310855 502535235 /nfs/dbraw/zinc/53/52/35/502535235.db2.gz URTGBSFTRYBHGN-HXUWFJFHSA-N 1 1 371.444 3.029 20 30 FGEDMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)ccc1C#N ZINC000488234519 502665312 /nfs/dbraw/zinc/66/53/12/502665312.db2.gz RKLYPPFQFLKZKU-LJQANCHMSA-N 1 1 352.413 3.402 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1OC ZINC000463035562 502668777 /nfs/dbraw/zinc/66/87/77/502668777.db2.gz RDYMGGVNKTZJCT-JOCHJYFZSA-N 1 1 353.462 3.396 20 30 FGEDMO C[C@@H]1C[NH+](CCCc2ccccc2Br)C[C@@H](C)N1CC#N ZINC000602852929 506328204 /nfs/dbraw/zinc/32/82/04/506328204.db2.gz DVEUXNYYQWDWDR-HUUCEWRRSA-N 1 1 350.304 3.300 20 30 FGEDMO N#Cc1cccc(OCCC[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000477149054 502691374 /nfs/dbraw/zinc/69/13/74/502691374.db2.gz KRLITPHFZJJIAJ-UHFFFAOYSA-N 1 1 364.424 3.160 20 30 FGEDMO CCOC(=O)[C@](C)(O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000463239625 502732732 /nfs/dbraw/zinc/73/27/32/502732732.db2.gz YLAZXOAZCLVULK-OAQYLSRUSA-N 1 1 370.424 3.014 20 30 FGEDMO CCOC(=O)[C@@](C)(O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000463239624 502732773 /nfs/dbraw/zinc/73/27/73/502732773.db2.gz YLAZXOAZCLVULK-NRFANRHFSA-N 1 1 370.424 3.014 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602873180 506332697 /nfs/dbraw/zinc/33/26/97/506332697.db2.gz HOOMRFZAOOKQFT-SUMWQHHRSA-N 1 1 374.554 3.098 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000467036435 502766180 /nfs/dbraw/zinc/76/61/80/502766180.db2.gz SCSUTWPRAJEBQP-WBMJQRKESA-N 1 1 368.399 3.483 20 30 FGEDMO C=CCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000467103868 502788030 /nfs/dbraw/zinc/78/80/30/502788030.db2.gz KMGATLGKGIEHBS-MRXNPFEDSA-N 1 1 355.404 3.497 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000467115785 502791155 /nfs/dbraw/zinc/79/11/55/502791155.db2.gz IXIXBGMBHCVHFH-MAUKXSAKSA-N 1 1 364.449 3.351 20 30 FGEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000481258385 502798743 /nfs/dbraw/zinc/79/87/43/502798743.db2.gz ONSCUADWSRLPQB-UHFFFAOYSA-N 1 1 354.454 3.454 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000488755980 502803136 /nfs/dbraw/zinc/80/31/36/502803136.db2.gz VAZGLGYVNNTJDU-JXFKEZNVSA-N 1 1 366.461 3.349 20 30 FGEDMO C=CCSCCNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000509178713 502842029 /nfs/dbraw/zinc/84/20/29/502842029.db2.gz OAZHLBUZPTUPJA-IBGZPJMESA-N 1 1 361.555 3.459 20 30 FGEDMO C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)[N@@H+]1CCc2sccc2C1 ZINC000505362544 502893861 /nfs/dbraw/zinc/89/38/61/502893861.db2.gz QEOYGGNCUILIBG-LBPRGKRZSA-N 1 1 359.882 3.450 20 30 FGEDMO C[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)[N@H+]1CCc2sccc2C1 ZINC000505362544 502893862 /nfs/dbraw/zinc/89/38/62/502893862.db2.gz QEOYGGNCUILIBG-LBPRGKRZSA-N 1 1 359.882 3.450 20 30 FGEDMO C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000513376698 502918398 /nfs/dbraw/zinc/91/83/98/502918398.db2.gz PBXJXHYDMKJSFC-SFHVURJKSA-N 1 1 367.468 3.420 20 30 FGEDMO C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000513376698 502918399 /nfs/dbraw/zinc/91/83/99/502918399.db2.gz PBXJXHYDMKJSFC-SFHVURJKSA-N 1 1 367.468 3.420 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000513397173 502926353 /nfs/dbraw/zinc/92/63/53/502926353.db2.gz JPSKHZYANIICEK-MSOLQXFVSA-N 1 1 358.482 3.128 20 30 FGEDMO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000599143752 506342945 /nfs/dbraw/zinc/34/29/45/506342945.db2.gz XLPQHBGRCDHZKD-IBGZPJMESA-N 1 1 365.437 3.208 20 30 FGEDMO CC(C)CCOCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000501122234 502944058 /nfs/dbraw/zinc/94/40/58/502944058.db2.gz PZBZTMGGSFUANP-UHFFFAOYSA-N 1 1 352.482 3.291 20 30 FGEDMO Cc1cc(C(=O)NCC[N@H+](C)C2CCCCC2)nn1-c1cccc(C#N)c1 ZINC000505787088 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1 1 362.539 3.271 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911660 506347966 /nfs/dbraw/zinc/34/79/66/506347966.db2.gz HQMXZFPPGLHPIM-HNNXBMFYSA-N 1 1 359.433 3.032 20 30 FGEDMO CN(CCC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]1(C)c1ccccc1 ZINC000599152732 506349295 /nfs/dbraw/zinc/34/92/95/506349295.db2.gz NXOUYGXBDTYXGJ-GMAHTHKFSA-N 1 1 361.489 3.448 20 30 FGEDMO Cc1nc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)ccc1C#N ZINC000497917944 503066951 /nfs/dbraw/zinc/06/69/51/503066951.db2.gz MBNFZRQJBLXSDB-UHFFFAOYSA-N 1 1 370.456 3.373 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCC2(C#N)CCCCC2)cc1 ZINC000599154868 506350225 /nfs/dbraw/zinc/35/02/25/506350225.db2.gz NVDIXPJRLRNLQX-SFHVURJKSA-N 1 1 370.497 3.043 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCC2(C#N)CCCCC2)cc1 ZINC000599154868 506350227 /nfs/dbraw/zinc/35/02/27/506350227.db2.gz NVDIXPJRLRNLQX-SFHVURJKSA-N 1 1 370.497 3.043 20 30 FGEDMO C=CCOc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1OC ZINC000506384274 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359.473 3.315 20 30 FGEDMO CC[N@@H+](CCC(=O)NCC(=O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000511118132 503259493 /nfs/dbraw/zinc/25/94/93/503259493.db2.gz ZQZPFZZSUJWNRL-KRWDZBQOSA-N 1 1 363.461 3.330 20 30 FGEDMO C=CCc1ccc(OCC(=O)Nc2cc(C)c3[nH+]ccn3c2)c(OC)c1 ZINC000502927178 503309436 /nfs/dbraw/zinc/30/94/36/503309436.db2.gz WALMVRGYNGGJKC-UHFFFAOYSA-N 1 1 351.406 3.397 20 30 FGEDMO Cc1cc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)nn1-c1cccc(C#N)c1 ZINC000503088170 503344435 /nfs/dbraw/zinc/34/44/35/503344435.db2.gz XEQQUKXKBKMSFM-UHFFFAOYSA-N 1 1 371.444 3.145 20 30 FGEDMO Cc1cc(C(=O)N2CC[N@H+](C)Cc3ccccc32)nn1-c1cccc(C#N)c1 ZINC000503088170 503344436 /nfs/dbraw/zinc/34/44/36/503344436.db2.gz XEQQUKXKBKMSFM-UHFFFAOYSA-N 1 1 371.444 3.145 20 30 FGEDMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1SC ZINC000507709912 503352584 /nfs/dbraw/zinc/35/25/84/503352584.db2.gz OKMMLJPIFBQKEM-LIRRHRJNSA-N 1 1 363.527 3.292 20 30 FGEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1SC ZINC000507709912 503352588 /nfs/dbraw/zinc/35/25/88/503352588.db2.gz OKMMLJPIFBQKEM-LIRRHRJNSA-N 1 1 363.527 3.292 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000515502229 503352964 /nfs/dbraw/zinc/35/29/64/503352964.db2.gz ZXOLVALACTVFOU-NHCUHLMSSA-N 1 1 350.462 3.395 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC000503166806 503358784 /nfs/dbraw/zinc/35/87/84/503358784.db2.gz GLXVNYIXTDYSJN-IBGZPJMESA-N 1 1 355.482 3.314 20 30 FGEDMO C=CC[N@H+](C[C@@H]1CCO[C@H](CC)C1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000507803854 503369641 /nfs/dbraw/zinc/36/96/41/503369641.db2.gz LQOHAGBSDAYEDV-MBOZVWFJSA-N 1 1 355.486 3.417 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000492788061 503385366 /nfs/dbraw/zinc/38/53/66/503385366.db2.gz HLRBJBACEWZHKP-MRXNPFEDSA-N 1 1 358.239 3.369 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000492788061 503385370 /nfs/dbraw/zinc/38/53/70/503385370.db2.gz HLRBJBACEWZHKP-MRXNPFEDSA-N 1 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20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000504790531 503616142 /nfs/dbraw/zinc/61/61/42/503616142.db2.gz VAPYRVUTXOZFHR-IBGZPJMESA-N 1 1 369.415 3.332 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512851914 503645011 /nfs/dbraw/zinc/64/50/11/503645011.db2.gz QXECOJMAXDLCPW-KBPBESRZSA-N 1 1 358.454 3.212 20 30 FGEDMO CCOc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000495045033 503652160 /nfs/dbraw/zinc/65/21/60/503652160.db2.gz KMCNHAPYBUBQOJ-UHFFFAOYSA-N 1 1 353.441 3.414 20 30 FGEDMO Cc1cc(NC(=O)NCCCC#N)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000543315163 503721394 /nfs/dbraw/zinc/72/13/94/503721394.db2.gz FNRDDDJBESFHND-GOSISDBHSA-N 1 1 366.469 3.064 20 30 FGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 ZINC000517640672 503793111 /nfs/dbraw/zinc/79/31/11/503793111.db2.gz SMPLWRINOQYABL-SJORKVTESA-N 1 1 357.498 3.342 20 30 FGEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533294548 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/nfs/dbraw/zinc/92/97/19/503929719.db2.gz LHEUJTDIIMFDOK-HZPDHXFCSA-N 1 1 365.481 3.002 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537561294 503953647 /nfs/dbraw/zinc/95/36/47/503953647.db2.gz LHNFCKZYADZJKV-GOSISDBHSA-N 1 1 373.545 3.456 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000537561294 503953652 /nfs/dbraw/zinc/95/36/52/503953652.db2.gz LHNFCKZYADZJKV-GOSISDBHSA-N 1 1 373.545 3.456 20 30 FGEDMO C=CCCOCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000533833056 503963892 /nfs/dbraw/zinc/96/38/92/503963892.db2.gz JYLNMKBAPGLOQP-JOCHJYFZSA-N 1 1 371.525 3.277 20 30 FGEDMO N#Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c1 ZINC000527844051 503969112 /nfs/dbraw/zinc/96/91/12/503969112.db2.gz HEBAVQLDCZFEFK-IBGZPJMESA-N 1 1 353.853 3.492 20 30 FGEDMO N#Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c1 ZINC000527844051 503969116 /nfs/dbraw/zinc/96/91/16/503969116.db2.gz HEBAVQLDCZFEFK-IBGZPJMESA-N 1 1 353.853 3.492 20 30 FGEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)C3(c4cccc(C#N)c4)CC3)sc2C1 ZINC000544059450 503991422 /nfs/dbraw/zinc/99/14/22/503991422.db2.gz BKFHXXOVUBLECH-UHFFFAOYSA-N 1 1 366.490 3.452 20 30 FGEDMO CC(C)[N@H+]1CCc2nc(NC(=O)C3(c4cccc(C#N)c4)CC3)sc2C1 ZINC000544059450 503991425 /nfs/dbraw/zinc/99/14/25/503991425.db2.gz BKFHXXOVUBLECH-UHFFFAOYSA-N 1 1 366.490 3.452 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1C#N ZINC000537682505 504003231 /nfs/dbraw/zinc/00/32/31/504003231.db2.gz VSKHRVUILSSCML-QGZVFWFLSA-N 1 1 374.444 3.359 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2ccc(C#N)nc2)C1 ZINC000527982511 504026454 /nfs/dbraw/zinc/02/64/54/504026454.db2.gz SLSXYLLAKLQKBA-KRWDZBQOSA-N 1 1 362.477 3.044 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)o2)c1 ZINC000534103009 504042303 /nfs/dbraw/zinc/04/23/03/504042303.db2.gz NXXNBXXXSQMPAF-IRXDYDNUSA-N 1 1 370.478 3.095 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+](C[C@@H]3CCCO3)[C@H]3CCSC3)o2)c1 ZINC000534103009 504042309 /nfs/dbraw/zinc/04/23/09/504042309.db2.gz NXXNBXXXSQMPAF-IRXDYDNUSA-N 1 1 370.478 3.095 20 30 FGEDMO C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCCC[C@@H]1C ZINC000544299254 504079121 /nfs/dbraw/zinc/07/91/21/504079121.db2.gz LBYHNNGVPMZGOJ-IRXDYDNUSA-N 1 1 354.498 3.495 20 30 FGEDMO C=CCc1cc(C(=O)N(CC)C[C@H]2CCC[N@H+]2CC)cc(OC)c1OC ZINC000547477327 504120907 /nfs/dbraw/zinc/12/09/07/504120907.db2.gz GJPPUYGGBPMMHR-GOSISDBHSA-N 1 1 360.498 3.379 20 30 FGEDMO COC(=O)c1cccc(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1C#N ZINC000534471744 504150970 /nfs/dbraw/zinc/15/09/70/504150970.db2.gz ADNCDEOQORRJNW-VLIAUNLRSA-N 1 1 350.418 3.169 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1C#N ZINC000534471744 504150974 /nfs/dbraw/zinc/15/09/74/504150974.db2.gz ADNCDEOQORRJNW-VLIAUNLRSA-N 1 1 350.418 3.169 20 30 FGEDMO C=CCOc1cccnc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000538248182 504176675 /nfs/dbraw/zinc/17/66/75/504176675.db2.gz MCVLGUVPXMHFNV-INIZCTEOSA-N 1 1 359.857 3.333 20 30 FGEDMO C[N@@H+](CC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)[C@H]1CCSC1 ZINC000534589764 504185573 /nfs/dbraw/zinc/18/55/73/504185573.db2.gz LJYCCWVRWZMDIO-GXFFZTMASA-N 1 1 358.294 3.112 20 30 FGEDMO Cc1nnc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000531095320 504187119 /nfs/dbraw/zinc/18/71/19/504187119.db2.gz VGMJCRWQDUFRPF-QFIPXVFZSA-N 1 1 361.493 3.458 20 30 FGEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000528392844 504203114 /nfs/dbraw/zinc/20/31/14/504203114.db2.gz HDYSBIKFVILWNU-QHAWAJNXSA-N 1 1 361.445 3.070 20 30 FGEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000528392844 504203120 /nfs/dbraw/zinc/20/31/20/504203120.db2.gz HDYSBIKFVILWNU-QHAWAJNXSA-N 1 1 361.445 3.070 20 30 FGEDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)Cc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000531146989 504206413 /nfs/dbraw/zinc/20/64/13/504206413.db2.gz JKJRQEZVSYZSQS-IRXDYDNUSA-N 1 1 363.461 3.349 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000531246570 504242331 /nfs/dbraw/zinc/24/23/31/504242331.db2.gz WSRQNWKYVKHESZ-HXUWFJFHSA-N 1 1 356.514 3.456 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2cc(C3CC3)ccc2F)c1 ZINC000519699094 504308022 /nfs/dbraw/zinc/30/80/22/504308022.db2.gz MESYGYQIWCOVLP-UHFFFAOYSA-N 1 1 358.438 3.138 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000531443032 504308182 /nfs/dbraw/zinc/30/81/82/504308182.db2.gz WIOZBSQOEJAAAH-NRSPTQNISA-N 1 1 366.509 3.485 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CC#N)CC2)[C@H]1c1cccs1 ZINC000541969043 504318078 /nfs/dbraw/zinc/31/80/78/504318078.db2.gz YEXJZMSRPHIQAG-WMZOPIPTSA-N 1 1 360.527 3.466 20 30 FGEDMO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)c(OC)c1 ZINC000528667778 504322278 /nfs/dbraw/zinc/32/22/78/504322278.db2.gz DHAVJWZGTLTHAI-BLLLJJGKSA-N 1 1 371.462 3.093 20 30 FGEDMO CC(=O)N1CC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@@H](C)C1 ZINC000538728075 504346616 /nfs/dbraw/zinc/34/66/16/504346616.db2.gz SYSKEOXRXVQWDY-KRWDZBQOSA-N 1 1 363.461 3.190 20 30 FGEDMO CC(=O)N1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@@H](C)C1 ZINC000538728075 504346620 /nfs/dbraw/zinc/34/66/20/504346620.db2.gz SYSKEOXRXVQWDY-KRWDZBQOSA-N 1 1 363.461 3.190 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(CC#N)cc2)C1 ZINC000519825549 504355211 /nfs/dbraw/zinc/35/52/11/504355211.db2.gz SKOOFKRVAXIDQW-QGZVFWFLSA-N 1 1 356.514 3.452 20 30 FGEDMO C[C@]1(CO)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@]1(C)CO ZINC000528750680 504362982 /nfs/dbraw/zinc/36/29/82/504362982.db2.gz HYQRUNFDABGTKT-SZPZYZBQSA-N 1 1 350.462 3.038 20 30 FGEDMO CC(C)Oc1ccc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1Cl ZINC000548295734 504389815 /nfs/dbraw/zinc/38/98/15/504389815.db2.gz FUGSXFPXHDSOIM-UHFFFAOYSA-N 1 1 361.877 3.199 20 30 FGEDMO N#CCc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000542211833 504408444 /nfs/dbraw/zinc/40/84/44/504408444.db2.gz SDACNYNBRYAONZ-UHFFFAOYSA-N 1 1 367.880 3.293 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(OC)cc1OC ZINC000520130333 504416719 /nfs/dbraw/zinc/41/67/19/504416719.db2.gz VHYWXABGNXIOQA-UHFFFAOYSA-N 1 1 354.450 3.373 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(OC)cc1OC ZINC000520130333 504416726 /nfs/dbraw/zinc/41/67/26/504416726.db2.gz VHYWXABGNXIOQA-UHFFFAOYSA-N 1 1 354.450 3.373 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)Cc1cccc(Br)c1 ZINC000531841514 504442374 /nfs/dbraw/zinc/44/23/74/504442374.db2.gz KXFIZCUNROQYQI-CQSZACIVSA-N 1 1 366.303 3.279 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)Cc1cccc(Br)c1 ZINC000531841514 504442376 /nfs/dbraw/zinc/44/23/76/504442376.db2.gz KXFIZCUNROQYQI-CQSZACIVSA-N 1 1 366.303 3.279 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000548617457 504498723 /nfs/dbraw/zinc/49/87/23/504498723.db2.gz GJQUDLHSTWNGEZ-KBXCAEBGSA-N 1 1 363.889 3.078 20 30 FGEDMO CC[C@H](CC#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000529036887 504504665 /nfs/dbraw/zinc/50/46/65/504504665.db2.gz VDHPROCTUHWIAQ-QHAWAJNXSA-N 1 1 362.477 3.106 20 30 FGEDMO C=CCOc1cccnc1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000539337747 504534025 /nfs/dbraw/zinc/53/40/25/504534025.db2.gz VFTUHEWEKZONBH-AEFFLSMTSA-N 1 1 351.450 3.212 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000535760906 504536505 /nfs/dbraw/zinc/53/65/05/504536505.db2.gz FTHUBCJTHULLIL-GOSISDBHSA-N 1 1 352.482 3.087 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)CN(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000532352361 504621135 /nfs/dbraw/zinc/62/11/35/504621135.db2.gz QLZQUTLUUGPRBM-DYXWJJEUSA-N 1 1 370.541 3.152 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC#N)CC1 ZINC000542881136 504645940 /nfs/dbraw/zinc/64/59/40/504645940.db2.gz YSVUBNOUQAYPPO-KRWDZBQOSA-N 1 1 365.481 3.442 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000532434737 504650660 /nfs/dbraw/zinc/65/06/60/504650660.db2.gz WHMLGUNEWWYRMX-WOJBJXKFSA-N 1 1 373.497 3.406 20 30 FGEDMO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000542942324 504666603 /nfs/dbraw/zinc/66/66/03/504666603.db2.gz NOBUGGBJAMQAOC-GHTZIAJQSA-N 1 1 364.578 3.263 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)c1 ZINC000546035450 504682714 /nfs/dbraw/zinc/68/27/14/504682714.db2.gz WMEQPHSYQDMJSP-NRFANRHFSA-N 1 1 358.401 3.240 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@]4(C3)OCc3ccccc34)o2)c1 ZINC000546035450 504682718 /nfs/dbraw/zinc/68/27/18/504682718.db2.gz WMEQPHSYQDMJSP-NRFANRHFSA-N 1 1 358.401 3.240 20 30 FGEDMO CC(C)[N@H+]1CCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000532547025 504687986 /nfs/dbraw/zinc/68/79/86/504687986.db2.gz QRXWXERKBBGJRV-QGZVFWFLSA-N 1 1 374.554 3.293 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c(-c2ccccc2)n1 ZINC000539890650 504731214 /nfs/dbraw/zinc/73/12/14/504731214.db2.gz BFVMOHZMKHTWEW-ICSRJNTNSA-N 1 1 350.466 3.465 20 30 FGEDMO N#CC1(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCC1 ZINC000521466499 504741963 /nfs/dbraw/zinc/74/19/63/504741963.db2.gz RPSQQZBDMUDCAU-LEWJYISDSA-N 1 1 359.473 3.465 20 30 FGEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000536603618 504768579 /nfs/dbraw/zinc/76/85/79/504768579.db2.gz VVOYIQYYYMYBBC-IAGOWNOFSA-N 1 1 363.461 3.302 20 30 FGEDMO N#Cc1ccc(CC(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)cc1 ZINC000552869990 504778888 /nfs/dbraw/zinc/77/88/88/504778888.db2.gz AGGYKHDCXWOQCA-FQEVSTJZSA-N 1 1 359.429 3.341 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000549397779 504809248 /nfs/dbraw/zinc/80/92/48/504809248.db2.gz QPFMXBIGPBTFFX-BETUJISGSA-N 1 1 368.403 3.070 20 30 FGEDMO CO[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C12CCC2 ZINC000556330111 504846095 /nfs/dbraw/zinc/84/60/95/504846095.db2.gz RSXJKDZINBYQEL-DLBZAZTESA-N 1 1 373.522 3.326 20 30 FGEDMO CCc1nc2cc(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)ccc2n1C1CC1 ZINC000549557119 504849073 /nfs/dbraw/zinc/84/90/73/504849073.db2.gz 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Cc1n[nH]cc1C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000556514902 504893954 /nfs/dbraw/zinc/89/39/54/504893954.db2.gz JQQBGOUSGGGNQT-ZDUSSCGKSA-N 1 1 371.872 3.450 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000565545482 504918675 /nfs/dbraw/zinc/91/86/75/504918675.db2.gz XDCGPSUPTPQELL-GOSISDBHSA-N 1 1 355.486 3.136 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@H]3CCC[N@H+]3C)sc2C1 ZINC000562934504 504992615 /nfs/dbraw/zinc/99/26/15/504992615.db2.gz UBKQTZYORIVTST-HUUCEWRRSA-N 1 1 374.554 3.099 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3CCCN3C)sc2C1 ZINC000562934504 504992618 /nfs/dbraw/zinc/99/26/18/504992618.db2.gz UBKQTZYORIVTST-HUUCEWRRSA-N 1 1 374.554 3.099 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@H]3CCCN3C)sc2C1 ZINC000562934504 504992620 /nfs/dbraw/zinc/99/26/20/504992620.db2.gz UBKQTZYORIVTST-HUUCEWRRSA-N 1 1 374.554 3.099 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000565816076 504996291 /nfs/dbraw/zinc/99/62/91/504996291.db2.gz LXKQVPYXVVEPTD-GFOJFJKKSA-N 1 1 369.509 3.337 20 30 FGEDMO C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000565850749 505005911 /nfs/dbraw/zinc/00/59/11/505005911.db2.gz HCMJQMXYJAQUQW-SFTDATJTSA-N 1 1 365.477 3.496 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000560178646 505012846 /nfs/dbraw/zinc/01/28/46/505012846.db2.gz TYOYZYWEXJGFBG-ZWKOTPCHSA-N 1 1 361.873 3.230 20 30 FGEDMO Cc1cc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ncc1C#N ZINC000565877838 505014661 /nfs/dbraw/zinc/01/46/61/505014661.db2.gz OIMBRJDORYFFNN-HKUYNNGSSA-N 1 1 362.477 3.292 20 30 FGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000556956904 505030308 /nfs/dbraw/zinc/03/03/08/505030308.db2.gz YLLQPFBMRVHARK-OAHLLOKOSA-N 1 1 374.506 3.458 20 30 FGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000556956904 505030327 /nfs/dbraw/zinc/03/03/27/505030327.db2.gz YLLQPFBMRVHARK-OAHLLOKOSA-N 1 1 374.506 3.458 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1 ZINC000550433665 505042958 /nfs/dbraw/zinc/04/29/58/505042958.db2.gz PCDMAHJZOXHKAO-JOCHJYFZSA-N 1 1 371.525 3.281 20 30 FGEDMO N#C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C1CCCCC1 ZINC000565986070 505046284 /nfs/dbraw/zinc/04/62/84/505046284.db2.gz SJNXTQBNIMQONL-HNNXBMFYSA-N 1 1 359.380 3.407 20 30 FGEDMO Cc1nsc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000563120786 505052762 /nfs/dbraw/zinc/05/27/62/505052762.db2.gz VPGNPGSOZSPMBP-BBRMVZONSA-N 1 1 369.494 3.355 20 30 FGEDMO C=CCCCCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000550519432 505057623 /nfs/dbraw/zinc/05/76/23/505057623.db2.gz OPIZSKGKSWCWCG-SFHVURJKSA-N 1 1 371.525 3.150 20 30 FGEDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1ncc(Br)cc1C#N ZINC000566049983 505064912 /nfs/dbraw/zinc/06/49/12/505064912.db2.gz WQPSRWXBSOHADE-AWEZNQCLSA-N 1 1 360.259 3.144 20 30 FGEDMO Cc1oc(C2CC2)nc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000560430878 505081642 /nfs/dbraw/zinc/08/16/42/505081642.db2.gz ZHNMPRWOFDEMIR-UHFFFAOYSA-N 1 1 364.449 3.080 20 30 FGEDMO Cc1oc(C2CC2)nc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000560430878 505081643 /nfs/dbraw/zinc/08/16/43/505081643.db2.gz ZHNMPRWOFDEMIR-UHFFFAOYSA-N 1 1 364.449 3.080 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(CCC#N)CC1 ZINC000566152243 505098533 /nfs/dbraw/zinc/09/85/33/505098533.db2.gz OIMWBPSBVCYFBY-PXNSSMCTSA-N 1 1 354.498 3.232 20 30 FGEDMO CCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000560587837 505134685 /nfs/dbraw/zinc/13/46/85/505134685.db2.gz DIRXDWVCOMLVFB-GOSISDBHSA-N 1 1 363.465 3.236 20 30 FGEDMO C[C@@H](C#N)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557448744 505137237 /nfs/dbraw/zinc/13/72/37/505137237.db2.gz NARZGAVTCMBENY-RXVVDRJESA-N 1 1 362.477 3.234 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Cc1c(F)cccc1C#N)C1CC1 ZINC000560639029 505151568 /nfs/dbraw/zinc/15/15/68/505151568.db2.gz HJEMQVRNWFVFMR-OAQYLSRUSA-N 1 1 365.452 3.267 20 30 FGEDMO C=CCCC1(C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000557566701 505169371 /nfs/dbraw/zinc/16/93/71/505169371.db2.gz RKVBENXEXOXWLB-NRFANRHFSA-N 1 1 367.537 3.152 20 30 FGEDMO C=CCCC1(C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000557566704 505169463 /nfs/dbraw/zinc/16/94/63/505169463.db2.gz RKVBENXEXOXWLB-OAQYLSRUSA-N 1 1 367.537 3.152 20 30 FGEDMO C=C(C)C[C@@H](C)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560736515 505172668 /nfs/dbraw/zinc/17/26/68/505172668.db2.gz SLJCCUMJFAIHNT-TZIWHRDSSA-N 1 1 355.526 3.007 20 30 FGEDMO C[C@H](c1cccnc1)[NH+]1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000566479982 505186881 /nfs/dbraw/zinc/18/68/81/505186881.db2.gz VQLSIURXAGZTDW-QGZVFWFLSA-N 1 1 358.449 3.022 20 30 FGEDMO CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000566544501 505201007 /nfs/dbraw/zinc/20/10/07/505201007.db2.gz RXZWYKWORVSKED-INIZCTEOSA-N 1 1 364.497 3.147 20 30 FGEDMO Cc1cc(Cl)ccc1C[NH+]1CCN(c2nc3ccccn3c2C#N)CC1 ZINC000557699367 505207170 /nfs/dbraw/zinc/20/71/70/505207170.db2.gz PDDZWIVEUMYKDN-UHFFFAOYSA-N 1 1 365.868 3.490 20 30 FGEDMO CCNC(=O)C[C@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000551416545 505221471 /nfs/dbraw/zinc/22/14/71/505221471.db2.gz ORLLHIGKYFSNNC-MRXNPFEDSA-N 1 1 368.399 3.317 20 30 FGEDMO C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000563739707 505225479 /nfs/dbraw/zinc/22/54/79/505225479.db2.gz QPDWNWKSRLZSCU-UHFFFAOYSA-N 1 1 361.367 3.325 20 30 FGEDMO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000563739707 505225483 /nfs/dbraw/zinc/22/54/83/505225483.db2.gz QPDWNWKSRLZSCU-UHFFFAOYSA-N 1 1 361.367 3.325 20 30 FGEDMO N#Cc1ccncc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000557905350 505259992 /nfs/dbraw/zinc/25/99/92/505259992.db2.gz FIEHJBDIIJJXQX-CTNGQTDRSA-N 1 1 360.461 3.080 20 30 FGEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000566855777 505292482 /nfs/dbraw/zinc/29/24/82/505292482.db2.gz ACOQBXXNHZLSSM-IBGZPJMESA-N 1 1 351.429 3.439 20 30 FGEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000558061258 505299154 /nfs/dbraw/zinc/29/91/54/505299154.db2.gz FPQHBJNKONRZEN-PGRDOPGGSA-N 1 1 366.461 3.316 20 30 FGEDMO C=CCn1c(-c2ccoc2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000554925553 505300894 /nfs/dbraw/zinc/30/08/94/505300894.db2.gz AVHZXOBPDVPNBV-QGZVFWFLSA-N 1 1 363.465 3.435 20 30 FGEDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000554996604 505323737 /nfs/dbraw/zinc/32/37/37/505323737.db2.gz DQMCZRKXNHCGMC-OAHLLOKOSA-N 1 1 365.437 3.209 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2COc2cccnc2C)c1C#N ZINC000566963921 505325444 /nfs/dbraw/zinc/32/54/44/505325444.db2.gz XXJAEIBEOQBSQJ-KRWDZBQOSA-N 1 1 365.433 3.092 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2COc2cccnc2C)c1C#N ZINC000566963921 505325448 /nfs/dbraw/zinc/32/54/48/505325448.db2.gz XXJAEIBEOQBSQJ-KRWDZBQOSA-N 1 1 365.433 3.092 20 30 FGEDMO O=C(NCC#Cc1ccccc1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000561449466 505349325 /nfs/dbraw/zinc/34/93/25/505349325.db2.gz SNPPKTRGUVLLRJ-XMMPIXPASA-N 1 1 373.500 3.346 20 30 FGEDMO C[C@H](NC(=O)NCc1ccc(C#N)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561465182 505352996 /nfs/dbraw/zinc/35/29/96/505352996.db2.gz OAYJTPGGHBUYPF-DOTOQJQBSA-N 1 1 368.506 3.330 20 30 FGEDMO C[C@@H](NC(=O)NCc1ccc(C#N)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561465190 505353117 /nfs/dbraw/zinc/35/31/17/505353117.db2.gz OAYJTPGGHBUYPF-WBVHZDCISA-N 1 1 368.506 3.330 20 30 FGEDMO CC[C@H](C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N)[N@@H+](C)Cc1ccccc1 ZINC000552009985 505369036 /nfs/dbraw/zinc/36/90/36/505369036.db2.gz WSIMHOGNNGOFSB-KCZVDYSFSA-N 1 1 369.509 3.351 20 30 FGEDMO CC[NH+]1CCN(c2ccc(-c3noc(CC(C)(C)C#N)n3)cc2F)CC1 ZINC000567277030 505416668 /nfs/dbraw/zinc/41/66/68/505416668.db2.gz GRNFTXZLKVNYOA-UHFFFAOYSA-N 1 1 357.433 3.110 20 30 FGEDMO CCC[N@@H+](C)[C@H](CNC(=O)c1ccnc(C#N)c1)c1ccc(Cl)cc1 ZINC000552244830 505439017 /nfs/dbraw/zinc/43/90/17/505439017.db2.gz HEHVLBWBIKUVQK-GOSISDBHSA-N 1 1 356.857 3.420 20 30 FGEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000552246912 505439412 /nfs/dbraw/zinc/43/94/12/505439412.db2.gz SLBJXUJPLNPPIG-UHFFFAOYSA-N 1 1 372.538 3.037 20 30 FGEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000552246912 505439418 /nfs/dbraw/zinc/43/94/18/505439418.db2.gz SLBJXUJPLNPPIG-UHFFFAOYSA-N 1 1 372.538 3.037 20 30 FGEDMO C=CCn1c(-c2ccoc2)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000558671136 505458350 /nfs/dbraw/zinc/45/83/50/505458350.db2.gz KPABFDXPPBWWPQ-UHFFFAOYSA-N 1 1 355.467 3.108 20 30 FGEDMO COc1cc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)ccc1C#N ZINC000555586651 505464698 /nfs/dbraw/zinc/46/46/98/505464698.db2.gz ZWFAUHNXOIABRE-UHFFFAOYSA-N 1 1 371.868 3.347 20 30 FGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000558788574 505492467 /nfs/dbraw/zinc/49/24/67/505492467.db2.gz VRGQDMUTWOPYJZ-BDTNDASRSA-N 1 1 353.510 3.293 20 30 FGEDMO C[C@@H]1[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000552538149 505509946 /nfs/dbraw/zinc/50/99/46/505509946.db2.gz MBDLVMSUWCLKDI-IIBYNOLFSA-N 1 1 362.477 3.017 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)N2CCC(CCC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000567776727 505562258 /nfs/dbraw/zinc/56/22/58/505562258.db2.gz LWOURISHYZRJKL-PXNSSMCTSA-N 1 1 354.498 3.375 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000564962062 505563676 /nfs/dbraw/zinc/56/36/76/505563676.db2.gz AUHOXFOHUNXUBF-IEBWSBKVSA-N 1 1 359.539 3.392 20 30 FGEDMO CCc1oc2ccccc2c1C[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599251336 506385729 /nfs/dbraw/zinc/38/57/29/506385729.db2.gz UUZBPUILCOWSRL-MRXNPFEDSA-N 1 1 356.466 3.498 20 30 FGEDMO C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599251590 506386861 /nfs/dbraw/zinc/38/68/61/506386861.db2.gz ICTKWJPPWDTMAI-CQSZACIVSA-N 1 1 357.281 3.497 20 30 FGEDMO CCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCc2ccccc2C1 ZINC000599271012 506391291 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C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@H](Cc2ccccc2)C1 ZINC000593155346 506429190 /nfs/dbraw/zinc/42/91/90/506429190.db2.gz POZBFAVTCXGNNC-GOSISDBHSA-N 1 1 352.413 3.088 20 30 FGEDMO C[N@H+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@H](Cc2ccccc2)C1 ZINC000593155346 506429194 /nfs/dbraw/zinc/42/91/94/506429194.db2.gz POZBFAVTCXGNNC-GOSISDBHSA-N 1 1 352.413 3.088 20 30 FGEDMO CC1(C#N)CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000599366171 506429423 /nfs/dbraw/zinc/42/94/23/506429423.db2.gz LGFUHTGCQFFASL-OAHLLOKOSA-N 1 1 362.271 3.328 20 30 FGEDMO CC[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000612099786 506434608 /nfs/dbraw/zinc/43/46/08/506434608.db2.gz JFQNRYHSILEKKY-TZIWHRDSSA-N 1 1 354.498 3.159 20 30 FGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000603147142 506437246 /nfs/dbraw/zinc/43/72/46/506437246.db2.gz WGHDBDHHHMNNCI-UHFFFAOYSA-N 1 1 351.454 3.457 20 30 FGEDMO N#CC1(C[C@H](O)C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CCOCC1 ZINC000599403617 506443007 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ZINC000596597217 506481362 /nfs/dbraw/zinc/48/13/62/506481362.db2.gz LWMUKAITVJLZFB-UHFFFAOYSA-N 1 1 360.465 3.266 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C1 ZINC000596611050 506489201 /nfs/dbraw/zinc/48/92/01/506489201.db2.gz CPUUDBPCWHQZHL-SLFFLAALSA-N 1 1 354.498 3.027 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC2(C#N)CCCC2)C1 ZINC000596644053 506506856 /nfs/dbraw/zinc/50/68/56/506506856.db2.gz TYXNLHQYQPLSCX-IBGZPJMESA-N 1 1 354.498 3.029 20 30 FGEDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1 ZINC000596661621 506518034 /nfs/dbraw/zinc/51/80/34/506518034.db2.gz NZWVAOBZXQBPSA-UHFFFAOYSA-N 1 1 369.509 3.165 20 30 FGEDMO C=CCN(Cc1ccccc1)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000612325977 506528077 /nfs/dbraw/zinc/52/80/77/506528077.db2.gz ZAPUAIUGKIOWKD-FQEVSTJZSA-N 1 1 359.514 3.131 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000593306965 506528615 /nfs/dbraw/zinc/52/86/15/506528615.db2.gz KRQRCUDIPLGYCJ-CALCHBBNSA-N 1 1 354.498 3.342 20 30 FGEDMO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC000593323938 506541507 /nfs/dbraw/zinc/54/15/07/506541507.db2.gz UBPLWUWYHZEBOY-SFHVURJKSA-N 1 1 353.853 3.211 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC000593323938 506541513 /nfs/dbraw/zinc/54/15/13/506541513.db2.gz UBPLWUWYHZEBOY-SFHVURJKSA-N 1 1 353.853 3.211 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cccc(C#N)n1 ZINC000589430916 506546838 /nfs/dbraw/zinc/54/68/38/506546838.db2.gz RKCJQUVETFWFPZ-UHFFFAOYSA-N 1 1 360.417 3.108 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cccc(C#N)n1 ZINC000589430916 506546841 /nfs/dbraw/zinc/54/68/41/506546841.db2.gz RKCJQUVETFWFPZ-UHFFFAOYSA-N 1 1 360.417 3.108 20 30 FGEDMO CCC[N@@H+](C)[C@H](CNC(=O)c1cccc(C#N)n1)c1ccc(Cl)cc1 ZINC000589463080 506556864 /nfs/dbraw/zinc/55/68/64/506556864.db2.gz FESSXQIPLZRESG-GOSISDBHSA-N 1 1 356.857 3.420 20 30 FGEDMO 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VSZHIACBPGASLZ-GOSISDBHSA-N 1 1 362.477 3.093 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3(C#N)CC4(CC4)C3)c2)C[C@H](C)O1 ZINC000601204083 507294533 /nfs/dbraw/zinc/29/45/33/507294533.db2.gz UBIWUUCCYMHKHM-IYBDPMFKSA-N 1 1 353.466 3.318 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3(C#N)CC4(CC4)C3)c2)C[C@H](C)O1 ZINC000601204083 507294541 /nfs/dbraw/zinc/29/45/41/507294541.db2.gz UBIWUUCCYMHKHM-IYBDPMFKSA-N 1 1 353.466 3.318 20 30 FGEDMO N#CCN1CCC([NH2+][C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000610777985 507386979 /nfs/dbraw/zinc/38/69/79/507386979.db2.gz HNFBVAOATVLQOZ-HXUWFJFHSA-N 1 1 373.460 3.404 20 30 FGEDMO CC(C)(C#N)c1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000614160347 507389272 /nfs/dbraw/zinc/38/92/72/507389272.db2.gz UNOMTBCLEKIRTE-UHFFFAOYSA-N 1 1 373.504 3.453 20 30 FGEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000614166947 507393281 /nfs/dbraw/zinc/39/32/81/507393281.db2.gz PDCXZQUXIXNTKL-LJQANCHMSA-N 1 1 351.450 3.362 20 30 FGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000614166947 507393288 /nfs/dbraw/zinc/39/32/88/507393288.db2.gz PDCXZQUXIXNTKL-LJQANCHMSA-N 1 1 351.450 3.362 20 30 FGEDMO CN1CCC([N@H+]2CC[C@H](Nc3c(C#N)cnc4c(Cl)cccc43)C2)CC1 ZINC000591911866 507406442 /nfs/dbraw/zinc/40/64/42/507406442.db2.gz MHRPEOQSGHVKAZ-HNNXBMFYSA-N 1 1 369.900 3.340 20 30 FGEDMO C[NH+]1CCC(N2CC[C@H](Nc3c(C#N)cnc4c(Cl)cccc43)C2)CC1 ZINC000591911866 507406444 /nfs/dbraw/zinc/40/64/44/507406444.db2.gz MHRPEOQSGHVKAZ-HNNXBMFYSA-N 1 1 369.900 3.340 20 30 FGEDMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ncc1C#N ZINC000598396512 507406889 /nfs/dbraw/zinc/40/68/89/507406889.db2.gz LZLYVQGKIDJRQF-FQEVSTJZSA-N 1 1 374.488 3.294 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000610859141 507417145 /nfs/dbraw/zinc/41/71/45/507417145.db2.gz VRKQMFOGROVMKK-UHFFFAOYSA-N 1 1 354.498 3.211 20 30 FGEDMO N#Cc1ccc(CC[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000595299459 507453226 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COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000611500815 507710113 /nfs/dbraw/zinc/71/01/13/507710113.db2.gz PLKVMDZJGCACKL-AWEZNQCLSA-N 1 1 351.244 3.238 20 30 FGEDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000611500815 507710117 /nfs/dbraw/zinc/71/01/17/507710117.db2.gz PLKVMDZJGCACKL-AWEZNQCLSA-N 1 1 351.244 3.238 20 30 FGEDMO N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000595873347 507720324 /nfs/dbraw/zinc/72/03/24/507720324.db2.gz LZWVQRVWONGENM-FPOVZHCZSA-N 1 1 360.461 3.119 20 30 FGEDMO C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H]1CCc2ccccc21 ZINC000595875883 507721666 /nfs/dbraw/zinc/72/16/66/507721666.db2.gz CLACNAOZDDNNGJ-PMACEKPBSA-N 1 1 350.462 3.154 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907631 507737341 /nfs/dbraw/zinc/73/73/41/507737341.db2.gz BZQOFWNXGXTGRU-QIJUGHKUSA-N 1 1 367.493 3.214 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@]45COC[C@@]4(C3)CCCC5)o2)cc1 ZINC000595911274 507738834 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JNEWFJVMJNROOL-HBGVWJBISA-N 1 1 363.461 3.327 20 30 FGEDMO C[C@@H]1C[C@H]([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000828183609 601229159 /nfs/dbraw/zinc/22/91/59/601229159.db2.gz JNEWFJVMJNROOL-HBGVWJBISA-N 1 1 363.461 3.327 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000822801385 606452389 /nfs/dbraw/zinc/45/23/89/606452389.db2.gz IICKGLIRQGOVFI-VQTJNVASSA-N 1 1 374.448 3.017 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000822801385 606452390 /nfs/dbraw/zinc/45/23/90/606452390.db2.gz IICKGLIRQGOVFI-VQTJNVASSA-N 1 1 374.448 3.017 20 30 FGEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000826176900 608357891 /nfs/dbraw/zinc/35/78/91/608357891.db2.gz JCLZATAVTJUAMC-UHFFFAOYSA-N 1 1 362.437 3.158 20 30 FGEDMO C=CCCC[C@H](C)[N@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823894555 608384162 /nfs/dbraw/zinc/38/41/62/608384162.db2.gz SWZVIOJYRUTAAC-KRWDZBQOSA-N 1 1 354.502 3.119 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@H](C)CN(CC)CC ZINC000045692484 695824799 /nfs/dbraw/zinc/82/47/99/695824799.db2.gz IHSZMWQYJYQNBQ-CQSZACIVSA-N 1 1 353.304 3.281 20 30 FGEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000093771110 700454273 /nfs/dbraw/zinc/45/42/73/700454273.db2.gz JKXJZSGDZHMMNL-MRXNPFEDSA-N 1 1 354.416 3.405 20 30 FGEDMO Cc1nc(CN2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cs1 ZINC000123939615 700712425 /nfs/dbraw/zinc/71/24/25/700712425.db2.gz CABZRLQUUCDMNA-HNNXBMFYSA-N 1 1 356.495 3.060 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000191809912 712844128 /nfs/dbraw/zinc/84/41/28/712844128.db2.gz ZDFIMIZYLWAYDA-INIZCTEOSA-N 1 1 358.239 3.369 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000191809912 712844131 /nfs/dbraw/zinc/84/41/31/712844131.db2.gz ZDFIMIZYLWAYDA-INIZCTEOSA-N 1 1 358.239 3.369 20 30 FGEDMO CC(C)CCNC(=[NH2+])NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305707469 713793256 /nfs/dbraw/zinc/79/32/56/713793256.db2.gz WNAMLIBEFFJXQI-RHSMWYFYSA-N 1 1 354.901 3.422 20 30 FGEDMO C#CC[N@H+](C)CCCN[C@H]1CCCOc2cc(Br)ccc21 ZINC000327990770 713824292 /nfs/dbraw/zinc/82/42/92/713824292.db2.gz LFTFATHRZJKBII-INIZCTEOSA-N 1 1 351.288 3.208 20 30 FGEDMO C#CC[N@@H+](C)CCCN[C@H]1CCCOc2cc(Br)ccc21 ZINC000327990770 713824296 /nfs/dbraw/zinc/82/42/96/713824296.db2.gz LFTFATHRZJKBII-INIZCTEOSA-N 1 1 351.288 3.208 20 30 FGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000521743087 714145616 /nfs/dbraw/zinc/14/56/16/714145616.db2.gz AJWVCLNIWPAKMA-AWEZNQCLSA-N 1 1 351.288 3.448 20 30 FGEDMO CCc1ccc(C[NH+]2CCN(CCOc3ccc(C#N)cc3)CC2)s1 ZINC000523439924 714234967 /nfs/dbraw/zinc/23/49/67/714234967.db2.gz SUMHGOHHRZRLHP-UHFFFAOYSA-N 1 1 355.507 3.379 20 30 FGEDMO N#Cc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)ccn1 ZINC000526966834 714415869 /nfs/dbraw/zinc/41/58/69/714415869.db2.gz VJPKCIBXNOGKLH-SFHVURJKSA-N 1 1 354.841 3.174 20 30 FGEDMO C[N@@H+](CCNC(=O)NCc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000619756649 714867306 /nfs/dbraw/zinc/86/73/06/714867306.db2.gz KRVWQYCBLNYPBV-UHFFFAOYSA-N 1 1 356.857 3.143 20 30 FGEDMO C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000802556818 724390174 /nfs/dbraw/zinc/39/01/74/724390174.db2.gz GSWVXVNJJQYEGY-CQSZACIVSA-N 1 1 360.893 3.100 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)cc1OC ZINC000628158737 716117937 /nfs/dbraw/zinc/11/79/37/716117937.db2.gz XSPNBGXHFXHBKK-AWEZNQCLSA-N 1 1 366.889 3.391 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+](CCO)Cc2cccnc2)cc1OC ZINC000628163833 716119148 /nfs/dbraw/zinc/11/91/48/716119148.db2.gz UQGJSUXQLUMADA-UHFFFAOYSA-N 1 1 362.857 3.303 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](CCO)Cc2cccnc2)cc1OC ZINC000628163833 716119152 /nfs/dbraw/zinc/11/91/52/716119152.db2.gz UQGJSUXQLUMADA-UHFFFAOYSA-N 1 1 362.857 3.303 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](OCCOC)C2)cc1OC ZINC000628244151 716129528 /nfs/dbraw/zinc/12/95/28/716129528.db2.gz UVWRETYPTNQSLN-HNNXBMFYSA-N 1 1 355.862 3.151 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](OCCOC)C2)cc1OC ZINC000628244151 716129529 /nfs/dbraw/zinc/12/95/29/716129529.db2.gz UVWRETYPTNQSLN-HNNXBMFYSA-N 1 1 355.862 3.151 20 30 FGEDMO C[C@@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCCC[C@H]1C ZINC000790298856 723124645 /nfs/dbraw/zinc/12/46/45/723124645.db2.gz FKKNRNCDTFZNIJ-CABCVRRESA-N 1 1 352.400 3.436 20 30 FGEDMO N#Cc1cc(Cl)cc(Br)c1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804396171 724511822 /nfs/dbraw/zinc/51/18/22/724511822.db2.gz CWPLAAUUHMXSLJ-OLZOCXBDSA-N 1 1 370.678 3.249 20 30 FGEDMO CCCC[C@@H](ON=C(C)C)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000780979675 724518562 /nfs/dbraw/zinc/51/85/62/724518562.db2.gz VHUOYQDLSOGKSW-CQSZACIVSA-N 1 1 352.504 3.431 20 30 FGEDMO CCCC[C@@H](ON=C(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000780979675 724518566 /nfs/dbraw/zinc/51/85/66/724518566.db2.gz VHUOYQDLSOGKSW-CQSZACIVSA-N 1 1 352.504 3.431 20 30 FGEDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1nc(Cl)c(C#N)s1 ZINC000804500609 724522576 /nfs/dbraw/zinc/52/25/76/724522576.db2.gz OBUUMZSOLWZAJK-ZDUSSCGKSA-N 1 1 361.902 3.291 20 30 FGEDMO Cn1nc(Br)cc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000785483048 724915726 /nfs/dbraw/zinc/91/57/26/724915726.db2.gz RCPLJVZWPOTWND-UHFFFAOYSA-N 1 1 372.188 3.343 20 30 FGEDMO CSc1nc(-c2ccccc2)nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1C#N ZINC001164637201 719215170 /nfs/dbraw/zinc/21/51/70/719215170.db2.gz LQQWFJBVHMNBNR-UONOGXRCSA-N 1 1 353.495 3.266 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660657629 720092258 /nfs/dbraw/zinc/09/22/58/720092258.db2.gz YWKIDIWWRMGNDT-FQEVSTJZSA-N 1 1 359.539 3.321 20 30 FGEDMO C=CC[C@H]1CCC[N@H+](CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000661380041 720238143 /nfs/dbraw/zinc/23/81/43/720238143.db2.gz KUDNKZLPCSWLKP-KRWDZBQOSA-N 1 1 364.511 3.097 20 30 FGEDMO C=C[C@H](CO)[NH2+]CC(=O)Nc1nc(-c2ccc([C@@H](C)CC)cc2)cs1 ZINC000662165599 720386313 /nfs/dbraw/zinc/38/63/13/720386313.db2.gz KDLUVVZULHMKHJ-XJKSGUPXSA-N 1 1 359.495 3.399 20 30 FGEDMO N#Cc1cnc(Cl)cc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900531 721514057 /nfs/dbraw/zinc/51/40/57/721514057.db2.gz RWOZQSIGTMQWOA-DOTOQJQBSA-N 1 1 372.831 3.088 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C#N)cn1)C2 ZINC001164913748 721743132 /nfs/dbraw/zinc/74/31/32/721743132.db2.gz XGUBXIUPYSILFV-UHFFFAOYSA-N 1 1 359.433 3.136 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc(C#N)cn1)C2 ZINC001164913748 721743138 /nfs/dbraw/zinc/74/31/38/721743138.db2.gz XGUBXIUPYSILFV-UHFFFAOYSA-N 1 1 359.433 3.136 20 30 FGEDMO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCc1ccc(C#N)cc1Cl ZINC000784230343 724834589 /nfs/dbraw/zinc/83/45/89/724834589.db2.gz MPIHGPDQKNGRLA-QGZVFWFLSA-N 1 1 350.846 3.048 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000729811831 722462837 /nfs/dbraw/zinc/46/28/37/722462837.db2.gz CZMDNTPOEQBWTM-STQMWFEESA-N 1 1 356.249 3.402 20 30 FGEDMO C=CCn1c(C2CC2)nn(CN2CCC(C[N@H+](C)C(C)C)CC2)c1=S ZINC000738088081 722528521 /nfs/dbraw/zinc/52/85/21/722528521.db2.gz AJQIMQNTRGFDGI-UHFFFAOYSA-N 1 1 363.575 3.487 20 30 FGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000739932194 722534400 /nfs/dbraw/zinc/53/44/00/722534400.db2.gz YEGBVPRRQIGVPP-UHFFFAOYSA-N 1 1 363.527 3.343 20 30 FGEDMO C#CCSCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000740032445 722534853 /nfs/dbraw/zinc/53/48/53/722534853.db2.gz WXCUCTDVJHEVBQ-KRWDZBQOSA-N 1 1 359.539 3.084 20 30 FGEDMO C=C(Br)C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755133990 722950585 /nfs/dbraw/zinc/95/05/85/722950585.db2.gz RNQURADYZVKSJT-GXTWGEPZSA-N 1 1 361.642 3.249 20 30 FGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790492609 723146210 /nfs/dbraw/zinc/14/62/10/723146210.db2.gz ZHPPZUBJENIJIV-HUUCEWRRSA-N 1 1 352.400 3.294 20 30 FGEDMO Oc1ccc(Br)cc1/C=N\[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000763098442 723312199 /nfs/dbraw/zinc/31/21/99/723312199.db2.gz WZOMLJGGJHOKPP-CFMHKOELSA-N 1 1 367.287 3.217 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1ncnc2ccsc21 ZINC000764834770 723451183 /nfs/dbraw/zinc/45/11/83/723451183.db2.gz GWAOWSKSWMYYOV-ZDUSSCGKSA-N 1 1 352.467 3.396 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000794708128 723542143 /nfs/dbraw/zinc/54/21/43/723542143.db2.gz XSTFOJIPFUYTQA-HNAYVOBHSA-N 1 1 359.495 3.152 20 30 FGEDMO N#Cc1ccccc1NC(=S)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794991188 723555514 /nfs/dbraw/zinc/55/55/14/723555514.db2.gz KGJNFMUMCGPWAC-KRWDZBQOSA-N 1 1 350.491 3.367 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000775138787 723963131 /nfs/dbraw/zinc/96/31/31/723963131.db2.gz RHWDLBSQOXSLLQ-BLLLJJGKSA-N 1 1 361.791 3.487 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000775138787 723963133 /nfs/dbraw/zinc/96/31/33/723963133.db2.gz RHWDLBSQOXSLLQ-BLLLJJGKSA-N 1 1 361.791 3.487 20 30 FGEDMO C=C(Br)C[NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775355457 723985184 /nfs/dbraw/zinc/98/51/84/723985184.db2.gz MKYZPQJRDMIXCD-GFCCVEGCSA-N 1 1 357.267 3.346 20 30 FGEDMO C#CCNC(=O)[C@@H](C)[NH+]1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC000799176081 723994878 /nfs/dbraw/zinc/99/48/78/723994878.db2.gz CPOXMUNQSYYQNO-CYBMUJFWSA-N 1 1 356.363 3.104 20 30 FGEDMO Clc1ccc(-c2nc(C=NNCCC[NH+]3CCOCC3)cs2)cc1 ZINC000799489502 724034260 /nfs/dbraw/zinc/03/42/60/724034260.db2.gz VYGLBRCLKJUWTR-UHFFFAOYSA-N 1 1 364.902 3.109 20 30 FGEDMO C#C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000775793535 724062209 /nfs/dbraw/zinc/06/22/09/724062209.db2.gz MBZVGLDFLOVVLQ-JSGCOSHPSA-N 1 1 360.763 3.068 20 30 FGEDMO C#CCNC(=S)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000776728412 724174794 /nfs/dbraw/zinc/17/47/94/724174794.db2.gz CYBSQXIYERHMCF-HZPDHXFCSA-N 1 1 353.894 3.100 20 30 FGEDMO C#CCNC(=S)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000776728412 724174798 /nfs/dbraw/zinc/17/47/98/724174798.db2.gz CYBSQXIYERHMCF-HZPDHXFCSA-N 1 1 353.894 3.100 20 30 FGEDMO CC1([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)OCCO1 ZINC000784577256 724864749 /nfs/dbraw/zinc/86/47/49/724864749.db2.gz HCHCKPJRKIJGNK-HNNXBMFYSA-N 1 1 350.846 3.217 20 30 FGEDMO CC(=[NH+]NCCc1ccccn1)c1ccc(N2CCOCC2)cc1Cl ZINC000789103380 725109052 /nfs/dbraw/zinc/10/90/52/725109052.db2.gz USKXPVHAGITZTP-UHFFFAOYSA-N 1 1 358.873 3.128 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000789367826 725124366 /nfs/dbraw/zinc/12/43/66/725124366.db2.gz RMNQLLMNCULAAN-LBPRGKRZSA-N 1 1 363.870 3.056 20 30 FGEDMO C=CCn1c2ncn(Cc3cn4cccc(C)c4[nH+]3)c(=O)c2sc1=S ZINC000808949348 725221562 /nfs/dbraw/zinc/22/15/62/725221562.db2.gz YHLSMVVABUDJKO-UHFFFAOYSA-N 1 1 369.475 3.179 20 30 FGEDMO COc1cc(C[NH2+]Cc2cc3c(C)nn(C)c3nc2Cl)ccc1C#N ZINC000810169060 725294310 /nfs/dbraw/zinc/29/43/10/725294310.db2.gz JNFJAKALFHUYGW-UHFFFAOYSA-N 1 1 355.829 3.100 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)O[C@H](C#N)Cc2ccc(F)cc2F)C1 ZINC000810668284 725321627 /nfs/dbraw/zinc/32/16/27/725321627.db2.gz XAYBQUPECBGRDB-KBXCAEBGSA-N 1 1 354.372 3.155 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1F ZINC000812018701 725387549 /nfs/dbraw/zinc/38/75/49/725387549.db2.gz GRGLKAOMFYWKLC-SJCJKPOMSA-N 1 1 362.836 3.294 20 30 FGEDMO C#CCN(C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000812189966 725390314 /nfs/dbraw/zinc/39/03/14/725390314.db2.gz NNDPWABTCDQWND-IAGOWNOFSA-N 1 1 351.853 3.278 20 30 FGEDMO C#CCN(C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000812189966 725390315 /nfs/dbraw/zinc/39/03/15/725390315.db2.gz NNDPWABTCDQWND-IAGOWNOFSA-N 1 1 351.853 3.278 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852507 726818940 /nfs/dbraw/zinc/81/89/40/726818940.db2.gz ZFMZDXHIHLCKCH-KBXCAEBGSA-N 1 1 357.479 3.392 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccnc1SCC1CCCCC1 ZINC000818609068 727316865 /nfs/dbraw/zinc/31/68/65/727316865.db2.gz JGDRYLLBVLBMNY-UHFFFAOYSA-N 1 1 359.539 3.439 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000818612236 727316872 /nfs/dbraw/zinc/31/68/72/727316872.db2.gz PFESUVXGKUNIRH-UHFFFAOYSA-N 1 1 354.416 3.345 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1=S ZINC000819897651 728951004 /nfs/dbraw/zinc/95/10/04/728951004.db2.gz RQIGLIRQQZVXPT-HNNXBMFYSA-N 1 1 354.483 3.244 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@H+]2CCC[C@H](n3ccnn3)C2)c1=S ZINC000819897651 728951006 /nfs/dbraw/zinc/95/10/06/728951006.db2.gz RQIGLIRQQZVXPT-HNNXBMFYSA-N 1 1 354.483 3.244 20 30 FGEDMO C#C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1F ZINC000820750159 729025741 /nfs/dbraw/zinc/02/57/41/729025741.db2.gz LHEDFJSPXASICE-HKUYNNGSSA-N 1 1 363.864 3.281 20 30 FGEDMO COc1ccc(Br)cc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822938439 729234097 /nfs/dbraw/zinc/23/40/97/729234097.db2.gz XMQPVRZELLPCAS-NSHDSACASA-N 1 1 351.204 3.201 20 30 FGEDMO C#C[C@@H](C)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)OC ZINC000824364086 729333226 /nfs/dbraw/zinc/33/32/26/729333226.db2.gz QLSNKYXNNARZLO-SNVBAGLBSA-N 1 1 352.221 3.077 20 30 FGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)cc1 ZINC000825117514 729371486 /nfs/dbraw/zinc/37/14/86/729371486.db2.gz GCFIEDQRRHLTIB-CABCVRRESA-N 1 1 355.404 3.293 20 30 FGEDMO C[NH+]1CCN(c2ccc(NC(=O)C#Cc3cccs3)cc2Cl)CC1 ZINC000825549155 729387434 /nfs/dbraw/zinc/38/74/34/729387434.db2.gz LCADGXUWXHVBBS-UHFFFAOYSA-N 1 1 359.882 3.144 20 30 FGEDMO C#CCC[N@H+](CCOC)CC1=Cc2cc(Br)ccc2OC1 ZINC000827822658 729435529 /nfs/dbraw/zinc/43/55/29/729435529.db2.gz BALOUNZDVKCNQL-UHFFFAOYSA-N 1 1 350.256 3.197 20 30 FGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000829773193 729510429 /nfs/dbraw/zinc/51/04/29/729510429.db2.gz BLEMEKCOLIYAHD-LBPRGKRZSA-N 1 1 354.353 3.440 20 30 FGEDMO C[NH+]1CCN(c2nc3ccc(NC(=O)CCCCC#N)cc3s2)CC1 ZINC000830252511 729546407 /nfs/dbraw/zinc/54/64/07/729546407.db2.gz CSUBRBIAWXVOOG-UHFFFAOYSA-N 1 1 357.483 3.071 20 30 FGEDMO C[NH+](C)C[C@](C)(CN=Nc1ccccc1S(C)(=O)=O)c1ccccc1 ZINC000834957879 729847919 /nfs/dbraw/zinc/84/79/19/729847919.db2.gz VVXGTJCXFHCWFJ-IBGZPJMESA-N 1 1 359.495 3.007 20 30 FGEDMO C[C@@H]1CN(C(=S)Nc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000840861089 730184627 /nfs/dbraw/zinc/18/46/27/730184627.db2.gz CKQDPAXHCIDQRY-MRXNPFEDSA-N 1 1 350.491 3.461 20 30 FGEDMO C[C@@H]1CN(C(=S)Nc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000840861089 730184630 /nfs/dbraw/zinc/18/46/30/730184630.db2.gz CKQDPAXHCIDQRY-MRXNPFEDSA-N 1 1 350.491 3.461 20 30 FGEDMO CCCC[N@@H+](Cn1ccc(C)c(C#N)c1=O)[C@@H]1CCc2ncsc2C1 ZINC000842646200 730524207 /nfs/dbraw/zinc/52/42/07/730524207.db2.gz PPKXYSJHMSPRSC-OAHLLOKOSA-N 1 1 356.495 3.102 20 30 FGEDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1O ZINC000844367602 730708483 /nfs/dbraw/zinc/70/84/83/730708483.db2.gz AGYITFMKWANFQH-SFHVURJKSA-N 1 1 358.825 3.285 20 30 FGEDMO C[C@@]1(NC(=O)c2ccc(C#N)c(Cl)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000844966447 730796661 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ZINC000880570520 737188069 /nfs/dbraw/zinc/18/80/69/737188069.db2.gz DMGACJJCVPRBNZ-UHFFFAOYSA-N 1 1 360.841 3.245 20 30 FGEDMO COc1ccc(C[N@@H+](CCO)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000880570520 737188075 /nfs/dbraw/zinc/18/80/75/737188075.db2.gz DMGACJJCVPRBNZ-UHFFFAOYSA-N 1 1 360.841 3.245 20 30 FGEDMO N#Cc1ccsc1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000882392030 737450406 /nfs/dbraw/zinc/45/04/06/737450406.db2.gz ICMGEGDKRZRPGT-QGZVFWFLSA-N 1 1 352.463 3.156 20 30 FGEDMO CSc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1C#N ZINC000884215819 737643745 /nfs/dbraw/zinc/64/37/45/737643745.db2.gz BLLUTUHSLCZLLD-INIZCTEOSA-N 1 1 360.527 3.057 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CCC1 ZINC000886100714 739218326 /nfs/dbraw/zinc/21/83/26/739218326.db2.gz VVKSBHYHEWTDBS-CQSZACIVSA-N 1 1 357.281 3.233 20 30 FGEDMO C[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000886279478 739238902 /nfs/dbraw/zinc/23/89/02/739238902.db2.gz ZRENQLXBWADIAU-IUODEOHRSA-N 1 1 357.281 3.403 20 30 FGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000886279478 739238907 /nfs/dbraw/zinc/23/89/07/739238907.db2.gz ZRENQLXBWADIAU-IUODEOHRSA-N 1 1 357.281 3.403 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886565903 739269182 /nfs/dbraw/zinc/26/91/82/739269182.db2.gz CDPRFHFVNIPFKB-KFWWJZLASA-N 1 1 361.536 3.172 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886565903 739269192 /nfs/dbraw/zinc/26/91/92/739269192.db2.gz CDPRFHFVNIPFKB-KFWWJZLASA-N 1 1 361.536 3.172 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000886813150 739305081 /nfs/dbraw/zinc/30/50/81/739305081.db2.gz DOIVIUGUVJDALE-ZDUSSCGKSA-N 1 1 352.278 3.324 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000886813150 739305086 /nfs/dbraw/zinc/30/50/86/739305086.db2.gz DOIVIUGUVJDALE-ZDUSSCGKSA-N 1 1 352.278 3.324 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H]([C@H]2CCCO2)C1)c1cccc(Cl)c1 ZINC000886834605 739308787 /nfs/dbraw/zinc/30/87/87/739308787.db2.gz AXJYTENFZFUJGL-MAUKXSAKSA-N 1 1 361.873 3.088 20 30 FGEDMO N#Cc1sc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1Cl ZINC000888407287 739517787 /nfs/dbraw/zinc/51/77/87/739517787.db2.gz ZPJMPJKVZAERBG-LBPRGKRZSA-N 1 1 361.858 3.064 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000889234102 739644906 /nfs/dbraw/zinc/64/49/06/739644906.db2.gz AZGKFJLQHSTKJV-WBVHZDCISA-N 1 1 355.829 3.174 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000889234102 739644908 /nfs/dbraw/zinc/64/49/08/739644908.db2.gz AZGKFJLQHSTKJV-WBVHZDCISA-N 1 1 355.829 3.174 20 30 FGEDMO CN(Cc1cc(C#N)cs1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000891626321 739922359 /nfs/dbraw/zinc/92/23/59/739922359.db2.gz JLJVPQMKMYRDTQ-UHFFFAOYSA-N 1 1 356.495 3.283 20 30 FGEDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000896985898 742627275 /nfs/dbraw/zinc/62/72/75/742627275.db2.gz 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O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192087792 496991210 /nfs/dbraw/zinc/99/12/10/496991210.db2.gz UXWVEQKNAJTZPY-QGZVFWFLSA-N 1 1 353.853 3.437 20 30 FGEDMO C#CCN(C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000274049209 497002833 /nfs/dbraw/zinc/00/28/33/497002833.db2.gz BWYQNMSDAQFFGQ-KDOFPFPSSA-N 1 1 363.864 3.279 20 30 FGEDMO CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000248469441 497022851 /nfs/dbraw/zinc/02/28/51/497022851.db2.gz UQHQWNSSKWJCJZ-QAPCUYQASA-N 1 1 369.421 3.289 20 30 FGEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(F)cc3Cl)C2=O)cc1 ZINC000192244588 497047293 /nfs/dbraw/zinc/04/72/93/497047293.db2.gz JRUHNRRNWSQALT-GOSISDBHSA-N 1 1 357.816 3.241 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000274440872 497098723 /nfs/dbraw/zinc/09/87/23/497098723.db2.gz AZKZGKKXMJOCNK-UHFFFAOYSA-N 1 1 370.497 3.059 20 30 FGEDMO C=CCCOCC[NH2+]Cc1ncc(Br)cc1Br ZINC000230557864 497105642 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ZINC000193128904 497309498 /nfs/dbraw/zinc/30/94/98/497309498.db2.gz AYSXLTZRARRJRG-UHFFFAOYSA-N 1 1 361.489 3.441 20 30 FGEDMO Cc1cc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)n[nH]1 ZINC000271587049 497390854 /nfs/dbraw/zinc/39/08/54/497390854.db2.gz DVCCDQHBAPEXPX-QGZVFWFLSA-N 1 1 365.481 3.233 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000245437748 497405149 /nfs/dbraw/zinc/40/51/49/497405149.db2.gz RSMUXODUNBTBPF-FPOVZHCZSA-N 1 1 370.541 3.212 20 30 FGEDMO COC1CCC([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279335015 497409808 /nfs/dbraw/zinc/40/98/08/497409808.db2.gz DICYFNLIQRIRFM-UHFFFAOYSA-N 1 1 353.470 3.248 20 30 FGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](C)C2)c1C#N ZINC000261399287 497410304 /nfs/dbraw/zinc/41/03/04/497410304.db2.gz ZUPUHQQZQKHFAN-CYBMUJFWSA-N 1 1 354.429 3.385 20 30 FGEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1C#N ZINC000261399287 497410308 /nfs/dbraw/zinc/41/03/08/497410308.db2.gz ZUPUHQQZQKHFAN-CYBMUJFWSA-N 1 1 354.429 3.385 20 30 FGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NCCCCn1cc[nH+]c1C ZINC000266751318 497411443 /nfs/dbraw/zinc/41/14/43/497411443.db2.gz FMWBKVUXVJTWPE-UHFFFAOYSA-N 1 1 356.470 3.378 20 30 FGEDMO CC[N@@H+]1CC[C@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418823 497435432 /nfs/dbraw/zinc/43/54/32/497435432.db2.gz OSBIAFXCFLYMQH-XLIONFOSSA-N 1 1 366.513 3.021 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418823 497435437 /nfs/dbraw/zinc/43/54/37/497435437.db2.gz OSBIAFXCFLYMQH-XLIONFOSSA-N 1 1 366.513 3.021 20 30 FGEDMO CCN1CC[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418823 497435442 /nfs/dbraw/zinc/43/54/42/497435442.db2.gz OSBIAFXCFLYMQH-XLIONFOSSA-N 1 1 366.513 3.021 20 30 FGEDMO CCN1CC[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418823 497435446 /nfs/dbraw/zinc/43/54/46/497435446.db2.gz OSBIAFXCFLYMQH-XLIONFOSSA-N 1 1 366.513 3.021 20 30 FGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279436787 497439116 /nfs/dbraw/zinc/43/91/16/497439116.db2.gz QVYOULXUEJKWRG-HXUWFJFHSA-N 1 1 367.497 3.496 20 30 FGEDMO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000275832017 497443539 /nfs/dbraw/zinc/44/35/39/497443539.db2.gz SOCGLSBHOLXTDA-APWZRJJASA-N 1 1 350.528 3.305 20 30 FGEDMO C[C@@H](C[N@@H+](C)CCC(=O)N(C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000190354525 497447380 /nfs/dbraw/zinc/44/73/80/497447380.db2.gz UZWLVUAPXOZXFT-ZDUSSCGKSA-N 1 1 372.296 3.455 20 30 FGEDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc(OCC#N)cc3)n2)c1 ZINC000279527769 497463253 /nfs/dbraw/zinc/46/32/53/497463253.db2.gz OYAIJNGCYSCBIN-HUUCEWRRSA-N 1 1 362.437 3.489 20 30 FGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000245576713 497464313 /nfs/dbraw/zinc/46/43/13/497464313.db2.gz GELJLCJVUIAIOA-FXAWDEMLSA-N 1 1 368.477 3.117 20 30 FGEDMO N#CC1(c2ccc(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000193841524 497499063 /nfs/dbraw/zinc/49/90/63/497499063.db2.gz QPZJRIVSDZTKDL-IBGZPJMESA-N 1 1 359.473 3.494 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccnc1Cl ZINC000190604867 497542306 /nfs/dbraw/zinc/54/23/06/497542306.db2.gz MXHGFFGKTHMPDZ-GUYCJALGSA-N 1 1 354.841 3.058 20 30 FGEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(F)ccc1F ZINC000190620306 497548833 /nfs/dbraw/zinc/54/88/33/497548833.db2.gz BWDLURVUUFSGCO-YJYMSZOUSA-N 1 1 355.388 3.288 20 30 FGEDMO C=C[C@H](CC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000245843017 497548987 /nfs/dbraw/zinc/54/89/87/497548987.db2.gz IAHXMUXYGWPKFS-BAGYTPMASA-N 1 1 364.489 3.098 20 30 FGEDMO COCC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccco1 ZINC000272379817 497612779 /nfs/dbraw/zinc/61/27/79/497612779.db2.gz BIDBCAFMZLYAJL-CRAIPNDOSA-N 1 1 373.428 3.421 20 30 FGEDMO C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272559459 497662897 /nfs/dbraw/zinc/66/28/97/497662897.db2.gz 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ZINC000572314078 505938831 /nfs/dbraw/zinc/93/88/31/505938831.db2.gz TYCAFFBRJXUGPE-GUYCJALGSA-N 1 1 370.840 3.087 20 30 FGEDMO Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000329711582 497877054 /nfs/dbraw/zinc/87/70/54/497877054.db2.gz OSALZTBLCRPFEW-KMFMINBZSA-N 1 1 361.490 3.082 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1 ZINC000329713748 497877485 /nfs/dbraw/zinc/87/74/85/497877485.db2.gz RYHQLQDPTKEDLY-KRWDZBQOSA-N 1 1 372.513 3.431 20 30 FGEDMO Cc1nc2ccc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2o1 ZINC000280760044 497887567 /nfs/dbraw/zinc/88/75/67/497887567.db2.gz IMXFPQJGORWRIP-UHFFFAOYSA-N 1 1 374.444 3.356 20 30 FGEDMO Cc1nc2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2o1 ZINC000280760044 497887572 /nfs/dbraw/zinc/88/75/72/497887572.db2.gz IMXFPQJGORWRIP-UHFFFAOYSA-N 1 1 374.444 3.356 20 30 FGEDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000329797011 497904186 /nfs/dbraw/zinc/90/41/86/497904186.db2.gz 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ZINC000329934882 497960102 /nfs/dbraw/zinc/96/01/02/497960102.db2.gz CEVXNKRLYPMODN-WMLDXEAASA-N 1 1 360.845 3.069 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)c2cc3n(n2)CCCO3)[C@H]1c1ccc(Cl)cc1 ZINC000329934882 497960108 /nfs/dbraw/zinc/96/01/08/497960108.db2.gz CEVXNKRLYPMODN-WMLDXEAASA-N 1 1 360.845 3.069 20 30 FGEDMO COCc1nccc([C@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)n1 ZINC000364441466 497960176 /nfs/dbraw/zinc/96/01/76/497960176.db2.gz GZMWPNHLGHNWRS-SFHVURJKSA-N 1 1 366.465 3.143 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280954024 497963256 /nfs/dbraw/zinc/96/32/56/497963256.db2.gz KFVNATZXCWSPFS-WLRLJWMZSA-N 1 1 371.525 3.177 20 30 FGEDMO CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C12CCOCC2 ZINC000329983336 497980347 /nfs/dbraw/zinc/98/03/47/497980347.db2.gz BBWOSDQKYKOFDT-FGTMMUONSA-N 1 1 350.503 3.324 20 30 FGEDMO Cc1csc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1C#N ZINC000569540118 505958271 /nfs/dbraw/zinc/95/82/71/505958271.db2.gz MFPUMFOYFHXISX-UHFFFAOYSA-N 1 1 354.479 3.320 20 30 FGEDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000281051051 498000494 /nfs/dbraw/zinc/00/04/94/498000494.db2.gz QVCHGCHHOPOJPN-SFHVURJKSA-N 1 1 351.454 3.330 20 30 FGEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000281051051 498000500 /nfs/dbraw/zinc/00/05/00/498000500.db2.gz QVCHGCHHOPOJPN-SFHVURJKSA-N 1 1 351.454 3.330 20 30 FGEDMO N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000296364862 498013525 /nfs/dbraw/zinc/01/35/25/498013525.db2.gz IMIBYBDIPSQPGS-RDJZCZTQSA-N 1 1 358.511 3.439 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000330101341 498021919 /nfs/dbraw/zinc/02/19/19/498021919.db2.gz FDKONXOJPMVOQR-FGTMMUONSA-N 1 1 357.498 3.103 20 30 FGEDMO C[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+](C2CCC2)C1 ZINC000292470710 498027881 /nfs/dbraw/zinc/02/78/81/498027881.db2.gz VBGZJCLNVZCEGV-OAHLLOKOSA-N 1 1 364.449 3.160 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296424725 498037937 /nfs/dbraw/zinc/03/79/37/498037937.db2.gz VBWAULGAKCOXCW-LLVKDONJSA-N 1 1 374.432 3.102 20 30 FGEDMO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330147336 498039298 /nfs/dbraw/zinc/03/92/98/498039298.db2.gz IPNPHBCAIDRGIN-QSEDAMICSA-N 1 1 352.519 3.426 20 30 FGEDMO CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@@]2(CCOC2)O1 ZINC000330147336 498039304 /nfs/dbraw/zinc/03/93/04/498039304.db2.gz IPNPHBCAIDRGIN-QSEDAMICSA-N 1 1 352.519 3.426 20 30 FGEDMO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000572446363 505970748 /nfs/dbraw/zinc/97/07/48/505970748.db2.gz RBOLLWXVTBPTKI-UHFFFAOYSA-N 1 1 362.481 3.172 20 30 FGEDMO C=C(C)Cn1c(CC(F)(F)F)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000575400837 505972297 /nfs/dbraw/zinc/97/22/97/505972297.db2.gz YPDJDLPMKKVZNB-UHFFFAOYSA-N 1 1 359.440 3.270 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)CN2CCC3(CCC[N@@H+]3C)CC2)cc1C 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498233441 /nfs/dbraw/zinc/23/34/41/498233441.db2.gz XTMYEISLHIYNHX-LLVKDONJSA-N 1 1 361.273 3.071 20 30 FGEDMO N#Cc1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000575804847 506009166 /nfs/dbraw/zinc/00/91/66/506009166.db2.gz DKJPMAKHSFOADY-LJQANCHMSA-N 1 1 351.406 3.338 20 30 FGEDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569763948 506010300 /nfs/dbraw/zinc/01/03/00/506010300.db2.gz IMIRQPFWNFAPRB-INIZCTEOSA-N 1 1 372.490 3.171 20 30 FGEDMO C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569763948 506010302 /nfs/dbraw/zinc/01/03/02/506010302.db2.gz IMIRQPFWNFAPRB-INIZCTEOSA-N 1 1 372.490 3.171 20 30 FGEDMO C=CCOc1ccc(/C=C/C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000297041763 498300077 /nfs/dbraw/zinc/30/00/77/498300077.db2.gz OILCEJVRBLLFLQ-BCDJLXPKSA-N 1 1 356.466 3.015 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H](O)CC2)c1C#N ZINC000293258695 498323509 /nfs/dbraw/zinc/32/35/09/498323509.db2.gz UHPPBZSGPVIPCK-SFHVURJKSA-N 1 1 372.513 3.267 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@H](O)CC2)c1C#N ZINC000293258695 498323513 /nfs/dbraw/zinc/32/35/13/498323513.db2.gz UHPPBZSGPVIPCK-SFHVURJKSA-N 1 1 372.513 3.267 20 30 FGEDMO Cn1cc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C#N ZINC000365233502 498365380 /nfs/dbraw/zinc/36/53/80/498365380.db2.gz JHKPSLRLMSVEMU-UHFFFAOYSA-N 1 1 363.387 3.023 20 30 FGEDMO C=CCC[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1ccccc1 ZINC000569821625 506024716 /nfs/dbraw/zinc/02/47/16/506024716.db2.gz GDRFUBAZBVFOKQ-WOJBJXKFSA-N 1 1 350.466 3.445 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+]2CCC(C)(CO)CC2)c1C#N ZINC000331679155 498418587 /nfs/dbraw/zinc/41/85/87/498418587.db2.gz ZUVFFQMMLRLTHW-UHFFFAOYSA-N 1 1 372.513 3.125 20 30 FGEDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc(C#N)cc1 ZINC000365377680 498433624 /nfs/dbraw/zinc/43/36/24/498433624.db2.gz PPXQFNNFUBFPSV-GOSISDBHSA-N 1 1 351.454 3.252 20 30 FGEDMO N#Cc1c(F)ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1Cl ZINC000365403034 498449569 /nfs/dbraw/zinc/44/95/69/498449569.db2.gz DTIDHECZBULMPV-UHFFFAOYSA-N 1 1 365.880 3.475 20 30 FGEDMO N#Cc1c(F)ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1Cl ZINC000365440989 498468446 /nfs/dbraw/zinc/46/84/46/498468446.db2.gz WKYBQTYOLIVBGP-CYBMUJFWSA-N 1 1 352.837 3.368 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)OC[C@@H]3C)sc2C1 ZINC000331887217 498488848 /nfs/dbraw/zinc/48/88/48/498488848.db2.gz FVUOIDZJIFHKMD-HZSPNIEDSA-N 1 1 361.511 3.182 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H](C)OC[C@@H]3C)sc2C1 ZINC000331887217 498488854 /nfs/dbraw/zinc/48/88/54/498488854.db2.gz FVUOIDZJIFHKMD-HZSPNIEDSA-N 1 1 361.511 3.182 20 30 FGEDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC1(C)C ZINC000362338028 498500933 /nfs/dbraw/zinc/50/09/33/498500933.db2.gz ZRYQEWPVUZOKBQ-MRXNPFEDSA-N 1 1 360.454 3.009 20 30 FGEDMO CC[C@@H](Nc1ccc(C)c(C#N)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302670873 498528161 /nfs/dbraw/zinc/52/81/61/498528161.db2.gz RJZDTISAHIDZKQ-UYAOXDASSA-N 1 1 350.466 3.353 20 30 FGEDMO CC[C@@H](Nc1ccc(C)c(C#N)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302670873 498528171 /nfs/dbraw/zinc/52/81/71/498528171.db2.gz RJZDTISAHIDZKQ-UYAOXDASSA-N 1 1 350.466 3.353 20 30 FGEDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(Br)cc2C#N)CC1 ZINC000302683875 498531910 /nfs/dbraw/zinc/53/19/10/498531910.db2.gz STMAGBYXYXYLTK-AWEZNQCLSA-N 1 1 365.319 3.006 20 30 FGEDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000365613709 498558404 /nfs/dbraw/zinc/55/84/04/498558404.db2.gz CBYJCHMIKXTBNE-OAQYLSRUSA-N 1 1 352.482 3.304 20 30 FGEDMO N#Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)ccc1F ZINC000362955739 498588919 /nfs/dbraw/zinc/58/89/19/498588919.db2.gz QJYWTWGADNHUTR-INIZCTEOSA-N 1 1 367.428 3.126 20 30 FGEDMO COc1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)cc1OCCCC#N ZINC000290566978 498601176 /nfs/dbraw/zinc/60/11/76/498601176.db2.gz STLNYIATMVZJCE-UHFFFAOYSA-N 1 1 367.440 3.151 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(CC(F)F)CC2)cc1OCCCC#N ZINC000290566978 498601183 /nfs/dbraw/zinc/60/11/83/498601183.db2.gz STLNYIATMVZJCE-UHFFFAOYSA-N 1 1 367.440 3.151 20 30 FGEDMO CCc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CC(C)C ZINC000581759372 506061622 /nfs/dbraw/zinc/06/16/22/506061622.db2.gz NPPRUWYQYISJKU-UHFFFAOYSA-N 1 1 366.513 3.080 20 30 FGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000287055435 498609151 /nfs/dbraw/zinc/60/91/51/498609151.db2.gz IFVIGTIJZJOJPI-INIZCTEOSA-N 1 1 364.449 3.326 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000332237768 498613755 /nfs/dbraw/zinc/61/37/55/498613755.db2.gz SHFYJEVXSPTFNO-KNKQGSTJSA-N 1 1 370.541 3.026 20 30 FGEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1cccc(OCC#N)c1 ZINC000287084269 498622805 /nfs/dbraw/zinc/62/28/05/498622805.db2.gz RJCYQFSXKJEAJP-UHFFFAOYSA-N 1 1 356.426 3.168 20 30 FGEDMO N#Cc1ccc(CCC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000363070917 498634995 /nfs/dbraw/zinc/63/49/95/498634995.db2.gz AXXJRXFRPOLMFY-JOCHJYFZSA-N 1 1 361.489 3.172 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000302976558 498635763 /nfs/dbraw/zinc/63/57/63/498635763.db2.gz JMRSNEHELUQNKU-UHFFFAOYSA-N 1 1 367.449 3.074 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000302976558 498635768 /nfs/dbraw/zinc/63/57/68/498635768.db2.gz JMRSNEHELUQNKU-UHFFFAOYSA-N 1 1 367.449 3.074 20 30 FGEDMO C=CCC[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1ccccc1 ZINC000290760431 498670827 /nfs/dbraw/zinc/67/08/27/498670827.db2.gz PXNBIBIYXMRHHJ-YZGWKJHDSA-N 1 1 357.498 3.199 20 30 FGEDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccc(SCC#N)c1 ZINC000365860294 498675493 /nfs/dbraw/zinc/67/54/93/498675493.db2.gz CBOMAVSIRTVOQF-INIZCTEOSA-N 1 1 354.479 3.366 20 30 FGEDMO CN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000298212891 498695759 /nfs/dbraw/zinc/69/57/59/498695759.db2.gz UVCBJVMIUSPEQV-YSIASYRMSA-N 1 1 354.498 3.375 20 30 FGEDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000363227230 498713348 /nfs/dbraw/zinc/71/33/48/498713348.db2.gz FUJBHAQTOCKOEV-GOSISDBHSA-N 1 1 366.465 3.143 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(C#N)cc3)[C@@H](C)C2)s1 ZINC000363248120 498725486 /nfs/dbraw/zinc/72/54/86/498725486.db2.gz AQOCRVMKCIKBGT-UGSOOPFHSA-N 1 1 369.494 3.355 20 30 FGEDMO CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363259017 498732271 /nfs/dbraw/zinc/73/22/71/498732271.db2.gz KXAABIMOHUDLQQ-ZYSHUDEJSA-N 1 1 352.482 3.436 20 30 FGEDMO N#Cc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1Br ZINC000332618221 498743510 /nfs/dbraw/zinc/74/35/10/498743510.db2.gz QPRXTULXJGRGJK-AWEZNQCLSA-N 1 1 363.259 3.023 20 30 FGEDMO N#Cc1cccc(OCCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000312940280 498764542 /nfs/dbraw/zinc/76/45/42/498764542.db2.gz PMQWZWFBWZPFIO-FCHUYYIVSA-N 1 1 361.489 3.391 20 30 FGEDMO N#Cc1cccc(OCCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000312940280 498764546 /nfs/dbraw/zinc/76/45/46/498764546.db2.gz PMQWZWFBWZPFIO-FCHUYYIVSA-N 1 1 361.489 3.391 20 30 FGEDMO N#Cc1cccc(OCC[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000312940280 498764550 /nfs/dbraw/zinc/76/45/50/498764550.db2.gz PMQWZWFBWZPFIO-FCHUYYIVSA-N 1 1 361.489 3.391 20 30 FGEDMO N#Cc1cccc(OCC[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000312940280 498764554 /nfs/dbraw/zinc/76/45/54/498764554.db2.gz PMQWZWFBWZPFIO-FCHUYYIVSA-N 1 1 361.489 3.391 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000332900721 498829090 /nfs/dbraw/zinc/82/90/90/498829090.db2.gz KZQJWLAOTDJSJZ-HSALFYBXSA-N 1 1 374.573 3.304 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1 ZINC000294891559 498839405 /nfs/dbraw/zinc/83/94/05/498839405.db2.gz WMWIJRVZHCBSQQ-SFHVURJKSA-N 1 1 356.514 3.150 20 30 FGEDMO COC(=O)c1ccc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c(C#N)n1 ZINC000581954118 506099411 /nfs/dbraw/zinc/09/94/11/506099411.db2.gz 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CCOc1cc2c(cc1NC(=O)C[N@H+](C)[C@H]1CCSC1)O[C@@H](C)C2 ZINC000328793244 498940501 /nfs/dbraw/zinc/94/05/01/498940501.db2.gz ASMCZSHCNSTQGF-JSGCOSHPSA-N 1 1 350.484 3.434 20 30 FGEDMO CCOc1cc2c(cc1NC(=O)C[N@@H+](C)[C@H]1CCSC1)O[C@@H](C)C2 ZINC000328793244 498940508 /nfs/dbraw/zinc/94/05/08/498940508.db2.gz ASMCZSHCNSTQGF-JSGCOSHPSA-N 1 1 350.484 3.434 20 30 FGEDMO CCc1nc(CN2CCC[C@H]([N@@H+](C)[C@@H](C)c3cccc(C#N)c3)C2)no1 ZINC000363685098 498944842 /nfs/dbraw/zinc/94/48/42/498944842.db2.gz DHEZWDNGTRWGPO-YJBOKZPZSA-N 1 1 353.470 3.161 20 30 FGEDMO C[N@@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1CCSC1 ZINC000328846676 498959418 /nfs/dbraw/zinc/95/94/18/498959418.db2.gz XTMJOMDBGDHBOQ-BEFAXECRSA-N 1 1 362.495 3.303 20 30 FGEDMO O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)NC1(c2ccccc2)CCC1 ZINC000328863861 498966253 /nfs/dbraw/zinc/96/62/53/498966253.db2.gz VYMFDTZLQFRZLF-UHFFFAOYSA-N 1 1 369.509 3.357 20 30 FGEDMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)C1 ZINC000328928237 498989341 /nfs/dbraw/zinc/98/93/41/498989341.db2.gz XTCABNHNRZWDBJ-CABCVRRESA-N 1 1 361.511 3.202 20 30 FGEDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2)CC1 ZINC000284097553 499047973 /nfs/dbraw/zinc/04/79/73/499047973.db2.gz BWIRXKSGSJHKFG-UHFFFAOYSA-N 1 1 352.413 3.092 20 30 FGEDMO Cc1c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)nnn1-c1cccc(C)c1 ZINC000329133280 499052324 /nfs/dbraw/zinc/05/23/24/499052324.db2.gz BBZIQXWWSDZPPG-INIZCTEOSA-N 1 1 353.470 3.206 20 30 FGEDMO C[N@@H+](CCNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O)C1CCCC1 ZINC000329141792 499054005 /nfs/dbraw/zinc/05/40/05/499054005.db2.gz ULWXYGXPBWKWGV-NSHGMRRFSA-N 1 1 351.535 3.180 20 30 FGEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)C1 ZINC000329144314 499054252 /nfs/dbraw/zinc/05/42/52/499054252.db2.gz WEYIREYTBDORPR-HDAAZOAOSA-N 1 1 365.562 3.426 20 30 FGEDMO CC1CCC(C)(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329149911 499056148 /nfs/dbraw/zinc/05/61/48/499056148.db2.gz ZEPMYILUYJXJLW-CAZWYBIWSA-N 1 1 361.534 3.275 20 30 FGEDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC(=O)Nc3cc(F)cc(F)c3)C2)n1 ZINC000329192899 499067406 /nfs/dbraw/zinc/06/74/06/499067406.db2.gz TUHXSOAHHAQZBQ-CQSZACIVSA-N 1 1 363.412 3.173 20 30 FGEDMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CC(=O)Nc3cc(F)cc(F)c3)C2)n1 ZINC000329192899 499067410 /nfs/dbraw/zinc/06/74/10/499067410.db2.gz TUHXSOAHHAQZBQ-CQSZACIVSA-N 1 1 363.412 3.173 20 30 FGEDMO O=C(C[C@H]1CCCS(=O)(=O)C1)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000329192729 499068100 /nfs/dbraw/zinc/06/81/00/499068100.db2.gz SEJAJUNYRGYYHZ-QGZVFWFLSA-N 1 1 370.559 3.204 20 30 FGEDMO Cc1csc(C2([NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCC2)n1 ZINC000329240548 499081345 /nfs/dbraw/zinc/08/13/45/499081345.db2.gz MUIWWOLRLLXXEG-KRWDZBQOSA-N 1 1 366.490 3.488 20 30 FGEDMO C[C@@H](NC(=O)NCc1ccnc(OC2CCCCC2)c1)C1=CC[N@@H+](C)CC1 ZINC000329323174 499099208 /nfs/dbraw/zinc/09/92/08/499099208.db2.gz VARMXNJOHWRYHT-MRXNPFEDSA-N 1 1 372.513 3.447 20 30 FGEDMO 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C=CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccccc1 ZINC000375310894 499505829 /nfs/dbraw/zinc/50/58/29/499505829.db2.gz UBKNGECJYMMUFW-JBACZVJFSA-N 1 1 366.509 3.279 20 30 FGEDMO N#CCCN(C(=O)C[NH+]1CCC(F)(c2cccnc2)CC1)c1ccccc1 ZINC000375337825 499508443 /nfs/dbraw/zinc/50/84/43/499508443.db2.gz OQNNSHBUMQCQID-UHFFFAOYSA-N 1 1 366.440 3.289 20 30 FGEDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(F)c(C#N)c1Cl)CC2 ZINC000375407537 499515072 /nfs/dbraw/zinc/51/50/72/499515072.db2.gz ZBQXIAACNZWQDT-JKSUJKDBSA-N 1 1 352.837 3.103 20 30 FGEDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000378537263 499529351 /nfs/dbraw/zinc/52/93/51/499529351.db2.gz JFTXNFYLBWRYGO-MRXNPFEDSA-N 1 1 356.857 3.253 20 30 FGEDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000378537263 499529352 /nfs/dbraw/zinc/52/93/52/499529352.db2.gz JFTXNFYLBWRYGO-MRXNPFEDSA-N 1 1 356.857 3.253 20 30 FGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(COC)n3)C2)cc1 ZINC000375850671 499562174 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/nfs/dbraw/zinc/71/32/01/499713201.db2.gz GPIDTQNHCKOYNR-CQSZACIVSA-N 1 1 363.527 3.168 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](CO)c1ccccc1 ZINC000411230005 499714485 /nfs/dbraw/zinc/71/44/85/499714485.db2.gz VYIJGXPTDSPYDF-GOSISDBHSA-N 1 1 357.841 3.206 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000411486441 499746719 /nfs/dbraw/zinc/74/67/19/499746719.db2.gz KUNYHCZLVBNZFS-QFBILLFUSA-N 1 1 354.450 3.339 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000411486441 499746721 /nfs/dbraw/zinc/74/67/21/499746721.db2.gz KUNYHCZLVBNZFS-QFBILLFUSA-N 1 1 354.450 3.339 20 30 FGEDMO CC(C)[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nc(C2CC2)no1 ZINC000411486707 499746793 /nfs/dbraw/zinc/74/67/93/499746793.db2.gz IBKIQINXPFIWNH-KRWDZBQOSA-N 1 1 353.426 3.134 20 30 FGEDMO C=CCN(C(=O)Nc1cc(C)nn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378056927 499756569 /nfs/dbraw/zinc/75/65/69/499756569.db2.gz VAQUQSLFEBUEPV-GOSISDBHSA-N 1 1 353.470 3.023 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414189099 499767348 /nfs/dbraw/zinc/76/73/48/499767348.db2.gz QZEIFGOQHDJBOC-CTNGQTDRSA-N 1 1 359.510 3.292 20 30 FGEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(C)(C)O ZINC000411782517 499790185 /nfs/dbraw/zinc/79/01/85/499790185.db2.gz IEWBTPRJJJUZEU-QWHCGFSZSA-N 1 1 363.527 3.164 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](CO)CC(C)(C)C ZINC000411794917 499791322 /nfs/dbraw/zinc/79/13/22/499791322.db2.gz QATGIEAFUAATJE-ZDUSSCGKSA-N 1 1 363.527 3.166 20 30 FGEDMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H]1Cc1ccccc1 ZINC000412347545 499847172 /nfs/dbraw/zinc/84/71/72/499847172.db2.gz WWRYJERRSATJBP-BHIFYINESA-N 1 1 359.473 3.047 20 30 FGEDMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H]1Cc1ccccc1 ZINC000412347545 499847173 /nfs/dbraw/zinc/84/71/73/499847173.db2.gz WWRYJERRSATJBP-BHIFYINESA-N 1 1 359.473 3.047 20 30 FGEDMO C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413290408 499937798 /nfs/dbraw/zinc/93/77/98/499937798.db2.gz ADGFWBWIAGYBOP-ZWUHOBOKSA-N 1 1 364.287 3.391 20 30 FGEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000429007075 499980254 /nfs/dbraw/zinc/98/02/54/499980254.db2.gz LWJAUXNHDKMTNA-LBTNJELSSA-N 1 1 362.315 3.483 20 30 FGEDMO COCC(C)(C)[NH+]1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000424981038 499981910 /nfs/dbraw/zinc/98/19/10/499981910.db2.gz ASPKLPVIIRQETG-UHFFFAOYSA-N 1 1 371.506 3.264 20 30 FGEDMO C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000413602861 500001332 /nfs/dbraw/zinc/00/13/32/500001332.db2.gz KEVQUKWCCWMIAO-MRXNPFEDSA-N 1 1 366.440 3.113 20 30 FGEDMO C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000413602861 500001334 /nfs/dbraw/zinc/00/13/34/500001334.db2.gz KEVQUKWCCWMIAO-MRXNPFEDSA-N 1 1 366.440 3.113 20 30 FGEDMO N#Cc1cc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)ccn1 ZINC000413622449 500006149 /nfs/dbraw/zinc/00/61/49/500006149.db2.gz RXZZUJMXYLHTPG-UHFFFAOYSA-N 1 1 371.282 3.214 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000429147725 500013580 /nfs/dbraw/zinc/01/35/80/500013580.db2.gz CHJNLQFUDWGTKE-JXFKEZNVSA-N 1 1 366.461 3.491 20 30 FGEDMO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000576500163 506173124 /nfs/dbraw/zinc/17/31/24/506173124.db2.gz NYCSQSRAJDAGNL-CQSZACIVSA-N 1 1 369.446 3.132 20 30 FGEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000413826151 500067916 /nfs/dbraw/zinc/06/79/16/500067916.db2.gz HLIRVUMHWPJGIN-UYAOXDASSA-N 1 1 371.525 3.069 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000425423767 500101264 /nfs/dbraw/zinc/10/12/64/500101264.db2.gz ONLWTVIQMKQFEK-YYWHXJBOSA-N 1 1 371.525 3.451 20 30 FGEDMO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccccn1 ZINC000429674872 500121433 /nfs/dbraw/zinc/12/14/33/500121433.db2.gz VTYPEPFJAJWUBD-OAQYLSRUSA-N 1 1 351.450 3.451 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425503391 500126321 /nfs/dbraw/zinc/12/63/21/500126321.db2.gz IXMJIDPMAAETKB-HXUWFJFHSA-N 1 1 374.554 3.256 20 30 FGEDMO COCCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425529060 500134034 /nfs/dbraw/zinc/13/40/34/500134034.db2.gz ALTODSYPTCSOJQ-UWJYYQICSA-N 1 1 368.477 3.180 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000425537724 500137237 /nfs/dbraw/zinc/13/72/37/500137237.db2.gz QVGNYIDDHWPVAZ-CZUORRHYSA-N 1 1 353.388 3.352 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000425537724 500137240 /nfs/dbraw/zinc/13/72/40/500137240.db2.gz QVGNYIDDHWPVAZ-CZUORRHYSA-N 1 1 353.388 3.352 20 30 FGEDMO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425536661 500137345 /nfs/dbraw/zinc/13/73/45/500137345.db2.gz PDNMQCFGOSEGCL-MRXNPFEDSA-N 1 1 351.450 3.218 20 30 FGEDMO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425536661 500137348 /nfs/dbraw/zinc/13/73/48/500137348.db2.gz PDNMQCFGOSEGCL-MRXNPFEDSA-N 1 1 351.450 3.218 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425710320 500185659 /nfs/dbraw/zinc/18/56/59/500185659.db2.gz MSNAIPZJBIPHPR-KRFUXDQASA-N 1 1 354.498 3.134 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc(C#N)s1 ZINC000422219427 500236245 /nfs/dbraw/zinc/23/62/45/500236245.db2.gz OIVAUZVAPMGMHH-UHFFFAOYSA-N 1 1 356.495 3.330 20 30 FGEDMO N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000431163292 500343822 /nfs/dbraw/zinc/34/38/22/500343822.db2.gz XGGPDWMQBNOLSN-UYAOXDASSA-N 1 1 359.429 3.070 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000419656874 500388259 /nfs/dbraw/zinc/38/82/59/500388259.db2.gz ZXQCFZYLIPOMQF-YSSFQJQWSA-N 1 1 354.498 3.307 20 30 FGEDMO Cc1c(C#N)cccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000431760850 500421061 /nfs/dbraw/zinc/42/10/61/500421061.db2.gz YGGRXGHVRRKRIG-UHFFFAOYSA-N 1 1 354.479 3.320 20 30 FGEDMO C[C@@H]1C[N@H+](CCCNC(=O)N[C@H](CCCC#N)c2ccccc2)C[C@H](C)O1 ZINC000431780795 500424025 /nfs/dbraw/zinc/42/40/25/500424025.db2.gz ZVNWCSSNRRJUPI-WSTZPKSXSA-N 1 1 372.513 3.220 20 30 FGEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000427881732 500442163 /nfs/dbraw/zinc/44/21/63/500442163.db2.gz ZXCWDNUMCOFUDJ-CYBMUJFWSA-N 1 1 362.543 3.207 20 30 FGEDMO N#Cc1cnc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(Cl)c1 ZINC000428034240 500460966 /nfs/dbraw/zinc/46/09/66/500460966.db2.gz SJIVLVRILYTTKW-ZDUSSCGKSA-N 1 1 374.897 3.310 20 30 FGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)nn1 ZINC000424301409 500483214 /nfs/dbraw/zinc/48/32/14/500483214.db2.gz ZVRWNHLPMPTUPF-NSHDSACASA-N 1 1 351.248 3.086 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000428237979 500485162 /nfs/dbraw/zinc/48/51/62/500485162.db2.gz BZIKTAVLNJVHKM-HXUWFJFHSA-N 1 1 370.541 3.355 20 30 FGEDMO C[C@@H]1CCN(C(=O)NCc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000420881214 500520480 /nfs/dbraw/zinc/52/04/80/500520480.db2.gz DYBJDASUSCKIOV-MRXNPFEDSA-N 1 1 368.506 3.426 20 30 FGEDMO C=C(C)C(C)(C)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000424598944 500524940 /nfs/dbraw/zinc/52/49/40/500524940.db2.gz JJXAUJLFVQOSQV-UHFFFAOYSA-N 1 1 357.542 3.303 20 30 FGEDMO C=CCC(C)(C)CNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000432562183 500533206 /nfs/dbraw/zinc/53/32/06/500533206.db2.gz IVBVRHCFLHYWJJ-CALCHBBNSA-N 1 1 351.535 3.120 20 30 FGEDMO CC(=O)c1ccc(C#N)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000428684264 500543064 /nfs/dbraw/zinc/54/30/64/500543064.db2.gz UZWXYRZAKJDTLX-OAQYLSRUSA-N 1 1 363.461 3.464 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428727869 500549769 /nfs/dbraw/zinc/54/97/69/500549769.db2.gz JCRPVYWLEJEFEU-QGAOAIPTSA-N 1 1 353.457 3.283 20 30 FGEDMO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428777349 500556307 /nfs/dbraw/zinc/55/63/07/500556307.db2.gz FAAFEEZJRNTAPT-MRXNPFEDSA-N 1 1 371.824 3.047 20 30 FGEDMO COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428777349 500556310 /nfs/dbraw/zinc/55/63/10/500556310.db2.gz FAAFEEZJRNTAPT-MRXNPFEDSA-N 1 1 371.824 3.047 20 30 FGEDMO Cc1ccc(C)c(OCCC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428788067 500557545 /nfs/dbraw/zinc/55/75/45/500557545.db2.gz VSDLZHVBBFLLNL-IBGZPJMESA-N 1 1 351.450 3.492 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@H]1C ZINC000428799662 500558995 /nfs/dbraw/zinc/55/89/95/500558995.db2.gz KIYLOTGKKNKLGG-SJORKVTESA-N 1 1 365.481 3.018 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+](CCc3ccccc3)[C@H]3CCOC3)o2)c1 ZINC000437526690 500655754 /nfs/dbraw/zinc/65/57/54/500655754.db2.gz SROSYCBXMUVGFW-FQEVSTJZSA-N 1 1 374.444 3.442 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+](CCc3ccccc3)[C@H]3CCOC3)o2)c1 ZINC000437526690 500655756 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FGEDMO C=CCC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000448521372 500767330 /nfs/dbraw/zinc/76/73/30/500767330.db2.gz QNYGGODYLVTJIZ-MRXNPFEDSA-N 1 1 371.403 3.182 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Br)cc1C#N ZINC000448591565 500780144 /nfs/dbraw/zinc/78/01/44/500780144.db2.gz IKSPGGNEDWWXMV-CYBMUJFWSA-N 1 1 364.287 3.315 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444036835 500795362 /nfs/dbraw/zinc/79/53/62/500795362.db2.gz ZCVCCJFVMNWFTQ-QGZVFWFLSA-N 1 1 366.509 3.416 20 30 FGEDMO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000438639514 500810531 /nfs/dbraw/zinc/81/05/31/500810531.db2.gz WXCUIQGCCQIRBN-UONOGXRCSA-N 1 1 352.360 3.325 20 30 FGEDMO CCN(C(=O)c1cc(C#N)[nH]c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000448766620 500827908 /nfs/dbraw/zinc/82/79/08/500827908.db2.gz COCUBBQGKJZPQE-LPHOPBHVSA-N 1 1 350.466 3.492 20 30 FGEDMO Cc1cccc(NCCNC(=O)c2cn(CCCC#N)c3ccccc23)[nH+]1 ZINC000444296619 500831423 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CCC[N@H+]1CCC[C@H]1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000477845584 501807047 /nfs/dbraw/zinc/80/70/47/501807047.db2.gz GVUSQHSBBDYGQZ-KRWDZBQOSA-N 1 1 367.415 3.231 20 30 FGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470803912 501809732 /nfs/dbraw/zinc/80/97/32/501809732.db2.gz REXIWZKIPMTVLQ-OALUTQOASA-N 1 1 372.875 3.026 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000467519758 501815123 /nfs/dbraw/zinc/81/51/23/501815123.db2.gz GDEZUQPASIEYCQ-KRWDZBQOSA-N 1 1 355.394 3.074 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000467519758 501815128 /nfs/dbraw/zinc/81/51/28/501815128.db2.gz GDEZUQPASIEYCQ-KRWDZBQOSA-N 1 1 355.394 3.074 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470822728 501817313 /nfs/dbraw/zinc/81/73/13/501817313.db2.gz LVGNJRXTTCLWGQ-IRXDYDNUSA-N 1 1 374.485 3.068 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)C[C@@H]2CCCO2)c1C#N ZINC000481597030 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C=C(C)C[N@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccco1 ZINC000481215319 502785427 /nfs/dbraw/zinc/78/54/27/502785427.db2.gz XPUQHXRFIGOLCG-IBGZPJMESA-N 1 1 367.449 3.474 20 30 FGEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C[C@@H](C)OC ZINC000463421183 502793772 /nfs/dbraw/zinc/79/37/72/502793772.db2.gz XZMNTVGTZVNXIB-OAHLLOKOSA-N 1 1 368.481 3.261 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1C ZINC000463442964 502806286 /nfs/dbraw/zinc/80/62/86/502806286.db2.gz IKHPTTIEUIICFQ-JOCHJYFZSA-N 1 1 352.478 3.110 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1C ZINC000463442964 502806292 /nfs/dbraw/zinc/80/62/92/502806292.db2.gz IKHPTTIEUIICFQ-JOCHJYFZSA-N 1 1 352.478 3.110 20 30 FGEDMO C=CCn1cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000488790377 502810289 /nfs/dbraw/zinc/81/02/89/502810289.db2.gz WNVXPGZASXVBIY-UXHICEINSA-N 1 1 372.557 3.083 20 30 FGEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@@H](C)C(=O)N(C)CCC#N ZINC000488797059 502811560 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ZINC000599139938 506340876 /nfs/dbraw/zinc/34/08/76/506340876.db2.gz PLEZWNOZSOZYQV-INIZCTEOSA-N 1 1 352.394 3.161 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000599139938 506340884 /nfs/dbraw/zinc/34/08/84/506340884.db2.gz PLEZWNOZSOZYQV-INIZCTEOSA-N 1 1 352.394 3.161 20 30 FGEDMO N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000489360564 502937242 /nfs/dbraw/zinc/93/72/42/502937242.db2.gz FPTFRYJALUQKNM-NJYVYQBISA-N 1 1 366.509 3.200 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2nc3ncccc3cc2C#N)cc1 ZINC000599144597 506342447 /nfs/dbraw/zinc/34/24/47/506342447.db2.gz IAKJZVXTTRHBKO-GOSISDBHSA-N 1 1 359.433 3.196 20 30 FGEDMO C=C1CC[NH+](Cc2ccc(OCCN3CCOCC3)c(Cl)c2)CC1 ZINC000513450316 502942182 /nfs/dbraw/zinc/94/21/82/502942182.db2.gz JCDNRUWVCDSBSY-UHFFFAOYSA-N 1 1 350.890 3.203 20 30 FGEDMO C[C@@H](NC(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1)c1cccs1 ZINC000602899997 506343016 /nfs/dbraw/zinc/34/30/16/506343016.db2.gz WMGLZYSYLGMUKO-OAHLLOKOSA-N 1 1 368.506 3.373 20 30 FGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000489396406 502947187 /nfs/dbraw/zinc/94/71/87/502947187.db2.gz DHXVFHFXESBSDB-GFCCVEGCSA-N 1 1 355.364 3.082 20 30 FGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000489396406 502947188 /nfs/dbraw/zinc/94/71/88/502947188.db2.gz DHXVFHFXESBSDB-GFCCVEGCSA-N 1 1 355.364 3.082 20 30 FGEDMO CCC[N@@H+](C)[C@@H](CNS(=O)(=O)CCCCC#N)c1ccc(Cl)cc1 ZINC000509617373 502950042 /nfs/dbraw/zinc/95/00/42/502950042.db2.gz KWBQMGBHHJRPJM-KRWDZBQOSA-N 1 1 371.934 3.336 20 30 FGEDMO C=CCN(CCc1ccco1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000497408966 502951662 /nfs/dbraw/zinc/95/16/62/502951662.db2.gz ZNPRBHCWGXFZAC-UHFFFAOYSA-N 1 1 359.495 3.140 20 30 FGEDMO C=CCN(CCc1ccco1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000497408966 502951664 /nfs/dbraw/zinc/95/16/64/502951664.db2.gz ZNPRBHCWGXFZAC-UHFFFAOYSA-N 1 1 359.495 3.140 20 30 FGEDMO C[N@@H+](CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)[C@H]1CCSC1 ZINC000501203977 502957697 /nfs/dbraw/zinc/95/76/97/502957697.db2.gz JPBNUKXWNRTQQE-SMDDNHRTSA-N 1 1 358.294 3.112 20 30 FGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000489483811 502969709 /nfs/dbraw/zinc/96/97/09/502969709.db2.gz WFSUZUMXSYDFAN-HXUWFJFHSA-N 1 1 366.509 3.205 20 30 FGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000489483811 502969712 /nfs/dbraw/zinc/96/97/12/502969712.db2.gz WFSUZUMXSYDFAN-HXUWFJFHSA-N 1 1 366.509 3.205 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505813753 502991700 /nfs/dbraw/zinc/99/17/00/502991700.db2.gz UHFSRERWQVHALF-SFHVURJKSA-N 1 1 352.434 3.347 20 30 FGEDMO COc1cc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c([N+](=O)[O-])cc1F ZINC000602908473 506345600 /nfs/dbraw/zinc/34/56/00/506345600.db2.gz RVJFRDLQDIOOPG-UHFFFAOYSA-N 1 1 370.384 3.389 20 30 FGEDMO CC[N@@H+](Cc1cccc(S(=O)(=O)N(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621453 503002367 /nfs/dbraw/zinc/00/23/67/503002367.db2.gz VECURDIDWLJPFZ-INIZCTEOSA-N 1 1 371.506 3.392 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC000506036532 503033417 /nfs/dbraw/zinc/03/34/17/503033417.db2.gz NHXDAGKUFKPVNJ-UZLBHIALSA-N 1 1 366.461 3.349 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000593036790 506352281 /nfs/dbraw/zinc/35/22/81/506352281.db2.gz UIRUBYXYKWWYMV-HNNXBMFYSA-N 1 1 369.490 3.192 20 30 FGEDMO CCCc1nc(C)c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000498221760 503133738 /nfs/dbraw/zinc/13/37/38/503133738.db2.gz LBWZFZFQAOFALF-UHFFFAOYSA-N 1 1 366.465 3.224 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490246460 503141010 /nfs/dbraw/zinc/14/10/10/503141010.db2.gz MJIFVUVBVSCEMX-AEFFLSMTSA-N 1 1 358.392 3.118 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000490246460 503141012 /nfs/dbraw/zinc/14/10/12/503141012.db2.gz MJIFVUVBVSCEMX-AEFFLSMTSA-N 1 1 358.392 3.118 20 30 FGEDMO CC1(C)C[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)c2ccc(F)cc2O1 ZINC000582666047 506355563 /nfs/dbraw/zinc/35/55/63/506355563.db2.gz IERZKIRJTGQLGJ-MRXNPFEDSA-N 1 1 351.385 3.132 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000506913330 503193740 /nfs/dbraw/zinc/19/37/40/503193740.db2.gz DSGUGKNXFLGTDD-PZJWPPBQSA-N 1 1 353.510 3.334 20 30 FGEDMO C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490809857 503230550 /nfs/dbraw/zinc/23/05/50/503230550.db2.gz FOGGGBFFOLDEMW-RHSMWYFYSA-N 1 1 368.868 3.247 20 30 FGEDMO Cn1cc(C[N@@H+]2CCOC[C@@H]2Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000491143326 503279087 /nfs/dbraw/zinc/27/90/87/503279087.db2.gz XJBFCURFSGZDOH-QFIPXVFZSA-N 1 1 372.472 3.402 20 30 FGEDMO Cn1cc(C[N@H+]2CCOC[C@@H]2Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000491143326 503279090 /nfs/dbraw/zinc/27/90/90/503279090.db2.gz XJBFCURFSGZDOH-QFIPXVFZSA-N 1 1 372.472 3.402 20 30 FGEDMO N#Cc1cn(Cc2[nH+]ccn2CC(F)(F)F)c2ccc(Cl)cc2c1=O ZINC000502835961 503284616 /nfs/dbraw/zinc/28/46/16/503284616.db2.gz KQRRZRISFWHBBX-UHFFFAOYSA-N 1 1 366.730 3.334 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000498972645 503307280 /nfs/dbraw/zinc/30/72/80/503307280.db2.gz ABVVQUXIZQVORB-INMHGKMJSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000498972645 503307283 /nfs/dbraw/zinc/30/72/83/503307283.db2.gz ABVVQUXIZQVORB-INMHGKMJSA-N 1 1 361.511 3.112 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCCn1ccnc1C ZINC000503076402 503340989 /nfs/dbraw/zinc/34/09/89/503340989.db2.gz UGZQPHRREJHSQK-INIZCTEOSA-N 1 1 360.527 3.178 20 30 FGEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000515461029 503342983 /nfs/dbraw/zinc/34/29/83/503342983.db2.gz BOHWKJPTVQEVNN-NRFANRHFSA-N 1 1 354.425 3.003 20 30 FGEDMO N#Cc1csc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000492330857 503364725 /nfs/dbraw/zinc/36/47/25/503364725.db2.gz BOZHDWUAWMWZNG-AWEZNQCLSA-N 1 1 355.232 3.345 20 30 FGEDMO COc1ccc(C#N)cc1C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503271592 503381535 /nfs/dbraw/zinc/38/15/35/503381535.db2.gz VWHTZAWCSWUYKA-HXUWFJFHSA-N 1 1 359.429 3.260 20 30 FGEDMO C=CCN1CC[C@H](NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1=O ZINC000493644202 503436605 /nfs/dbraw/zinc/43/66/05/503436605.db2.gz SEHDPEMOHDBWBV-OPYAIIAOSA-N 1 1 355.526 3.041 20 30 FGEDMO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1noc(Cc2ccccc2)n1 ZINC000499623791 503445750 /nfs/dbraw/zinc/44/57/50/503445750.db2.gz FEVUFANKHXXYCN-MRXNPFEDSA-N 1 1 354.454 3.412 20 30 FGEDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000512067654 503449008 /nfs/dbraw/zinc/44/90/08/503449008.db2.gz MXLREOXRKRJBCB-SFHVURJKSA-N 1 1 373.497 3.211 20 30 FGEDMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493919766 503458902 /nfs/dbraw/zinc/45/89/02/503458902.db2.gz JNETUSHRDKAHPP-YVEFUNNKSA-N 1 1 361.804 3.367 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)o2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493919766 503458904 /nfs/dbraw/zinc/45/89/04/503458904.db2.gz JNETUSHRDKAHPP-YVEFUNNKSA-N 1 1 361.804 3.367 20 30 FGEDMO C[C@@H]1CCCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000512197378 503482958 /nfs/dbraw/zinc/48/29/58/503482958.db2.gz PQQVSLIUMQNVQQ-OAHLLOKOSA-N 1 1 352.400 3.438 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000508377723 503485185 /nfs/dbraw/zinc/48/51/85/503485185.db2.gz USLNWWILDCEVHC-UXHICEINSA-N 1 1 354.498 3.353 20 30 FGEDMO C=CCn1c(C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508491028 503504258 /nfs/dbraw/zinc/50/42/58/503504258.db2.gz SHSGNNLVENKPJP-PMACEKPBSA-N 1 1 351.498 3.263 20 30 FGEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](C)C2)c1C#N ZINC000508621539 503530711 /nfs/dbraw/zinc/53/07/11/503530711.db2.gz MGSQRCVKJVGMNF-CQSZACIVSA-N 1 1 368.456 3.444 20 30 FGEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1C#N ZINC000508621539 503530713 /nfs/dbraw/zinc/53/07/13/503530713.db2.gz MGSQRCVKJVGMNF-CQSZACIVSA-N 1 1 368.456 3.444 20 30 FGEDMO CC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(OC)cc1OC ZINC000508644440 503536370 /nfs/dbraw/zinc/53/63/70/503536370.db2.gz CVYZETAUJDFAIY-UHFFFAOYSA-N 1 1 350.422 3.245 20 30 FGEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(OC)cc1OC ZINC000508644440 503536374 /nfs/dbraw/zinc/53/63/74/503536374.db2.gz CVYZETAUJDFAIY-UHFFFAOYSA-N 1 1 350.422 3.245 20 30 FGEDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000508643338 503536408 /nfs/dbraw/zinc/53/64/08/503536408.db2.gz HFWRXLIIQJYDIG-GOSISDBHSA-N 1 1 350.418 3.132 20 30 FGEDMO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000516623837 503552801 /nfs/dbraw/zinc/55/28/01/503552801.db2.gz VUOTVIKGRHKRSI-UHFFFAOYSA-N 1 1 364.497 3.313 20 30 FGEDMO COc1cccc(C2(F)CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000500136796 503562323 /nfs/dbraw/zinc/56/23/23/503562323.db2.gz GTIHCQHAXBHPEK-UHFFFAOYSA-N 1 1 367.424 3.466 20 30 FGEDMO CC[N@@H+](CCNC(=O)N[C@@H](C)c1ccc(C#N)cc1)CCC(F)(F)F ZINC000494575394 503567005 /nfs/dbraw/zinc/56/70/05/503567005.db2.gz ROERHMAMROTLMK-ZDUSSCGKSA-N 1 1 356.392 3.193 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000500161117 503568062 /nfs/dbraw/zinc/56/80/62/503568062.db2.gz GRELMHIHWNBROI-UHFFFAOYSA-N 1 1 371.525 3.088 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1C ZINC000494702187 503595470 /nfs/dbraw/zinc/59/54/70/503595470.db2.gz HJURVOZBGGCCNB-HXUWFJFHSA-N 1 1 369.509 3.441 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1C ZINC000494702187 503595472 /nfs/dbraw/zinc/59/54/72/503595472.db2.gz HJURVOZBGGCCNB-HXUWFJFHSA-N 1 1 369.509 3.441 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(Cl)ccn3)CC2)cc1 ZINC000500473229 503631671 /nfs/dbraw/zinc/63/16/71/503631671.db2.gz WGMICNYRWVVHHU-UHFFFAOYSA-N 1 1 369.856 3.346 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(Cl)ccn3)CC2)cc1 ZINC000500473229 503631672 /nfs/dbraw/zinc/63/16/72/503631672.db2.gz WGMICNYRWVVHHU-UHFFFAOYSA-N 1 1 369.856 3.346 20 30 FGEDMO 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N#CC[C@@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000599978318 506733502 /nfs/dbraw/zinc/73/35/02/506733502.db2.gz KRXRASIGDIHGIF-LRGNLBRXSA-N 1 1 351.494 3.343 20 30 FGEDMO COc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609046735 506767359 /nfs/dbraw/zinc/76/73/59/506767359.db2.gz VJKKUBIKJPTEFQ-WIYYLYMNSA-N 1 1 366.461 3.338 20 30 FGEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000600106160 506778507 /nfs/dbraw/zinc/77/85/07/506778507.db2.gz BHZIIYIRIASUHS-UHFFFAOYSA-N 1 1 369.490 3.018 20 30 FGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC000597106499 506778682 /nfs/dbraw/zinc/77/86/82/506778682.db2.gz WLXRWGSXPMLRGQ-UHFFFAOYSA-N 1 1 369.509 3.067 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2C2CC2)c1C#N ZINC000609133521 506786704 /nfs/dbraw/zinc/78/67/04/506786704.db2.gz DMKFSZXSMSGMSC-LJQANCHMSA-N 1 1 366.465 3.431 20 30 FGEDMO COCCN(CCC#N)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000609136931 506787790 /nfs/dbraw/zinc/78/77/90/506787790.db2.gz RNJTUTHCCVOUSG-UHFFFAOYSA-N 1 1 365.477 3.321 20 30 FGEDMO COc1ccc2c(c1)CCC[N@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000609133923 506788232 /nfs/dbraw/zinc/78/82/32/506788232.db2.gz LQFMXSIMZGVLRR-INIZCTEOSA-N 1 1 355.482 3.175 20 30 FGEDMO COc1ccc2c(c1)CCC[N@@H+]([C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000609133923 506788237 /nfs/dbraw/zinc/78/82/37/506788237.db2.gz LQFMXSIMZGVLRR-INIZCTEOSA-N 1 1 355.482 3.175 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCCO[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000609234004 506822198 /nfs/dbraw/zinc/82/21/98/506822198.db2.gz OFFJRURRYKHSME-SFTDATJTSA-N 1 1 361.445 3.127 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCCO[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000609234004 506822202 /nfs/dbraw/zinc/82/22/02/506822202.db2.gz OFFJRURRYKHSME-SFTDATJTSA-N 1 1 361.445 3.127 20 30 FGEDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)N4CCCC(C)(C)[C@H]4C#N)cc3c2C1 ZINC000590449108 506826682 /nfs/dbraw/zinc/82/66/82/506826682.db2.gz QYXCFQHTXUIEGD-LJQANCHMSA-N 1 1 350.466 3.310 20 30 FGEDMO C[N@H+]1CCc2[nH]c3ccc(C(=O)N4CCCC(C)(C)[C@H]4C#N)cc3c2C1 ZINC000590449108 506826684 /nfs/dbraw/zinc/82/66/84/506826684.db2.gz QYXCFQHTXUIEGD-LJQANCHMSA-N 1 1 350.466 3.310 20 30 FGEDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000597197820 506831279 /nfs/dbraw/zinc/83/12/79/506831279.db2.gz ZEWLNCGPKIWIMW-OYRHEFFESA-N 1 1 350.466 3.322 20 30 FGEDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000604458161 506837618 /nfs/dbraw/zinc/83/76/18/506837618.db2.gz DJSCGNAJZVGZSJ-HNNXBMFYSA-N 1 1 360.417 3.136 20 30 FGEDMO Cc1cc(C)n(-c2ccc(-c3noc([C@@H]([NH3+])CCCCC#N)n3)cn2)n1 ZINC000593944198 506839797 /nfs/dbraw/zinc/83/97/97/506839797.db2.gz UDBVBLQZRFAFPE-HNNXBMFYSA-N 1 1 351.414 3.018 20 30 FGEDMO C[N@H+]1CCC[C@H](NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000609307929 506844944 /nfs/dbraw/zinc/84/49/44/506844944.db2.gz SZPJOCVPEKSCSD-HNNXBMFYSA-N 1 1 353.397 3.314 20 30 FGEDMO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCc3c(CC#N)cccc3C2)c1C 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373.460 3.426 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000590750949 506938172 /nfs/dbraw/zinc/93/81/72/506938172.db2.gz MDPJXSQYBUGGBG-NXHRZFHOSA-N 1 1 361.873 3.166 20 30 FGEDMO COc1ccccc1[C@@H](CNC(=O)Nc1scc(C)c1C#N)[NH+](C)C ZINC000594110538 506945779 /nfs/dbraw/zinc/94/57/79/506945779.db2.gz XRKSAPKLAHBVPB-OAHLLOKOSA-N 1 1 358.467 3.361 20 30 FGEDMO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000590780525 506951825 /nfs/dbraw/zinc/95/18/25/506951825.db2.gz NRCZPSSAPLRLII-UHFFFAOYSA-N 1 1 352.486 3.147 20 30 FGEDMO C[N@@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609672014 506968938 /nfs/dbraw/zinc/96/89/38/506968938.db2.gz MMMFSVWXIZNFSP-HBMCJLEFSA-N 1 1 363.461 3.184 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(-c2ccncc2)n1 ZINC000583813325 506988616 /nfs/dbraw/zinc/98/86/16/506988616.db2.gz KTQLNMQEVPESOQ-IBGZPJMESA-N 1 1 358.449 3.243 20 30 FGEDMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594217115 507016761 /nfs/dbraw/zinc/01/67/61/507016761.db2.gz PMADQXLQNOFEFO-IBGZPJMESA-N 1 1 361.489 3.390 20 30 FGEDMO N#Cc1ccc2c(c1)CN(C(=O)NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000594239521 507035626 /nfs/dbraw/zinc/03/56/26/507035626.db2.gz JBKNXHDJGUJXET-LJQANCHMSA-N 1 1 360.461 3.106 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000609926370 507051483 /nfs/dbraw/zinc/05/14/83/507051483.db2.gz DHFSJSQUVPGFER-FPOVZHCZSA-N 1 1 368.452 3.196 20 30 FGEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594281575 507059879 /nfs/dbraw/zinc/05/98/79/507059879.db2.gz DLOAWDFXQUBLLT-PMACEKPBSA-N 1 1 354.498 3.497 20 30 FGEDMO Cc1nc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)ccc1C#N ZINC000609976089 507059928 /nfs/dbraw/zinc/05/99/28/507059928.db2.gz VZIODQNLGYEVMG-GASCZTMLSA-N 1 1 364.449 3.123 20 30 FGEDMO Cc1nc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)ccc1C#N ZINC000609976089 507059935 /nfs/dbraw/zinc/05/99/35/507059935.db2.gz VZIODQNLGYEVMG-GASCZTMLSA-N 1 1 364.449 3.123 20 30 FGEDMO N#Cc1ccc(C2(NC(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)CCC2)cc1 ZINC000594284025 507063062 /nfs/dbraw/zinc/06/30/62/507063062.db2.gz PYFGLLJQTVJIEI-RBUKOAKNSA-N 1 1 352.482 3.254 20 30 FGEDMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1Cl ZINC000591053749 507093925 /nfs/dbraw/zinc/09/39/25/507093925.db2.gz KLUSRUZNLCHMMA-QGZVFWFLSA-N 1 1 374.868 3.286 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000594374029 507098890 /nfs/dbraw/zinc/09/88/90/507098890.db2.gz LNFUDBRQKFKJKS-YHYVQYDKSA-N 1 1 361.489 3.198 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000610132769 507109953 /nfs/dbraw/zinc/10/99/53/507109953.db2.gz CHZDPXVVNJDMQO-KDURUIRLSA-N 1 1 363.461 3.014 20 30 FGEDMO CC(C)[C@H](C#N)N1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000610133180 507111583 /nfs/dbraw/zinc/11/15/83/507111583.db2.gz JFRZKGIFTCWTDW-KRWDZBQOSA-N 1 1 373.888 3.098 20 30 FGEDMO CC(=O)N1CC[NH+](Cc2cccc(-c3cc4ccccc4nc3C#N)c2)CC1 ZINC000600793213 507123711 /nfs/dbraw/zinc/12/37/11/507123711.db2.gz JUFBRXRGHNCKON-UHFFFAOYSA-N 1 1 370.456 3.438 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1C#N ZINC000594420398 507124518 /nfs/dbraw/zinc/12/45/18/507124518.db2.gz STUCEJYPUYPBLS-WMZOPIPTSA-N 1 1 370.522 3.299 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000597854427 507136016 /nfs/dbraw/zinc/13/60/16/507136016.db2.gz HQEGOMGGOZIAFP-QFBILLFUSA-N 1 1 357.498 3.198 20 30 FGEDMO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000594441223 507136050 /nfs/dbraw/zinc/13/60/50/507136050.db2.gz OYXMBOOJLGRSTI-YLJYHZDGSA-N 1 1 361.449 3.180 20 30 FGEDMO CC1CCN([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c2cccs2)CC1 ZINC000594446837 507137678 /nfs/dbraw/zinc/13/76/78/507137678.db2.gz XSTMSLHMEVTCHO-DLBZAZTESA-N 1 1 362.543 3.049 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000600897057 507166465 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C#Cc1cnc(NC2CC[NH+](Cc3cccc(Br)c3)CC2)nc1 ZINC000840392264 730141921 /nfs/dbraw/zinc/14/19/21/730141921.db2.gz UYSQYYAIDMMRNE-UHFFFAOYSA-N 1 1 371.282 3.297 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)n1C ZINC000840718129 730165473 /nfs/dbraw/zinc/16/54/73/730165473.db2.gz LTXPRJOORUKOJP-TWGQIWQCSA-N 1 1 353.344 3.323 20 30 FGEDMO FC(F)(F)CNC(=S)NN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841622637 730260431 /nfs/dbraw/zinc/26/04/31/730260431.db2.gz ZMYVISLNCBKMMH-OAHLLOKOSA-N 1 1 370.444 3.368 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365668 730707884 /nfs/dbraw/zinc/70/78/84/730707884.db2.gz CVCZNLOAVVXXEP-UGSOOPFHSA-N 1 1 357.841 3.204 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365668 730707886 /nfs/dbraw/zinc/70/78/86/730707886.db2.gz CVCZNLOAVVXXEP-UGSOOPFHSA-N 1 1 357.841 3.204 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365260 730707890 /nfs/dbraw/zinc/70/78/90/730707890.db2.gz CYGBMJPTKDFAST-SCLBCKFNSA-N 1 1 357.841 3.204 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365260 730707891 /nfs/dbraw/zinc/70/78/91/730707891.db2.gz CYGBMJPTKDFAST-SCLBCKFNSA-N 1 1 357.841 3.204 20 30 FGEDMO C=C[C@H](C)ONC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000845633288 730873401 /nfs/dbraw/zinc/87/34/01/730873401.db2.gz OPJVLVBMDCTWMX-SWLSCSKDSA-N 1 1 357.376 3.085 20 30 FGEDMO CCO[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000846052521 730923965 /nfs/dbraw/zinc/92/39/65/730923965.db2.gz HMPWFJTZNWVCQI-HZPDHXFCSA-N 1 1 353.507 3.178 20 30 FGEDMO C=CC[C@H]1CCC[N@H+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852412083 731581081 /nfs/dbraw/zinc/58/10/81/731581081.db2.gz YSMBHPFILMXBLB-PXNSSMCTSA-N 1 1 352.519 3.427 20 30 FGEDMO CC[N@H+](C)Cc1cc(O[C@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553252 732037890 /nfs/dbraw/zinc/03/78/90/732037890.db2.gz LLVDYVNGYYUTTK-SFHVURJKSA-N 1 1 356.495 3.120 20 30 FGEDMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553252 732037894 /nfs/dbraw/zinc/03/78/94/732037894.db2.gz LLVDYVNGYYUTTK-SFHVURJKSA-N 1 1 356.495 3.120 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000858209065 732192545 /nfs/dbraw/zinc/19/25/45/732192545.db2.gz ASBZLLQPIQNPMX-HNNXBMFYSA-N 1 1 357.763 3.442 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000859137961 732282152 /nfs/dbraw/zinc/28/21/52/732282152.db2.gz AKJRIIMAWCSGFT-MAUKXSAKSA-N 1 1 350.409 3.173 20 30 FGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000859444135 732329710 /nfs/dbraw/zinc/32/97/10/732329710.db2.gz DUBUKZANFOLZHC-CYBMUJFWSA-N 1 1 350.463 3.227 20 30 FGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)C1 ZINC000859444135 732329716 /nfs/dbraw/zinc/32/97/16/732329716.db2.gz DUBUKZANFOLZHC-CYBMUJFWSA-N 1 1 350.463 3.227 20 30 FGEDMO C#C[C@H](CC)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000860663714 732550848 /nfs/dbraw/zinc/55/08/48/732550848.db2.gz SWOMGCYICCETOY-KZNAEPCWSA-N 1 1 354.475 3.314 20 30 FGEDMO Cn1ccnc1N=NC1CC[N@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863109314 732915634 /nfs/dbraw/zinc/91/56/34/732915634.db2.gz JQYLVOFOBXFYKN-OAHLLOKOSA-N 1 1 362.275 3.417 20 30 FGEDMO Cn1ccnc1N=NC1CC[N@@H+](C)[C@@H](c2ccc(Br)cc2)C1 ZINC000863109314 732915637 /nfs/dbraw/zinc/91/56/37/732915637.db2.gz JQYLVOFOBXFYKN-OAHLLOKOSA-N 1 1 362.275 3.417 20 30 FGEDMO COc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)c(C#N)c3)CC[NH2+]2)cc1 ZINC000870141807 733815839 /nfs/dbraw/zinc/81/58/39/733815839.db2.gz CPCVNIYLBIHRJG-SFHVURJKSA-N 1 1 355.825 3.007 20 30 FGEDMO CSc1nnc(SC)n1[NH+]=C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000872417724 735627289 /nfs/dbraw/zinc/62/72/89/735627289.db2.gz LRFDDZWQGBDJPP-LLVKDONJSA-N 1 1 373.548 3.495 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c(-c2ccncc2)n1 ZINC000877740514 736712374 /nfs/dbraw/zinc/71/23/74/736712374.db2.gz VWFYGGBFUHTGAG-FUHWJXTLSA-N 1 1 353.495 3.044 20 30 FGEDMO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@@H+](CCOCCC#N)C1 ZINC000879655186 737024159 /nfs/dbraw/zinc/02/41/59/737024159.db2.gz VFMLOEYQOJQRCQ-LJQANCHMSA-N 1 1 353.507 3.180 20 30 FGEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)n1 ZINC000880011945 737100637 /nfs/dbraw/zinc/10/06/37/737100637.db2.gz VHNNJHOHLHAAJN-OAHLLOKOSA-N 1 1 351.435 3.363 20 30 FGEDMO C[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC000880217780 737138009 /nfs/dbraw/zinc/13/80/09/737138009.db2.gz BZYOPXWQMJLVOF-HNAYVOBHSA-N 1 1 351.491 3.027 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC000880217780 737138011 /nfs/dbraw/zinc/13/80/11/737138011.db2.gz BZYOPXWQMJLVOF-HNAYVOBHSA-N 1 1 351.491 3.027 20 30 FGEDMO OC[C@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000886805451 739303783 /nfs/dbraw/zinc/30/37/83/739303783.db2.gz FGYKUZZCLCSWTC-AWEZNQCLSA-N 1 1 367.289 3.183 20 30 FGEDMO OC[C@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000886805451 739303787 /nfs/dbraw/zinc/30/37/87/739303787.db2.gz FGYKUZZCLCSWTC-AWEZNQCLSA-N 1 1 367.289 3.183 20 30 FGEDMO C[C@@H](NC(=O)Nc1nc(Cl)c(C#N)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000888417918 739520061 /nfs/dbraw/zinc/52/00/61/739520061.db2.gz RWTWMLPXKZHKEG-MNOVXSKESA-N 1 1 367.906 3.443 20 30 FGEDMO N#Cc1cc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000895152023 742382373 /nfs/dbraw/zinc/38/23/73/742382373.db2.gz KXONCBSSPNXXKY-WOJBJXKFSA-N 1 1 353.491 3.095 20 30 FGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)n1 ZINC000897032878 742634021 /nfs/dbraw/zinc/63/40/21/742634021.db2.gz GASPQNPCQPKDDC-GOSISDBHSA-N 1 1 372.266 3.199 20 30 FGEDMO COC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897055133 742637053 /nfs/dbraw/zinc/63/70/53/742637053.db2.gz OPDVCUHUVODTPN-XHNCKOQMSA-N 1 1 355.269 3.372 20 30 FGEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cc1 ZINC000898023285 742735192 /nfs/dbraw/zinc/73/51/92/742735192.db2.gz URNGMWNRNFDOPW-UHFFFAOYSA-N 1 1 351.376 3.079 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccsc2)CC1(C)C ZINC000940753912 762159391 /nfs/dbraw/zinc/15/93/91/762159391.db2.gz QJQKIKDTPIFNIQ-FGTMMUONSA-N 1 1 362.539 3.446 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000950597770 762443675 /nfs/dbraw/zinc/44/36/75/762443675.db2.gz WUKQLDJWYZAYPD-MOPGFXCFSA-N 1 1 362.901 3.008 20 30 FGEDMO C=CC[N@H+](CC(=O)Nc1ccccc1I)C(C)C ZINC000917166806 758186248 /nfs/dbraw/zinc/18/62/48/758186248.db2.gz IDAMFUSMIIOYLA-UHFFFAOYSA-N 1 1 358.223 3.126 20 30 FGEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1I)C(C)C ZINC000917166806 758186256 /nfs/dbraw/zinc/18/62/56/758186256.db2.gz IDAMFUSMIIOYLA-UHFFFAOYSA-N 1 1 358.223 3.126 20 30 FGEDMO C#CCNC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000917155415 758185530 /nfs/dbraw/zinc/18/55/30/758185530.db2.gz WOJUPMVEHCJKTE-UHFFFAOYSA-N 1 1 371.278 3.201 20 30 FGEDMO C#CCNC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000917155415 758185536 /nfs/dbraw/zinc/18/55/36/758185536.db2.gz WOJUPMVEHCJKTE-UHFFFAOYSA-N 1 1 371.278 3.201 20 30 FGEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)[C@@H](O)C(F)(F)F ZINC000921952149 758826609 /nfs/dbraw/zinc/82/66/09/758826609.db2.gz NJMFDUWWXXCUTL-VXGBXAGGSA-N 1 1 351.166 3.112 20 30 FGEDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2csc(C#N)c2)cc1C(F)(F)F ZINC000922067876 758844611 /nfs/dbraw/zinc/84/46/11/758844611.db2.gz DGWORFLBJQBODU-UHFFFAOYSA-N 1 1 374.409 3.332 20 30 FGEDMO C#CC[NH+]1CCC(NC(=O)CCC(=O)c2cc(Cl)sc2Cl)CC1 ZINC000928656479 760226798 /nfs/dbraw/zinc/22/67/98/760226798.db2.gz WFTGGCSZDNJIDE-UHFFFAOYSA-N 1 1 373.305 3.232 20 30 FGEDMO CC[N@H+](CCC#N)C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000929774955 760454630 /nfs/dbraw/zinc/45/46/30/760454630.db2.gz GQUUTDNONLDQPH-MRXNPFEDSA-N 1 1 351.491 3.028 20 30 FGEDMO CC[N@@H+](CCC#N)C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000929774955 760454635 /nfs/dbraw/zinc/45/46/35/760454635.db2.gz GQUUTDNONLDQPH-MRXNPFEDSA-N 1 1 351.491 3.028 20 30 FGEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)C2(C#N)CCSCC2)CC1 ZINC000930178866 760546073 /nfs/dbraw/zinc/54/60/73/760546073.db2.gz IEWUCJBHAQMCGW-UHFFFAOYSA-N 1 1 357.523 3.066 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932199455 761082549 /nfs/dbraw/zinc/08/25/49/761082549.db2.gz RDAJIJBCYIDQBA-ZDUSSCGKSA-N 1 1 360.508 3.360 20 30 FGEDMO Cn1nccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000932266698 761113597 /nfs/dbraw/zinc/11/35/97/761113597.db2.gz UBEGMAFBDKTVQZ-QGZVFWFLSA-N 1 1 357.845 3.111 20 30 FGEDMO Cc1csc(C[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000933129818 761325163 /nfs/dbraw/zinc/32/51/63/761325163.db2.gz VSACJKVMMSSUKW-HUUCEWRRSA-N 1 1 354.479 3.215 20 30 FGEDMO Cc1csc(C[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)n1 ZINC000933129818 761325172 /nfs/dbraw/zinc/32/51/72/761325172.db2.gz VSACJKVMMSSUKW-HUUCEWRRSA-N 1 1 354.479 3.215 20 30 FGEDMO 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209182247 /nfs/dbraw/zinc/18/22/47/209182247.db2.gz ONHGNOVDUILOHP-GFCCVEGCSA-N 1 1 358.442 3.327 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000029983602 208000183 /nfs/dbraw/zinc/00/01/83/208000183.db2.gz XOHVTZFBIJXTKF-UHFFFAOYSA-N 1 1 370.456 3.455 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000029983602 208000186 /nfs/dbraw/zinc/00/01/86/208000186.db2.gz XOHVTZFBIJXTKF-UHFFFAOYSA-N 1 1 370.456 3.455 20 30 FGEDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1OC ZINC000183489920 257366823 /nfs/dbraw/zinc/36/68/23/257366823.db2.gz FMYZEGKNZQVXQY-SNVBAGLBSA-N 1 1 363.414 3.065 20 30 FGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)CC[C@H]21 ZINC000576688405 505570931 /nfs/dbraw/zinc/57/09/31/505570931.db2.gz ZPPDSGJSHPAHFK-MISYRCLQSA-N 1 1 352.482 3.061 20 30 FGEDMO COC(=O)c1ccc(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c(C#N)n1 ZINC000570827368 505590072 /nfs/dbraw/zinc/59/00/72/505590072.db2.gz RNAKNPZMHLRFQM-OAQYLSRUSA-N 1 1 364.449 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CC[N@@H+](C)[C@@H](C(=O)N(CCOC)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000068263400 493787225 /nfs/dbraw/zinc/78/72/25/493787225.db2.gz AJVAUJYRZHBWIC-OAQYLSRUSA-N 1 1 365.477 3.226 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000075891317 493791790 /nfs/dbraw/zinc/79/17/90/493791790.db2.gz TVQXNZPRVFICNG-IYBDPMFKSA-N 1 1 361.511 3.158 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000075891317 493791794 /nfs/dbraw/zinc/79/17/94/493791794.db2.gz TVQXNZPRVFICNG-IYBDPMFKSA-N 1 1 361.511 3.158 20 30 FGEDMO Cc1sc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c(C#N)c1C ZINC000068316359 493796264 /nfs/dbraw/zinc/79/62/64/493796264.db2.gz ZZNRZGRDDKINTH-SFHVURJKSA-N 1 1 368.506 3.164 20 30 FGEDMO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCC(C#N)CC1 ZINC000057877522 493811365 /nfs/dbraw/zinc/81/13/65/493811365.db2.gz SBUUTZLMAQYHJE-ZDUSSCGKSA-N 1 1 364.287 3.032 20 30 FGEDMO CCCN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081079778 493826124 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C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000068855545 493884684 /nfs/dbraw/zinc/88/46/84/493884684.db2.gz RHXAEKHOZDJKDZ-OAQYLSRUSA-N 1 1 361.445 3.052 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COCc1ccccc1F ZINC000068855511 493884720 /nfs/dbraw/zinc/88/47/20/493884720.db2.gz DCFZRVFJMNTUSV-HXUWFJFHSA-N 1 1 354.425 3.263 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[NH+](C)C ZINC000049789746 493884715 /nfs/dbraw/zinc/88/47/15/493884715.db2.gz ZNXWRMUCUAOOTO-IBGZPJMESA-N 1 1 366.465 3.011 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000068884395 493888766 /nfs/dbraw/zinc/88/87/66/493888766.db2.gz GXZNXRDOSCRJND-SJORKVTESA-N 1 1 374.485 3.413 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccccc1Cl ZINC000050024085 493892034 /nfs/dbraw/zinc/89/20/34/493892034.db2.gz QDRPCLSEDKNOQN-GOSISDBHSA-N 1 1 356.857 3.043 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1C#N ZINC000069008880 493907689 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20 30 FGEDMO Cn1cc(C#N)cc1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000081665120 493940800 /nfs/dbraw/zinc/94/08/00/493940800.db2.gz ASUITPPMOAMBOB-GOSISDBHSA-N 1 1 356.857 3.117 20 30 FGEDMO N#Cc1cccc(COc2cccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)c2)c1 ZINC000051187551 493952830 /nfs/dbraw/zinc/95/28/30/493952830.db2.gz BDWIPONEKMODRT-JOCHJYFZSA-N 1 1 371.440 3.453 20 30 FGEDMO C=CCCC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000076734153 493962101 /nfs/dbraw/zinc/96/21/01/493962101.db2.gz PHYHXARVMDVIIY-SFHVURJKSA-N 1 1 358.482 3.409 20 30 FGEDMO C=CCCCN(C)C(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000076974419 494001218 /nfs/dbraw/zinc/00/12/18/494001218.db2.gz GPMJLTZJUWOZPA-UHFFFAOYSA-N 1 1 350.532 3.271 20 30 FGEDMO C[C@H](OCCCNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000052580732 494042919 /nfs/dbraw/zinc/04/29/19/494042919.db2.gz PCKTVJWXZINTHF-SFHVURJKSA-N 1 1 365.477 3.274 20 30 FGEDMO C[C@H](OCCCNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000052580732 494042925 /nfs/dbraw/zinc/04/29/25/494042925.db2.gz PCKTVJWXZINTHF-SFHVURJKSA-N 1 1 365.477 3.274 20 30 FGEDMO CCc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052800953 494062136 /nfs/dbraw/zinc/06/21/36/494062136.db2.gz BGYXWPYZRMCOPS-UHFFFAOYSA-N 1 1 362.477 3.271 20 30 FGEDMO CCc1ccc(NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000052800953 494062140 /nfs/dbraw/zinc/06/21/40/494062140.db2.gz BGYXWPYZRMCOPS-UHFFFAOYSA-N 1 1 362.477 3.271 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1cccc2nsnc21)Cc1ccc(C#N)cc1 ZINC000052825634 494065984 /nfs/dbraw/zinc/06/59/84/494065984.db2.gz QTGCNCHIPIKRLS-UHFFFAOYSA-N 1 1 365.462 3.414 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1cccc2nsnc21)Cc1ccc(C#N)cc1 ZINC000052825634 494065986 /nfs/dbraw/zinc/06/59/86/494065986.db2.gz QTGCNCHIPIKRLS-UHFFFAOYSA-N 1 1 365.462 3.414 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000052823645 494066247 /nfs/dbraw/zinc/06/62/47/494066247.db2.gz CMYILBPOIYBEIW-OAQYLSRUSA-N 1 1 368.456 3.451 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000052823645 494066250 /nfs/dbraw/zinc/06/62/50/494066250.db2.gz CMYILBPOIYBEIW-OAQYLSRUSA-N 1 1 368.456 3.451 20 30 FGEDMO Cc1nc(SCC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c(C#N)c(C)c1C ZINC000063694323 494077365 /nfs/dbraw/zinc/07/73/65/494077365.db2.gz PNIHJPDOEGSJHQ-QGZVFWFLSA-N 1 1 374.554 3.207 20 30 FGEDMO COC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751048 494082845 /nfs/dbraw/zinc/08/28/45/494082845.db2.gz BCWGWHHKZHRKFO-UHFFFAOYSA-N 1 1 365.433 3.194 20 30 FGEDMO COC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751048 494082849 /nfs/dbraw/zinc/08/28/49/494082849.db2.gz BCWGWHHKZHRKFO-UHFFFAOYSA-N 1 1 365.433 3.194 20 30 FGEDMO N#Cc1ccc(F)c(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000053049732 494088065 /nfs/dbraw/zinc/08/80/65/494088065.db2.gz LQEJCXMQZIRWTK-UHFFFAOYSA-N 1 1 369.415 3.365 20 30 FGEDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC3)c2c1 ZINC000053073554 494089477 /nfs/dbraw/zinc/08/94/77/494089477.db2.gz MDCHNDWMXLBQNW-OAHLLOKOSA-N 1 1 366.465 3.026 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1cccc(C#N)c1 ZINC000077546895 494111447 /nfs/dbraw/zinc/11/14/47/494111447.db2.gz UNCIKJHRRBXPRV-SFHVURJKSA-N 1 1 362.477 3.364 20 30 FGEDMO C=CCOc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1OC ZINC000053349103 494119664 /nfs/dbraw/zinc/11/96/64/494119664.db2.gz QQFOSHBZNZRSIG-UHFFFAOYSA-N 1 1 354.450 3.122 20 30 FGEDMO CCOC(=O)CC(C)(C)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000580204890 505703138 /nfs/dbraw/zinc/70/31/38/505703138.db2.gz IYUDDHPIADXOLU-UHFFFAOYSA-N 1 1 371.525 3.435 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000053681242 494158522 /nfs/dbraw/zinc/15/85/22/494158522.db2.gz CMPVAYMHROUREZ-BEFAXECRSA-N 1 1 365.905 3.484 20 30 FGEDMO COc1c(Br)cc(C[NH2+]C[C@@H](C)C#N)cc1Br ZINC000054181095 494203990 /nfs/dbraw/zinc/20/39/90/494203990.db2.gz RVQKQYDGOSZTJB-QMMMGPOBSA-N 1 1 362.065 3.469 20 30 FGEDMO Cc1cccnc1NC(=O)C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000054207227 494206507 /nfs/dbraw/zinc/20/65/07/494206507.db2.gz VRBIZCVRZGXJEO-UHFFFAOYSA-N 1 1 352.413 3.252 20 30 FGEDMO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000571332051 505708097 /nfs/dbraw/zinc/70/80/97/505708097.db2.gz UJZVUMVXSGUGHU-SCLBCKFNSA-N 1 1 353.378 3.106 20 30 FGEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(Br)cc2C#N)C1 ZINC000580228775 505708065 /nfs/dbraw/zinc/70/80/65/505708065.db2.gz LEAPNSYTXFBFQE-CQSZACIVSA-N 1 1 350.304 3.484 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000042564135 494226522 /nfs/dbraw/zinc/22/65/22/494226522.db2.gz QNJSJSJJTBQBAX-MSOLQXFVSA-N 1 1 357.498 3.150 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000042657408 494235208 /nfs/dbraw/zinc/23/52/08/494235208.db2.gz INUWQELBKOKTIX-IIBYNOLFSA-N 1 1 363.461 3.331 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000054454787 494237781 /nfs/dbraw/zinc/23/77/81/494237781.db2.gz NYKHZRHYXOXUDF-UHFFFAOYSA-N 1 1 373.460 3.316 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000042978966 494255103 /nfs/dbraw/zinc/25/51/03/494255103.db2.gz QZSVUFIBJGFKKA-UGSOOPFHSA-N 1 1 353.413 3.163 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000042978966 494255108 /nfs/dbraw/zinc/25/51/08/494255108.db2.gz QZSVUFIBJGFKKA-UGSOOPFHSA-N 1 1 353.413 3.163 20 30 FGEDMO COCC[N@H+](CCCc1ccccc1)CC(=O)Nc1sccc1C#N ZINC000065958897 494262984 /nfs/dbraw/zinc/26/29/84/494262984.db2.gz JVABRZKCAWHVHO-UHFFFAOYSA-N 1 1 357.479 3.139 20 30 FGEDMO COCC[N@@H+](CCCc1ccccc1)CC(=O)Nc1sccc1C#N ZINC000065958897 494262988 /nfs/dbraw/zinc/26/29/88/494262988.db2.gz JVABRZKCAWHVHO-UHFFFAOYSA-N 1 1 357.479 3.139 20 30 FGEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000066196899 494288299 /nfs/dbraw/zinc/28/82/99/494288299.db2.gz MXDLYAJWNOOYML-GFCCVEGCSA-N 1 1 372.391 3.351 20 30 FGEDMO CCc1onc(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000089410851 494302139 /nfs/dbraw/zinc/30/21/39/494302139.db2.gz CHNWOILYGHCITC-UHFFFAOYSA-N 1 1 367.453 3.157 20 30 FGEDMO CCc1onc(C)c1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000089410851 494302146 /nfs/dbraw/zinc/30/21/46/494302146.db2.gz CHNWOILYGHCITC-UHFFFAOYSA-N 1 1 367.453 3.157 20 30 FGEDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000055327155 494328532 /nfs/dbraw/zinc/32/85/32/494328532.db2.gz HQDBRGLQQYFHPK-UHFFFAOYSA-N 1 1 355.438 3.190 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)CC1CCCCC1 ZINC000044000044 494334301 /nfs/dbraw/zinc/33/43/01/494334301.db2.gz CIKAASOVAJMUNZ-UHFFFAOYSA-N 1 1 374.529 3.464 20 30 FGEDMO CN(C(=O)C[N@H+](C)CCOc1cccc(Cl)c1)C1(C#N)CCCCC1 ZINC000015049577 494335599 /nfs/dbraw/zinc/33/55/99/494335599.db2.gz YTGIIGFWCAVZAM-UHFFFAOYSA-N 1 1 363.889 3.335 20 30 FGEDMO CN(C(=O)C[N@@H+](C)CCOc1cccc(Cl)c1)C1(C#N)CCCCC1 ZINC000015049577 494335604 /nfs/dbraw/zinc/33/56/04/494335604.db2.gz YTGIIGFWCAVZAM-UHFFFAOYSA-N 1 1 363.889 3.335 20 30 FGEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000015509496 494356948 /nfs/dbraw/zinc/35/69/48/494356948.db2.gz LXSFZDVRGLWECN-KBPBESRZSA-N 1 1 353.422 3.253 20 30 FGEDMO N#CCOc1cccc(CC(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000089773782 494361449 /nfs/dbraw/zinc/36/14/49/494361449.db2.gz SWRLTZPMTAWFAN-LJQANCHMSA-N 1 1 361.445 3.143 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC(C)(C)C3)sc2C1 ZINC000078868106 494373579 /nfs/dbraw/zinc/37/35/79/494373579.db2.gz VWFVSLPXUGLLGJ-CYBMUJFWSA-N 1 1 361.511 3.184 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOC(C)(C)C3)sc2C1 ZINC000078868106 494373585 /nfs/dbraw/zinc/37/35/85/494373585.db2.gz VWFVSLPXUGLLGJ-CYBMUJFWSA-N 1 1 361.511 3.184 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2CCC(CO)CC2)cc1C ZINC000089924157 494402909 /nfs/dbraw/zinc/40/29/09/494402909.db2.gz NUPIOVJQLMLMAZ-UHFFFAOYSA-N 1 1 357.498 3.033 20 30 FGEDMO C=C[C@H](CC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000089962987 494415310 /nfs/dbraw/zinc/41/53/10/494415310.db2.gz IAHXMUXYGWPKFS-FCEUIQTBSA-N 1 1 364.489 3.098 20 30 FGEDMO Cc1cccc(CN2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000045799551 494464055 /nfs/dbraw/zinc/46/40/55/494464055.db2.gz BETSMVKGUMSONX-UHFFFAOYSA-N 1 1 362.477 3.013 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079521178 494472680 /nfs/dbraw/zinc/47/26/80/494472680.db2.gz WKGCAPCEUJWLBA-OAQYLSRUSA-N 1 1 362.477 3.364 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)COc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000079553917 494478871 /nfs/dbraw/zinc/47/88/71/494478871.db2.gz JZUOGQAABMYFID-XLIONFOSSA-N 1 1 363.461 3.106 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)COc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000079553918 494479158 /nfs/dbraw/zinc/47/91/58/494479158.db2.gz JZUOGQAABMYFID-PXNSSMCTSA-N 1 1 363.461 3.106 20 30 FGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CC(=O)Nc2sccc2C#N)cc1 ZINC000090619357 494487977 /nfs/dbraw/zinc/48/79/77/494487977.db2.gz CBVCSGHYBFAXMV-CQSZACIVSA-N 1 1 357.479 3.377 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1C#N ZINC000067180310 494490981 /nfs/dbraw/zinc/49/09/81/494490981.db2.gz UPIWXDOLIXLXJM-MRXNPFEDSA-N 1 1 370.478 3.178 20 30 FGEDMO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046527043 494536111 /nfs/dbraw/zinc/53/61/11/494536111.db2.gz YIEQUYRCBMGFGP-UHFFFAOYSA-N 1 1 373.403 3.250 20 30 FGEDMO CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046527043 494536118 /nfs/dbraw/zinc/53/61/18/494536118.db2.gz YIEQUYRCBMGFGP-UHFFFAOYSA-N 1 1 373.403 3.250 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C#N)cc1 ZINC000046529292 494536511 /nfs/dbraw/zinc/53/65/11/494536511.db2.gz AAMYRIMRWBFUNU-UHFFFAOYSA-N 1 1 364.474 3.441 20 30 FGEDMO C=CCOc1cccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000056624117 494538251 /nfs/dbraw/zinc/53/82/51/494538251.db2.gz KMXMTGSPMJMKNB-UHFFFAOYSA-N 1 1 351.450 3.431 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(C#N)c(OC)c1 ZINC000574240373 505727890 /nfs/dbraw/zinc/72/78/90/505727890.db2.gz LMIFVBDNJZUBHP-NRFANRHFSA-N 1 1 364.493 3.448 20 30 FGEDMO C[NH+]1CCC(C#N)(NC(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000080012015 494569719 /nfs/dbraw/zinc/56/97/19/494569719.db2.gz KGKOGKLAVUJLCW-UHFFFAOYSA-N 1 1 351.834 3.412 20 30 FGEDMO N#Cc1ccc(CSCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000046896100 494581453 /nfs/dbraw/zinc/58/14/53/494581453.db2.gz VKHBFXQEAOCBEZ-FQEVSTJZSA-N 1 1 365.502 3.182 20 30 FGEDMO C[C@@H]1C[N@H+](CC2CCN(c3ccc4cc(C#N)ccc4n3)CC2)C[C@H](C)O1 ZINC000091478177 494606332 /nfs/dbraw/zinc/60/63/32/494606332.db2.gz DKWIWTPFSDCIDH-CALCHBBNSA-N 1 1 364.493 3.432 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000115751698 494609673 /nfs/dbraw/zinc/60/96/73/494609673.db2.gz KOWTUYLDHBYVSN-VQIMIIECSA-N 1 1 358.486 3.011 20 30 FGEDMO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000131442096 494620739 /nfs/dbraw/zinc/62/07/39/494620739.db2.gz PLVWPVVXYLRNIB-QGZVFWFLSA-N 1 1 355.507 3.343 20 30 FGEDMO C[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000047036444 494623115 /nfs/dbraw/zinc/62/31/15/494623115.db2.gz JTPMQIOBDCBVOX-YLJYHZDGSA-N 1 1 354.498 3.354 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1OCCCC#N ZINC000121272735 494676196 /nfs/dbraw/zinc/67/61/96/494676196.db2.gz TZTNVDLCQQEURR-KRWDZBQOSA-N 1 1 354.454 3.480 20 30 FGEDMO CC(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCC1 ZINC000108365096 494688632 /nfs/dbraw/zinc/68/86/32/494688632.db2.gz AFRWOVUUYQGHMA-UHFFFAOYSA-N 1 1 351.454 3.335 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCCCC)C2)cc1OC ZINC000092710352 494724008 /nfs/dbraw/zinc/72/40/08/494724008.db2.gz MGOJMDOWSUXQKF-SFHVURJKSA-N 1 1 360.498 3.388 20 30 FGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000121406850 494742193 /nfs/dbraw/zinc/74/21/93/494742193.db2.gz NFUXEUZALGNKDC-FQEVSTJZSA-N 1 1 373.460 3.162 20 30 FGEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)cc1 ZINC000057430439 494744532 /nfs/dbraw/zinc/74/45/32/494744532.db2.gz UXCBCUMCLQCAIQ-UHFFFAOYSA-N 1 1 355.482 3.204 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)C3(C#N)CCCCC3)CC2)cc1 ZINC000057430439 494744538 /nfs/dbraw/zinc/74/45/38/494744538.db2.gz UXCBCUMCLQCAIQ-UHFFFAOYSA-N 1 1 355.482 3.204 20 30 FGEDMO COc1ccccc1C[NH+]1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000092894791 494784405 /nfs/dbraw/zinc/78/44/05/494784405.db2.gz NYMLMGKYXNMILT-UHFFFAOYSA-N 1 1 358.445 3.437 20 30 FGEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000093134046 494830839 /nfs/dbraw/zinc/83/08/39/494830839.db2.gz ISSMZJLNMOXJCQ-GOSISDBHSA-N 1 1 365.481 3.286 20 30 FGEDMO COc1ccc(OC)c(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C(C)(C)C)c1 ZINC000132250385 494845901 /nfs/dbraw/zinc/84/59/01/494845901.db2.gz FQEHTUOOTUFCHQ-OAQYLSRUSA-N 1 1 373.497 3.113 20 30 FGEDMO COc1ccc(OC)c(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C(C)(C)C)c1 ZINC000132250385 494845904 /nfs/dbraw/zinc/84/59/04/494845904.db2.gz FQEHTUOOTUFCHQ-OAQYLSRUSA-N 1 1 373.497 3.113 20 30 FGEDMO CCC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1CCOC ZINC000121804415 494863784 /nfs/dbraw/zinc/86/37/84/494863784.db2.gz UEVGQYJSMFCJAQ-LJQANCHMSA-N 1 1 368.443 3.490 20 30 FGEDMO CCOCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000093311872 494866402 /nfs/dbraw/zinc/86/64/02/494866402.db2.gz BIWMACLYZMHOHH-UHFFFAOYSA-N 1 1 360.502 3.389 20 30 FGEDMO CCOCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000093311872 494866404 /nfs/dbraw/zinc/86/64/04/494866404.db2.gz BIWMACLYZMHOHH-UHFFFAOYSA-N 1 1 360.502 3.389 20 30 FGEDMO C=CC[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)Cc1ccccc1 ZINC000027777317 494885102 /nfs/dbraw/zinc/88/51/02/494885102.db2.gz DHMOPQBOIFAQED-UHFFFAOYSA-N 1 1 374.488 3.236 20 30 FGEDMO C=CC[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)Cc1ccccc1 ZINC000027777317 494885105 /nfs/dbraw/zinc/88/51/05/494885105.db2.gz DHMOPQBOIFAQED-UHFFFAOYSA-N 1 1 374.488 3.236 20 30 FGEDMO COc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1OC(F)F ZINC000127054437 494886381 /nfs/dbraw/zinc/88/63/81/494886381.db2.gz GEXHOEFQQVTCOE-MRXNPFEDSA-N 1 1 362.376 3.334 20 30 FGEDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000109812796 494921353 /nfs/dbraw/zinc/92/13/53/494921353.db2.gz MCXBVRVAATZILT-UHFFFAOYSA-N 1 1 362.430 3.194 20 30 FGEDMO COc1ccc(O)c(/C=N/CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000110129862 494952139 /nfs/dbraw/zinc/95/21/39/494952139.db2.gz QYDXSYBVJNFEQS-CIAFOILYSA-N 1 1 357.454 3.337 20 30 FGEDMO C=CC[C@@H]1N(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CCCC1(C)C ZINC000574356795 505754369 /nfs/dbraw/zinc/75/43/69/505754369.db2.gz OQJHMDBEKLQPLE-INIZCTEOSA-N 1 1 355.486 3.241 20 30 FGEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000118533588 495007183 /nfs/dbraw/zinc/00/71/83/495007183.db2.gz BBMVFUKXCZHGQB-KGLIPLIRSA-N 1 1 351.903 3.412 20 30 FGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000118533588 495007185 /nfs/dbraw/zinc/00/71/85/495007185.db2.gz BBMVFUKXCZHGQB-KGLIPLIRSA-N 1 1 351.903 3.412 20 30 FGEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000577575476 505755900 /nfs/dbraw/zinc/75/59/00/505755900.db2.gz ZJIJYGZILYSXSQ-APWZRJJASA-N 1 1 364.449 3.050 20 30 FGEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000577575476 505755905 /nfs/dbraw/zinc/75/59/05/505755905.db2.gz ZJIJYGZILYSXSQ-APWZRJJASA-N 1 1 364.449 3.050 20 30 FGEDMO COCCCOC1CC[NH+](Cc2ncc(-c3ccc(C#N)cc3)o2)CC1 ZINC000122744648 495024461 /nfs/dbraw/zinc/02/44/61/495024461.db2.gz YXXVQJUJEIZQPJ-UHFFFAOYSA-N 1 1 355.438 3.231 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000118817054 495041135 /nfs/dbraw/zinc/04/11/35/495041135.db2.gz HNYLKDSOVSHNHB-GOSISDBHSA-N 1 1 374.529 3.037 20 30 FGEDMO COC(=O)c1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000118956700 495057991 /nfs/dbraw/zinc/05/79/91/495057991.db2.gz ZVFFSKFTTIJITM-UHFFFAOYSA-N 1 1 356.447 3.450 20 30 FGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3ccc(C#N)cc3)CC2)cs1 ZINC000111423392 495072949 /nfs/dbraw/zinc/07/29/49/495072949.db2.gz IWDRSINBQFVHGO-UHFFFAOYSA-N 1 1 369.494 3.357 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)c(F)c1 ZINC000101558436 495077475 /nfs/dbraw/zinc/07/74/75/495077475.db2.gz YTOGWDBWXMPLCD-UHFFFAOYSA-N 1 1 361.424 3.205 20 30 FGEDMO Cc1oc(NC(=O)CN2CCC[N@@H+](CC3CCCCC3)CC2)c(C#N)c1C ZINC000128426212 495095056 /nfs/dbraw/zinc/09/50/56/495095056.db2.gz VRFJJDIANRMHJC-UHFFFAOYSA-N 1 1 372.513 3.295 20 30 FGEDMO N#CC1(CNC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000574384973 505761138 /nfs/dbraw/zinc/76/11/38/505761138.db2.gz BDZYCACHUUSASR-UHFFFAOYSA-N 1 1 366.509 3.378 20 30 FGEDMO N#Cc1ccsc1NC(=O)C[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000134318777 495134563 /nfs/dbraw/zinc/13/45/63/495134563.db2.gz XABCZWGOKJDISZ-UHFFFAOYSA-N 1 1 369.490 3.366 20 30 FGEDMO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000134318777 495134566 /nfs/dbraw/zinc/13/45/66/495134566.db2.gz XABCZWGOKJDISZ-UHFFFAOYSA-N 1 1 369.490 3.366 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000134805527 495203582 /nfs/dbraw/zinc/20/35/82/495203582.db2.gz MNXGWDVWAKNFPF-QHAWAJNXSA-N 1 1 354.425 3.319 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000123939492 495209619 /nfs/dbraw/zinc/20/96/19/495209619.db2.gz IYNCDIYDNXZXPT-UHFFFAOYSA-N 1 1 354.479 3.354 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000123939492 495209622 /nfs/dbraw/zinc/20/96/22/495209622.db2.gz IYNCDIYDNXZXPT-UHFFFAOYSA-N 1 1 354.479 3.354 20 30 FGEDMO CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000119761046 495234897 /nfs/dbraw/zinc/23/48/97/495234897.db2.gz FCEOMXMTIHMHQN-QFBILLFUSA-N 1 1 361.461 3.208 20 30 FGEDMO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000119761046 495234901 /nfs/dbraw/zinc/23/49/01/495234901.db2.gz FCEOMXMTIHMHQN-QFBILLFUSA-N 1 1 361.461 3.208 20 30 FGEDMO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000571597390 505769140 /nfs/dbraw/zinc/76/91/40/505769140.db2.gz GZZDOMRCUPQXCS-XLIONFOSSA-N 1 1 357.498 3.186 20 30 FGEDMO CC(C)[N@@H+](C)CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000104394441 495281812 /nfs/dbraw/zinc/28/18/12/495281812.db2.gz ZAIOYKZRZRQAMP-FQEVSTJZSA-N 1 1 351.450 3.287 20 30 FGEDMO N#CCCn1cc(CNCC[NH+]2CCCCCC2)c(-c2ccccc2)n1 ZINC000113318131 495295258 /nfs/dbraw/zinc/29/52/58/495295258.db2.gz ZCEXACKLWAFNRO-UHFFFAOYSA-N 1 1 351.498 3.429 20 30 FGEDMO CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714380 495300459 /nfs/dbraw/zinc/30/04/59/495300459.db2.gz BAVGHXATSWNDSU-SFHVURJKSA-N 1 1 355.482 3.193 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)NCCCCn2cc[nH+]c2C)c1C#N ZINC000129867783 495307349 /nfs/dbraw/zinc/30/73/49/495307349.db2.gz WMWDCEDLPXPRFA-UHFFFAOYSA-N 1 1 369.494 3.268 20 30 FGEDMO C[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000104918369 495314929 /nfs/dbraw/zinc/31/49/29/495314929.db2.gz LLWXYKZGHANLMQ-BBWFWOEESA-N 1 1 355.482 3.189 20 30 FGEDMO CCOCCC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000120155719 495317724 /nfs/dbraw/zinc/31/77/24/495317724.db2.gz YCUCQOHISJJYFA-UHFFFAOYSA-N 1 1 369.509 3.189 20 30 FGEDMO CCOCCC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000120155719 495317730 /nfs/dbraw/zinc/31/77/30/495317730.db2.gz YCUCQOHISJJYFA-UHFFFAOYSA-N 1 1 369.509 3.189 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000120239464 495334459 /nfs/dbraw/zinc/33/44/59/495334459.db2.gz ZSBRZOVUXVUEBG-QGZVFWFLSA-N 1 1 356.514 3.329 20 30 FGEDMO C#CCCCCC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000120305227 495347864 /nfs/dbraw/zinc/34/78/64/495347864.db2.gz DIBGLEKTUOIXAS-IBGZPJMESA-N 1 1 350.466 3.462 20 30 FGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000105462901 495365762 /nfs/dbraw/zinc/36/57/62/495365762.db2.gz SFCRDLOSGFHLCT-MRXNPFEDSA-N 1 1 352.457 3.300 20 30 FGEDMO CCc1ccccc1NC(=O)C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000105588896 495374560 /nfs/dbraw/zinc/37/45/60/495374560.db2.gz YJPQWIAKVJVTBR-UHFFFAOYSA-N 1 1 364.449 3.020 20 30 FGEDMO CCc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000105588896 495374564 /nfs/dbraw/zinc/37/45/64/495374564.db2.gz YJPQWIAKVJVTBR-UHFFFAOYSA-N 1 1 364.449 3.020 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCC1CCOCC1 ZINC000120475988 495387878 /nfs/dbraw/zinc/38/78/78/495387878.db2.gz MGOUONRKRROSQV-MRXNPFEDSA-N 1 1 350.528 3.400 20 30 FGEDMO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000114682919 495409133 /nfs/dbraw/zinc/40/91/33/495409133.db2.gz RSCZJRHQZTWITJ-UHFFFAOYSA-N 1 1 361.445 3.057 20 30 FGEDMO C[N@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000125252550 495414799 /nfs/dbraw/zinc/41/47/99/495414799.db2.gz ZBLUKQJFKCURGE-UHFFFAOYSA-N 1 1 361.489 3.471 20 30 FGEDMO C[N@@H+](CC(=O)N1CCC(Cc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000125252550 495414803 /nfs/dbraw/zinc/41/48/03/495414803.db2.gz ZBLUKQJFKCURGE-UHFFFAOYSA-N 1 1 361.489 3.471 20 30 FGEDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc(C#N)cc1C)c1ccccc1 ZINC000120615006 495418144 /nfs/dbraw/zinc/41/81/44/495418144.db2.gz QYEFBBLEOWSDOM-NRFANRHFSA-N 1 1 365.477 3.306 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(CC[NH+](C)C)CC1 ZINC000114802180 495427404 /nfs/dbraw/zinc/42/74/04/495427404.db2.gz YDHCWQVTWJWOKH-KRWDZBQOSA-N 1 1 374.504 3.125 20 30 FGEDMO N#Cc1ccccc1OCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000138563241 495464631 /nfs/dbraw/zinc/46/46/31/495464631.db2.gz QHCAJGAWXSOEJE-UHFFFAOYSA-N 1 1 367.474 3.125 20 30 FGEDMO CC(C)[C@@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000140515712 495496854 /nfs/dbraw/zinc/49/68/54/495496854.db2.gz UEDIVTQRPIXMSN-KRWDZBQOSA-N 1 1 352.400 3.294 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000141770769 495510222 /nfs/dbraw/zinc/51/02/22/495510222.db2.gz NZDYBMJJKGRPLE-MRXNPFEDSA-N 1 1 359.451 3.223 20 30 FGEDMO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000115533732 495514131 /nfs/dbraw/zinc/51/41/31/495514131.db2.gz MCZZDNQITAHOEN-OAQYLSRUSA-N 1 1 358.445 3.446 20 30 FGEDMO Cc1nsc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1C#N ZINC000580565280 505787494 /nfs/dbraw/zinc/78/74/94/505787494.db2.gz LFSRBCRVZAOKFA-CJNGLKHVSA-N 1 1 355.467 3.108 20 30 FGEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC000568832375 505787826 /nfs/dbraw/zinc/78/78/26/505787826.db2.gz CJOLKJWFCIBGDE-OAHLLOKOSA-N 1 1 366.440 3.048 20 30 FGEDMO C=CCSCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000176242432 495559804 /nfs/dbraw/zinc/55/98/04/495559804.db2.gz WOOVLTNQTFXEAT-GDBMZVCRSA-N 1 1 353.557 3.349 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000176249836 495564162 /nfs/dbraw/zinc/56/41/62/495564162.db2.gz KNAUNSZBVFBFBY-GOSISDBHSA-N 1 1 372.465 3.036 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000176249836 495564164 /nfs/dbraw/zinc/56/41/64/495564164.db2.gz KNAUNSZBVFBFBY-GOSISDBHSA-N 1 1 372.465 3.036 20 30 FGEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000150204476 495607589 /nfs/dbraw/zinc/60/75/89/495607589.db2.gz LPZXCMWYAZRBDQ-MRXNPFEDSA-N 1 1 374.448 3.161 20 30 FGEDMO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000170814035 495611651 /nfs/dbraw/zinc/61/16/51/495611651.db2.gz WXSJUUNAWPETQT-UHFFFAOYSA-N 1 1 359.861 3.038 20 30 FGEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000150743945 495619224 /nfs/dbraw/zinc/61/92/24/495619224.db2.gz KDRYAJQDMKWGAG-KRWDZBQOSA-N 1 1 351.454 3.337 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150844496 495652744 /nfs/dbraw/zinc/65/27/44/495652744.db2.gz KEVXREUCYMOYNT-LBPRGKRZSA-N 1 1 365.861 3.202 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150844496 495652749 /nfs/dbraw/zinc/65/27/49/495652749.db2.gz KEVXREUCYMOYNT-LBPRGKRZSA-N 1 1 365.861 3.202 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000580604342 505795277 /nfs/dbraw/zinc/79/52/77/505795277.db2.gz QPHSTDACPUACDN-UHFFFAOYSA-N 1 1 365.437 3.192 20 30 FGEDMO C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695298 495683767 /nfs/dbraw/zinc/68/37/67/495683767.db2.gz XKRIJECOPRWVME-QAPCUYQASA-N 1 1 365.481 3.351 20 30 FGEDMO C[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)[N@@H+](C)Cc1ccccc1 ZINC000176617723 495722545 /nfs/dbraw/zinc/72/25/45/495722545.db2.gz WWKVMYWCHXRKTA-HNNXBMFYSA-N 1 1 354.429 3.017 20 30 FGEDMO N#CCSCCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000173871196 495727083 /nfs/dbraw/zinc/72/70/83/495727083.db2.gz NONRDWMPDMTPMU-UHFFFAOYSA-N 1 1 372.321 3.398 20 30 FGEDMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000180050325 495837884 /nfs/dbraw/zinc/83/78/84/495837884.db2.gz ZZCHLQYNOIBFDY-HNNXBMFYSA-N 1 1 352.438 3.302 20 30 FGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000180058758 495840085 /nfs/dbraw/zinc/84/00/85/495840085.db2.gz AXHWRXZXSZVSNT-AWEZNQCLSA-N 1 1 370.478 3.219 20 30 FGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000180058758 495840090 /nfs/dbraw/zinc/84/00/90/495840090.db2.gz AXHWRXZXSZVSNT-AWEZNQCLSA-N 1 1 370.478 3.219 20 30 FGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180084819 495851213 /nfs/dbraw/zinc/85/12/13/495851213.db2.gz OWSWXIKFHQKBPP-FRQCXROJSA-N 1 1 368.481 3.458 20 30 FGEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000155263823 495896836 /nfs/dbraw/zinc/89/68/36/495896836.db2.gz ZAIXVWNUUDOEDW-OAQYLSRUSA-N 1 1 357.461 3.459 20 30 FGEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180198347 495901571 /nfs/dbraw/zinc/90/15/71/495901571.db2.gz FSQTVMCWFHPLFZ-HXUWFJFHSA-N 1 1 351.498 3.265 20 30 FGEDMO COc1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)cc1OCCCC#N ZINC000183272548 495910384 /nfs/dbraw/zinc/91/03/84/495910384.db2.gz LLVGNWJTSBSCIA-UHFFFAOYSA-N 1 1 374.481 3.007 20 30 FGEDMO COc1ccc(C[NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1C#N ZINC000174342155 495919185 /nfs/dbraw/zinc/91/91/85/495919185.db2.gz CYSTXCMHXOLTLL-GOSISDBHSA-N 1 1 363.421 3.499 20 30 FGEDMO COc1ccc([C@@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)cc1 ZINC000155328192 495921912 /nfs/dbraw/zinc/92/19/12/495921912.db2.gz YKLNYVWZZRANSX-GOSISDBHSA-N 1 1 355.482 3.169 20 30 FGEDMO N#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)o1 ZINC000174388893 495937365 /nfs/dbraw/zinc/93/73/65/495937365.db2.gz JQWAQSNXHVQOEQ-UHFFFAOYSA-N 1 1 361.405 3.158 20 30 FGEDMO N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000174415995 495948975 /nfs/dbraw/zinc/94/89/75/495948975.db2.gz CLLQGFMVKDEZLP-QGZVFWFLSA-N 1 1 369.415 3.365 20 30 FGEDMO COC(=O)c1cc(F)ccc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000171626388 495955311 /nfs/dbraw/zinc/95/53/11/495955311.db2.gz HIWKVBFBAXHSQN-UHFFFAOYSA-N 1 1 367.424 3.196 20 30 FGEDMO COC(=O)c1cc(F)ccc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000171626388 495955313 /nfs/dbraw/zinc/95/53/13/495955313.db2.gz HIWKVBFBAXHSQN-UHFFFAOYSA-N 1 1 367.424 3.196 20 30 FGEDMO Cc1noc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1 ZINC000171631742 495956994 /nfs/dbraw/zinc/95/69/94/495956994.db2.gz HWMCKVXZNDBTAC-AWEZNQCLSA-N 1 1 373.844 3.111 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc(C#N)cn2C)CC[N@H+]1Cc1ccccc1 ZINC000177422981 496056453 /nfs/dbraw/zinc/05/64/53/496056453.db2.gz TTZFLEFANZUTFN-VQIMIIECSA-N 1 1 350.466 3.022 20 30 FGEDMO CC(C)n1cc(C#N)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000160986772 496080062 /nfs/dbraw/zinc/08/00/62/496080062.db2.gz ATEQTTVFYBFIFG-QGZVFWFLSA-N 1 1 351.454 3.186 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000171946991 496104508 /nfs/dbraw/zinc/10/45/08/496104508.db2.gz CHHNLVVMFLXEKZ-IBGZPJMESA-N 1 1 371.868 3.204 20 30 FGEDMO C[N@@H+](CCCNC(=O)NCc1cc(C#N)ccc1F)Cc1ccccc1 ZINC000174783611 496104853 /nfs/dbraw/zinc/10/48/53/496104853.db2.gz LCFFZMOMHOHHDE-UHFFFAOYSA-N 1 1 354.429 3.019 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)c1 ZINC000161173267 496120127 /nfs/dbraw/zinc/12/01/27/496120127.db2.gz QEDIIDSUADEIJI-UHFFFAOYSA-N 1 1 365.477 3.484 20 30 FGEDMO C=CCOc1ccc(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000174880274 496145741 /nfs/dbraw/zinc/14/57/41/496145741.db2.gz FDQPDSSXLTVFOL-UHFFFAOYSA-N 1 1 366.465 3.057 20 30 FGEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000152459727 496158758 /nfs/dbraw/zinc/15/87/58/496158758.db2.gz DMJBAVNTSYOBQI-KRWDZBQOSA-N 1 1 351.454 3.133 20 30 FGEDMO Cc1ccc(C#N)cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000180948839 496213447 /nfs/dbraw/zinc/21/34/47/496213447.db2.gz HWALNVVFIWBXAA-SFHVURJKSA-N 1 1 367.474 3.040 20 30 FGEDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000152704602 496232481 /nfs/dbraw/zinc/23/24/81/496232481.db2.gz OGODMZSHBNZEQM-MRXNPFEDSA-N 1 1 355.482 3.191 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(Br)c1 ZINC000181151845 496288897 /nfs/dbraw/zinc/28/88/97/496288897.db2.gz MRSQLQPAULCBHL-LSDHHAIUSA-N 1 1 353.285 3.027 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c(Br)c1 ZINC000181151845 496288900 /nfs/dbraw/zinc/28/89/00/496288900.db2.gz MRSQLQPAULCBHL-LSDHHAIUSA-N 1 1 353.285 3.027 20 30 FGEDMO C=CCOCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156640762 496299944 /nfs/dbraw/zinc/29/99/44/496299944.db2.gz NWLGCEDCDNTUQA-RTWAWAEBSA-N 1 1 356.510 3.482 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c(C#N)c1C ZINC000156716643 496318272 /nfs/dbraw/zinc/31/82/72/496318272.db2.gz IRHHUKXTAVNMIR-GOSISDBHSA-N 1 1 367.449 3.040 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c(C#N)c1C ZINC000156716643 496318280 /nfs/dbraw/zinc/31/82/80/496318280.db2.gz IRHHUKXTAVNMIR-GOSISDBHSA-N 1 1 367.449 3.040 20 30 FGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156757436 496327655 /nfs/dbraw/zinc/32/76/55/496327655.db2.gz JZBSGUMILNFXTM-LPHOPBHVSA-N 1 1 354.475 3.210 20 30 FGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156757436 496327661 /nfs/dbraw/zinc/32/76/61/496327661.db2.gz JZBSGUMILNFXTM-LPHOPBHVSA-N 1 1 354.475 3.210 20 30 FGEDMO C=C(C)C[NH+]1CCC(N[C@H](CC)c2ccccc2OCC(=O)N(C)C)CC1 ZINC000153018488 496327639 /nfs/dbraw/zinc/32/76/39/496327639.db2.gz NZNIZAOBDKFTSR-HXUWFJFHSA-N 1 1 373.541 3.235 20 30 FGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000181252418 496328475 /nfs/dbraw/zinc/32/84/75/496328475.db2.gz BHKRAKIRMZZIBR-UHFFFAOYSA-N 1 1 360.376 3.177 20 30 FGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC ZINC000181252418 496328479 /nfs/dbraw/zinc/32/84/79/496328479.db2.gz BHKRAKIRMZZIBR-UHFFFAOYSA-N 1 1 360.376 3.177 20 30 FGEDMO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162570161 496375369 /nfs/dbraw/zinc/37/53/69/496375369.db2.gz DNFMETTZUDETFI-MRXNPFEDSA-N 1 1 361.511 3.062 20 30 FGEDMO CC(C)(O)[C@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000162570161 496375371 /nfs/dbraw/zinc/37/53/71/496375371.db2.gz DNFMETTZUDETFI-MRXNPFEDSA-N 1 1 361.511 3.062 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1OC ZINC000162619767 496383300 /nfs/dbraw/zinc/38/33/00/496383300.db2.gz ZTABVODQAKCMKQ-UHFFFAOYSA-N 1 1 369.465 3.088 20 30 FGEDMO C=CCN(CC=C)C(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157009605 496384911 /nfs/dbraw/zinc/38/49/11/496384911.db2.gz YGKFVHPPLYFVMD-PZJWPPBQSA-N 1 1 355.526 3.172 20 30 FGEDMO CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000172716726 496399454 /nfs/dbraw/zinc/39/94/54/496399454.db2.gz UKWDMMRHKHCBAA-HXUWFJFHSA-N 1 1 363.461 3.327 20 30 FGEDMO CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000172716726 496399459 /nfs/dbraw/zinc/39/94/59/496399459.db2.gz UKWDMMRHKHCBAA-HXUWFJFHSA-N 1 1 363.461 3.327 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCOC1 ZINC000178355596 496426484 /nfs/dbraw/zinc/42/64/84/496426484.db2.gz GWYQAJXHNDIGLA-CQSZACIVSA-N 1 1 361.511 3.186 20 30 FGEDMO C[N@@H+]1CCN(C(=O)c2cccc(SCC#N)c2)[C@H](c2ccccc2)C1 ZINC000175542367 496434843 /nfs/dbraw/zinc/43/48/43/496434843.db2.gz DACVVVYLTIJGRO-IBGZPJMESA-N 1 1 351.475 3.431 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2cccc(SCC#N)c2)[C@H](c2ccccc2)C1 ZINC000175542367 496434846 /nfs/dbraw/zinc/43/48/46/496434846.db2.gz DACVVVYLTIJGRO-IBGZPJMESA-N 1 1 351.475 3.431 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000157341364 496457174 /nfs/dbraw/zinc/45/71/74/496457174.db2.gz PUPOAXCDZJTTTI-KRWDZBQOSA-N 1 1 372.513 3.092 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000157397355 496469027 /nfs/dbraw/zinc/46/90/27/496469027.db2.gz JBDGLCMDCVYPMR-GOSISDBHSA-N 1 1 374.916 3.491 20 30 FGEDMO N#Cc1ccc(NC(=O)CCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000157397355 496469030 /nfs/dbraw/zinc/46/90/30/496469030.db2.gz JBDGLCMDCVYPMR-GOSISDBHSA-N 1 1 374.916 3.491 20 30 FGEDMO CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153548163 496492994 /nfs/dbraw/zinc/49/29/94/496492994.db2.gz BHWHHNOCMMZOMD-HXUWFJFHSA-N 1 1 363.461 3.303 20 30 FGEDMO Cc1ccc(-c2noc(CN3CC[NH+](CCC(C)(C)C#N)CC3)n2)cc1 ZINC000157541333 496498872 /nfs/dbraw/zinc/49/88/72/496498872.db2.gz AEHKFZRMIKIBMO-UHFFFAOYSA-N 1 1 353.470 3.103 20 30 FGEDMO N#CCCCOc1cccc(C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000184713332 496504248 /nfs/dbraw/zinc/50/42/48/496504248.db2.gz FWTZGKHTANWGLJ-UHFFFAOYSA-N 1 1 350.466 3.082 20 30 FGEDMO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000569091574 505850266 /nfs/dbraw/zinc/85/02/66/505850266.db2.gz ZQCMQZLIIPKRIF-KRWDZBQOSA-N 1 1 369.387 3.319 20 30 FGEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@](C)(C(F)(F)F)O1 ZINC000569091574 505850269 /nfs/dbraw/zinc/85/02/69/505850269.db2.gz ZQCMQZLIIPKRIF-KRWDZBQOSA-N 1 1 369.387 3.319 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181774835 496539842 /nfs/dbraw/zinc/53/98/42/496539842.db2.gz WRCZQCVCZFADKS-IBGZPJMESA-N 1 1 356.491 3.363 20 30 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COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OCCCC#N ZINC000290352007 498520581 /nfs/dbraw/zinc/52/05/81/498520581.db2.gz GCYAYOAXOLIICQ-RTBURBONSA-N 1 1 357.498 3.294 20 30 FGEDMO N#Cc1c(NCC[N@H+]2CCc3c(Cl)cccc3C2)nc2ccccn12 ZINC000302651767 498524777 /nfs/dbraw/zinc/52/47/77/498524777.db2.gz KBAOOOYTFYUYMW-UHFFFAOYSA-N 1 1 351.841 3.330 20 30 FGEDMO N#Cc1c(NCC[N@@H+]2CCc3c(Cl)cccc3C2)nc2ccccn12 ZINC000302651767 498524780 /nfs/dbraw/zinc/52/47/80/498524780.db2.gz KBAOOOYTFYUYMW-UHFFFAOYSA-N 1 1 351.841 3.330 20 30 FGEDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302682276 498532533 /nfs/dbraw/zinc/53/25/33/498532533.db2.gz SJHVMXLTBXUAPZ-CQSZACIVSA-N 1 1 354.420 3.263 20 30 FGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000302697136 498535561 /nfs/dbraw/zinc/53/55/61/498535561.db2.gz WMZRYYPCJDWJLR-ZBFHGGJFSA-N 1 1 351.410 3.078 20 30 FGEDMO N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000302797975 498579292 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CO[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1(C)C ZINC000294928353 498852654 /nfs/dbraw/zinc/85/26/54/498852654.db2.gz GBZNRARXUMAFLJ-GOSISDBHSA-N 1 1 353.470 3.106 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)Cc2ccc(C#N)s2)[C@@H]1c1cnn(C)c1 ZINC000328640208 498885603 /nfs/dbraw/zinc/88/56/03/498885603.db2.gz PVTUAWFTGLFMKK-HNAYVOBHSA-N 1 1 357.527 3.258 20 30 FGEDMO CCN1CCC[C@@H](C[N@H+](C)Cc2ccc(C#N)s2)[C@@H]1c1cnn(C)c1 ZINC000328640208 498885609 /nfs/dbraw/zinc/88/56/09/498885609.db2.gz PVTUAWFTGLFMKK-HNAYVOBHSA-N 1 1 357.527 3.258 20 30 FGEDMO CCN1CCC[C@@H](C[N@@H+](C)Cc2ccc(C#N)s2)[C@@H]1c1cnn(C)c1 ZINC000328640208 498885615 /nfs/dbraw/zinc/88/56/15/498885615.db2.gz PVTUAWFTGLFMKK-HNAYVOBHSA-N 1 1 357.527 3.258 20 30 FGEDMO O=C(Nc1ccccc1C(=O)N1CCCCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328647632 498888792 /nfs/dbraw/zinc/88/87/92/498888792.db2.gz HQSREJIJMLEQDL-RBUKOAKNSA-N 1 1 370.497 3.075 20 30 FGEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](CO)c1ccccc1 ZINC000295071639 498899048 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C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000416694727 500089680 /nfs/dbraw/zinc/08/96/80/500089680.db2.gz UIPUVOZBPSVNBB-GQIGUUNPSA-N 1 1 354.498 3.355 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000416783187 500119523 /nfs/dbraw/zinc/11/95/23/500119523.db2.gz ZJDHSDTVZCKMJF-INIZCTEOSA-N 1 1 364.449 3.305 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000416783187 500119526 /nfs/dbraw/zinc/11/95/26/500119526.db2.gz ZJDHSDTVZCKMJF-INIZCTEOSA-N 1 1 364.449 3.305 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCCCOC1CCCCC1 ZINC000425531596 500134527 /nfs/dbraw/zinc/13/45/27/500134527.db2.gz HUYWWNAOJLYUJR-KRWDZBQOSA-N 1 1 357.498 3.407 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCCCOC1CCCCC1 ZINC000425531596 500134531 /nfs/dbraw/zinc/13/45/31/500134531.db2.gz HUYWWNAOJLYUJR-KRWDZBQOSA-N 1 1 357.498 3.407 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000425539775 500138589 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Cc1ccc(CNC(=O)N(C)Cc2cccc(C#N)c2)c(N2CCCC2)[nH+]1 ZINC000611582663 506223006 /nfs/dbraw/zinc/22/30/06/506223006.db2.gz PILKCOBHJOBONR-UHFFFAOYSA-N 1 1 363.465 3.204 20 30 FGEDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000434877938 500906394 /nfs/dbraw/zinc/90/63/94/500906394.db2.gz SUNXIWNXVXHQGH-ABAIWWIYSA-N 1 1 359.426 3.224 20 30 FGEDMO CC(C)[N@H+](Cc1cn2ccccc2c1C#N)C[C@H](O)COc1ccccc1 ZINC000444820782 500906547 /nfs/dbraw/zinc/90/65/47/500906547.db2.gz YFMFORJAWZRHCU-IBGZPJMESA-N 1 1 363.461 3.461 20 30 FGEDMO C=CCc1cc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc(OC)c1OC ZINC000440138124 500980000 /nfs/dbraw/zinc/98/00/00/500980000.db2.gz VLLSZOJTZVJHLS-LJQANCHMSA-N 1 1 372.509 3.456 20 30 FGEDMO CCOc1ccccc1C[N@@H+]1CCN(c2nccc(C)c2C#N)[C@H](C)C1 ZINC000440644238 501033355 /nfs/dbraw/zinc/03/33/55/501033355.db2.gz BASYQMKJVWUBIC-QGZVFWFLSA-N 1 1 350.466 3.371 20 30 FGEDMO CCOc1ccccc1C[N@H+]1CCN(c2nccc(C)c2C#N)[C@H](C)C1 ZINC000440644238 501033358 /nfs/dbraw/zinc/03/33/58/501033358.db2.gz BASYQMKJVWUBIC-QGZVFWFLSA-N 1 1 350.466 3.371 20 30 FGEDMO CC(C)[NH+]1CCC(N2CCN(Cc3ccccc3C(C)(C)C#N)CC2)CC1 ZINC000441068261 501082817 /nfs/dbraw/zinc/08/28/17/501082817.db2.gz RTNYLPBPOLGPGI-UHFFFAOYSA-N 1 1 368.569 3.478 20 30 FGEDMO CCOC(=O)[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)Cc2ccccc21 ZINC000441125778 501091345 /nfs/dbraw/zinc/09/13/45/501091345.db2.gz MXKWDGBRADXDOA-HXUWFJFHSA-N 1 1 350.418 3.100 20 30 FGEDMO CC[N@H+](CC(=O)OC(C)(C)C)C1CC(Nc2c(C#N)cccc2C#N)C1 ZINC000436380452 501117107 /nfs/dbraw/zinc/11/71/07/501117107.db2.gz YMKIBFOCPBOUBI-UHFFFAOYSA-N 1 1 354.454 3.036 20 30 FGEDMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(Nc2c(C#N)cccc2C#N)C1 ZINC000436380452 501117109 /nfs/dbraw/zinc/11/71/09/501117109.db2.gz YMKIBFOCPBOUBI-UHFFFAOYSA-N 1 1 354.454 3.036 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C#N)n2C)CC[N@H+]1Cc1ccccc1 ZINC000449907878 501123171 /nfs/dbraw/zinc/12/31/71/501123171.db2.gz QLDXFRGLSVVURC-SJLPKXTDSA-N 1 1 350.466 3.022 20 30 FGEDMO Cc1nsc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000436484806 501137325 /nfs/dbraw/zinc/13/73/25/501137325.db2.gz FLMLHNQCAHBLTM-AWEZNQCLSA-N 1 1 369.494 3.452 20 30 FGEDMO CC1CCC([N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]2CCCO2)CC1 ZINC000441489607 501147499 /nfs/dbraw/zinc/14/74/99/501147499.db2.gz UFTVHNJGWHOXSD-XHXISMBCSA-N 1 1 372.509 3.358 20 30 FGEDMO C=CCC[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000441582127 501156178 /nfs/dbraw/zinc/15/61/78/501156178.db2.gz PZEGCRWRPPIGKB-CVEARBPZSA-N 1 1 356.388 3.160 20 30 FGEDMO C=CCC[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000441582127 501156181 /nfs/dbraw/zinc/15/61/81/501156181.db2.gz PZEGCRWRPPIGKB-CVEARBPZSA-N 1 1 356.388 3.160 20 30 FGEDMO COc1cc(C[N@@H+]2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)cc(OC)c1 ZINC000447044170 501196698 /nfs/dbraw/zinc/19/66/98/501196698.db2.gz IROZHKKHIXSGJD-HNNXBMFYSA-N 1 1 372.856 3.310 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)cc(OC)c1 ZINC000447044170 501196699 /nfs/dbraw/zinc/19/66/99/501196699.db2.gz IROZHKKHIXSGJD-HNNXBMFYSA-N 1 1 372.856 3.310 20 30 FGEDMO N#Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1F ZINC000582469234 506240697 /nfs/dbraw/zinc/24/06/97/506240697.db2.gz LEOYTKCDWAIJGG-IBGZPJMESA-N 1 1 366.440 3.161 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNc2ncc(Br)cc2C#N)c1 ZINC000450268559 501222549 /nfs/dbraw/zinc/22/25/49/501222549.db2.gz HKRJVQNRCCCUNH-UHFFFAOYSA-N 1 1 359.271 3.201 20 30 FGEDMO C=CCOc1ccc(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cc1 ZINC000450275727 501224099 /nfs/dbraw/zinc/22/40/99/501224099.db2.gz KMWJPBRGFKIHRU-UNMCSNQZSA-N 1 1 350.462 3.356 20 30 FGEDMO COC[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000451200209 501251597 /nfs/dbraw/zinc/25/15/97/501251597.db2.gz GXIBTWVNHJUNOD-DNVCBOLYSA-N 1 1 361.511 3.235 20 30 FGEDMO COC[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000451200209 501251598 /nfs/dbraw/zinc/25/15/98/501251598.db2.gz GXIBTWVNHJUNOD-DNVCBOLYSA-N 1 1 361.511 3.235 20 30 FGEDMO C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000457597029 501265790 /nfs/dbraw/zinc/26/57/90/501265790.db2.gz AGWMZGAUDFWTQV-PWRODBHTSA-N 1 1 356.510 3.338 20 30 FGEDMO Cc1csc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455325591 501272162 /nfs/dbraw/zinc/27/21/62/501272162.db2.gz NAGOQBQMBGRIIO-UHFFFAOYSA-N 1 1 368.506 3.346 20 30 FGEDMO COc1c(C)cnc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)c1C ZINC000451364885 501275669 /nfs/dbraw/zinc/27/56/69/501275669.db2.gz FCARAIKASYBRAB-UHFFFAOYSA-N 1 1 358.467 3.101 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000457837828 501319342 /nfs/dbraw/zinc/31/93/42/501319342.db2.gz ZSSRKKVFQWLVKV-MLNNCEHLSA-N 1 1 368.521 3.338 20 30 FGEDMO C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453411335 501326010 /nfs/dbraw/zinc/32/60/10/501326010.db2.gz CRVWRNIATKADMW-BQFCYCMXSA-N 1 1 359.518 3.015 20 30 FGEDMO C=CCn1c(CCc2ccco2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453424400 501328457 /nfs/dbraw/zinc/32/84/57/501328457.db2.gz JEFHDQPELKSSAV-ZHALLVOQSA-N 1 1 369.513 3.009 20 30 FGEDMO C=CCn1c(CCOc2ccccc2)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000453423231 501328511 /nfs/dbraw/zinc/32/85/11/501328511.db2.gz CLTFSWMQSXIVBW-SFHVURJKSA-N 1 1 369.513 3.005 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453448013 501334060 /nfs/dbraw/zinc/33/40/60/501334060.db2.gz BWVVBGPFKXPXBS-AEFFLSMTSA-N 1 1 359.518 3.016 20 30 FGEDMO C=C(C)Cn1c(N2CCC[N@H+](C3CCCC3)CC2)nnc1[C@@]1(C)CCCO1 ZINC000453458605 501337890 /nfs/dbraw/zinc/33/78/90/501337890.db2.gz AJASJVYJNBVZTL-OAQYLSRUSA-N 1 1 373.545 3.335 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000453468201 501340488 /nfs/dbraw/zinc/34/04/88/501340488.db2.gz XIXAZBAAYNEOEA-SPOLIRPYSA-N 1 1 373.545 3.261 20 30 FGEDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000458170675 501384216 /nfs/dbraw/zinc/38/42/16/501384216.db2.gz PJQPCGQDGFRYMM-INIZCTEOSA-N 1 1 367.449 3.192 20 30 FGEDMO CO[C@H]1C[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C12CCC2 ZINC000451854773 501386885 /nfs/dbraw/zinc/38/68/85/501386885.db2.gz RIIJWQRAVDETIK-PMACEKPBSA-N 1 1 369.509 3.440 20 30 FGEDMO CCC(CC)[C@@H](CNC(=O)Nc1cccc(CC#N)c1)[NH+]1CCOCC1 ZINC000455949618 501424264 /nfs/dbraw/zinc/42/42/64/501424264.db2.gz QWLRKGOMHQYBRS-LJQANCHMSA-N 1 1 358.486 3.011 20 30 FGEDMO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000452100235 501435502 /nfs/dbraw/zinc/43/55/02/501435502.db2.gz HXEVEILBMXBCNO-KGLIPLIRSA-N 1 1 361.511 3.184 20 30 FGEDMO COC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000452100235 501435503 /nfs/dbraw/zinc/43/55/03/501435503.db2.gz HXEVEILBMXBCNO-KGLIPLIRSA-N 1 1 361.511 3.184 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000452112722 501437487 /nfs/dbraw/zinc/43/74/87/501437487.db2.gz GWABJMZXIMLRIL-IRXDYDNUSA-N 1 1 374.554 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506263794 /nfs/dbraw/zinc/26/37/94/506263794.db2.gz BNNJRSNIMIHISI-INIZCTEOSA-N 1 1 351.328 3.065 20 30 FGEDMO Cc1cc(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)ncc1C#N ZINC000457521516 501715556 /nfs/dbraw/zinc/71/55/56/501715556.db2.gz BWEANSPEUJOZTO-UHFFFAOYSA-N 1 1 362.477 3.246 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474207774 501744403 /nfs/dbraw/zinc/74/44/03/501744403.db2.gz BJLMSIPSELEKJG-SFHVURJKSA-N 1 1 368.506 3.155 20 30 FGEDMO CN(CCC(=O)Nc1sccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474207774 501744409 /nfs/dbraw/zinc/74/44/09/501744409.db2.gz BJLMSIPSELEKJG-SFHVURJKSA-N 1 1 368.506 3.155 20 30 FGEDMO CN(CCC(=O)Nc1sccc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474207774 501744410 /nfs/dbraw/zinc/74/44/10/501744410.db2.gz BJLMSIPSELEKJG-SFHVURJKSA-N 1 1 368.506 3.155 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](Nc2nc3ncccc3cc2C#N)[C@@H](C)C1 ZINC000596128296 506271730 /nfs/dbraw/zinc/27/17/30/506271730.db2.gz HCCZETAFCIOEEY-MAUKXSAKSA-N 1 1 353.470 3.050 20 30 FGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000467297643 501764057 /nfs/dbraw/zinc/76/40/57/501764057.db2.gz IIEJSZRZQJZAEQ-NSHDSACASA-N 1 1 358.223 3.126 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C[N@H+]1Cc1ccccc1 ZINC000467465302 501800999 /nfs/dbraw/zinc/80/09/99/501800999.db2.gz FLZCSULLYMFVSZ-KBXCAEBGSA-N 1 1 352.413 3.482 20 30 FGEDMO C=C(C)Cn1c(C)nnc1N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000460391047 501812617 /nfs/dbraw/zinc/81/26/17/501812617.db2.gz UMVFWJNEKURVOY-QGZVFWFLSA-N 1 1 369.513 3.272 20 30 FGEDMO C=C(C)Cn1c(C)nnc1N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC000460391047 501812619 /nfs/dbraw/zinc/81/26/19/501812619.db2.gz UMVFWJNEKURVOY-QGZVFWFLSA-N 1 1 369.513 3.272 20 30 FGEDMO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460391079 501812638 /nfs/dbraw/zinc/81/26/38/501812638.db2.gz UPTHXKSVFMBSFI-IRXDYDNUSA-N 1 1 354.502 3.144 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H](C)c2cccc(Br)c2)C1=O ZINC000467512881 501813145 /nfs/dbraw/zinc/81/31/45/501813145.db2.gz JUVVLNFHUALSAL-CJNGLKHVSA-N 1 1 351.288 3.271 20 30 FGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470819781 501816040 /nfs/dbraw/zinc/81/60/40/501816040.db2.gz ABVKCFXXWXGIGW-OALUTQOASA-N 1 1 372.875 3.026 20 30 FGEDMO N#Cc1cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000481710307 501858834 /nfs/dbraw/zinc/85/88/34/501858834.db2.gz GWKICEDSRIBURU-SFHVURJKSA-N 1 1 352.413 3.483 20 30 FGEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000460553822 501859797 /nfs/dbraw/zinc/85/97/97/501859797.db2.gz YFCCDMULJRBJIG-SJORKVTESA-N 1 1 356.518 3.026 20 30 FGEDMO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000485698745 501905543 /nfs/dbraw/zinc/90/55/43/501905543.db2.gz VZEVDLHMLXBQBX-MRXNPFEDSA-N 1 1 369.490 3.291 20 30 FGEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460808030 501926011 /nfs/dbraw/zinc/92/60/11/501926011.db2.gz WDPGOGRVWXDRCC-SJORKVTESA-N 1 1 364.497 3.312 20 30 FGEDMO C[C@@H](NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000588374711 506282118 /nfs/dbraw/zinc/28/21/18/506282118.db2.gz WATDRGZCYCYKGF-UTKZUKDTSA-N 1 1 362.477 3.188 20 30 FGEDMO C[C@@H](NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000588374711 506282121 /nfs/dbraw/zinc/28/21/21/506282121.db2.gz WATDRGZCYCYKGF-UTKZUKDTSA-N 1 1 362.477 3.188 20 30 FGEDMO CCC[N@@H+](CC)CCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000478384930 501961985 /nfs/dbraw/zinc/96/19/85/501961985.db2.gz DIVMUTGLDGCHMA-UHFFFAOYSA-N 1 1 355.404 3.088 20 30 FGEDMO Cn1cc(CNc2[nH+]c3ccc(F)cc3n2C)c(-c2ccc(C#N)cc2)n1 ZINC000464354532 501965110 /nfs/dbraw/zinc/96/51/10/501965110.db2.gz QCKXFEBZLWMPSA-UHFFFAOYSA-N 1 1 360.396 3.019 20 30 FGEDMO N#Cc1cccc(C2(C(=O)NC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000471291687 501980474 /nfs/dbraw/zinc/98/04/74/501980474.db2.gz HBGFASXIXCSSMY-FQEVSTJZSA-N 1 1 359.473 3.228 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000475266548 502111406 /nfs/dbraw/zinc/11/14/06/502111406.db2.gz SBAHETJEPVNNJQ-INIZCTEOSA-N 1 1 359.514 3.324 20 30 FGEDMO Cc1c(C#N)cccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461443203 502116615 /nfs/dbraw/zinc/11/66/15/502116615.db2.gz GRSBVHOFCKQTFS-NHCUHLMSSA-N 1 1 359.473 3.461 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860725 502125894 /nfs/dbraw/zinc/12/58/94/502125894.db2.gz ZQTCEZGPQSBKAQ-TZIWHRDSSA-N 1 1 355.526 3.029 20 30 FGEDMO Cc1ncc(CNC(=O)CC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000602781058 506295710 /nfs/dbraw/zinc/29/57/10/506295710.db2.gz GUBRXIXILIMVAK-RTBURBONSA-N 1 1 368.506 3.230 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+](Cc3c(C)cc(Cl)cc3C)CC2)c1C#N ZINC000471827531 502146720 /nfs/dbraw/zinc/14/67/20/502146720.db2.gz QPVFPEFECYQHMQ-UHFFFAOYSA-N 1 1 357.889 3.193 20 30 FGEDMO Cc1ncc(CNC(=O)CC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000602781057 506297337 /nfs/dbraw/zinc/29/73/37/506297337.db2.gz GUBRXIXILIMVAK-RBUKOAKNSA-N 1 1 368.506 3.230 20 30 FGEDMO C[NH+](C)[C@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1cccc(Cl)c1 ZINC000461734436 502184215 /nfs/dbraw/zinc/18/42/15/502184215.db2.gz CWFGBBGNKKEUAU-IBGZPJMESA-N 1 1 369.852 3.104 20 30 FGEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000475498799 502191200 /nfs/dbraw/zinc/19/12/00/502191200.db2.gz QUTPOGFKWUSUOJ-IBGZPJMESA-N 1 1 372.390 3.448 20 30 FGEDMO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000475498799 502191204 /nfs/dbraw/zinc/19/12/04/502191204.db2.gz QUTPOGFKWUSUOJ-IBGZPJMESA-N 1 1 372.390 3.448 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+](CCO)[C@@H]2CCCSC2)ccc1OC ZINC000475497547 502191947 /nfs/dbraw/zinc/19/19/47/502191947.db2.gz WVIVULQOVQBZNX-QGZVFWFLSA-N 1 1 351.512 3.340 20 30 FGEDMO C=CCCCN(C)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000482908239 502213850 /nfs/dbraw/zinc/21/38/50/502213850.db2.gz YQOWWHYBGCFBKE-UHFFFAOYSA-N 1 1 364.921 3.070 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000468899612 502223236 /nfs/dbraw/zinc/22/32/36/502223236.db2.gz HTEQZIGFEPTLMG-QHAWAJNXSA-N 1 1 356.510 3.167 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)Nc1cccc(C#N)c1 ZINC000482976992 502234290 /nfs/dbraw/zinc/23/42/90/502234290.db2.gz FMDXEYSUNHDZGL-NWDGAFQWSA-N 1 1 373.254 3.394 20 30 FGEDMO Cc1nc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)CC2)no1 ZINC000475641836 502240920 /nfs/dbraw/zinc/24/09/20/502240920.db2.gz UTAGQECNCYTLKJ-LJQANCHMSA-N 1 1 353.470 3.045 20 30 FGEDMO Cn1c(C[NH2+]Cc2cnc3ccc(C#N)cn23)nc2cccc(Cl)c21 ZINC000479417668 502252696 /nfs/dbraw/zinc/25/26/96/502252696.db2.gz XVHBSYZTFJNFFZ-UHFFFAOYSA-N 1 1 350.813 3.036 20 30 FGEDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C#N)s3)cc2)CC1 ZINC000486798052 502266358 /nfs/dbraw/zinc/26/63/58/502266358.db2.gz FWTLLGJURYNYNF-UHFFFAOYSA-N 1 1 354.479 3.010 20 30 FGEDMO N#CCCCC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000462035840 502282007 /nfs/dbraw/zinc/28/20/07/502282007.db2.gz YAHSHOFAFPZHSR-UHFFFAOYSA-N 1 1 352.438 3.116 20 30 FGEDMO COc1ccccc1[C@@H](CNC(=O)c1ccc(C#N)s1)[NH+]1CCCC1 ZINC000486852908 502283985 /nfs/dbraw/zinc/28/39/85/502283985.db2.gz LPEODTJDKXSDHA-MRXNPFEDSA-N 1 1 355.463 3.195 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000465620401 502327981 /nfs/dbraw/zinc/32/79/81/502327981.db2.gz CDQOFLLQPHOXOR-NMLBUPMWSA-N 1 1 352.482 3.095 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](CC1CC1)CC1CCC1 ZINC000483283132 502339288 /nfs/dbraw/zinc/33/92/88/502339288.db2.gz RLVNVLPJEGZCSA-UHFFFAOYSA-N 1 1 363.465 3.195 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000479674946 502340857 /nfs/dbraw/zinc/34/08/57/502340857.db2.gz LZKCCBFADZCAFQ-KRWDZBQOSA-N 1 1 354.498 3.359 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CC1 ZINC000472426239 502348132 /nfs/dbraw/zinc/34/81/32/502348132.db2.gz BPFUTJURVZSTKM-UHFFFAOYSA-N 1 1 354.454 3.431 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000469287273 502362800 /nfs/dbraw/zinc/36/28/00/502362800.db2.gz TZKKQXWLTQGPQA-QGZVFWFLSA-N 1 1 366.465 3.311 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](C)C1 ZINC000476067209 502374895 /nfs/dbraw/zinc/37/48/95/502374895.db2.gz VVCSCJFFTAPDNI-TYPHKJRUSA-N 1 1 371.525 3.327 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)C[C@@H](CC#N)c2ccccc2)[C@H](C)C1 ZINC000476067208 502375024 /nfs/dbraw/zinc/37/50/24/502375024.db2.gz VVCSCJFFTAPDNI-NRSPTQNISA-N 1 1 371.525 3.327 20 30 FGEDMO CN(C(=O)C[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1)C1(C#N)CCCCC1 ZINC000483404235 502376899 /nfs/dbraw/zinc/37/68/99/502376899.db2.gz JGELCIOAUGYLCG-FQEVSTJZSA-N 1 1 357.473 3.474 20 30 FGEDMO C=C(C)CN(CC)C(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483488464 502407385 /nfs/dbraw/zinc/40/73/85/502407385.db2.gz YHZKOBVDQTVLCN-FGZHOGPDSA-N 1 1 369.553 3.398 20 30 FGEDMO Cc1[nH+]ccn1CCCCNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000480011461 502444982 /nfs/dbraw/zinc/44/49/82/502444982.db2.gz HBKNTUTYUVVIJB-UHFFFAOYSA-N 1 1 362.481 3.303 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000588702188 506315712 /nfs/dbraw/zinc/31/57/12/506315712.db2.gz YSSRCNRAGSENGW-XBMUEBEBSA-N 1 1 370.497 3.024 20 30 FGEDMO CCC[C@@H]1CN(C(=O)C[C@@H](CC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000476521209 502513471 /nfs/dbraw/zinc/51/34/71/502513471.db2.gz HFIYMUJPEYMVBV-WOJBJXKFSA-N 1 1 357.498 3.033 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000487961391 502581853 /nfs/dbraw/zinc/58/18/53/502581853.db2.gz VVTLNEAMLRBJGT-NEPJUHHUSA-N 1 1 365.275 3.267 20 30 FGEDMO CC(C)[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@H+]1C ZINC000488040552 502608913 /nfs/dbraw/zinc/60/89/13/502608913.db2.gz KXVFAKLPSANTSI-FQEVSTJZSA-N 1 1 352.482 3.010 20 30 FGEDMO CCOc1ccc(-c2ccc(OCC[NH+]3CCN(C)CC3)cc2)cc1C#N ZINC000592986482 506324060 /nfs/dbraw/zinc/32/40/60/506324060.db2.gz IFACBKPIQAYALD-UHFFFAOYSA-N 1 1 365.477 3.250 20 30 FGEDMO C=CCC[C@H](CC)[NH2+]c1ccc(N2CCS(=O)(=O)CC2)cc1OC ZINC000480658945 502635025 /nfs/dbraw/zinc/63/50/25/502635025.db2.gz FBBAYZANTFNBRC-HNNXBMFYSA-N 1 1 352.500 3.087 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCc1cccc(C#N)c1 ZINC000466729293 502657882 /nfs/dbraw/zinc/65/78/82/502657882.db2.gz YPVGZPIVIDXDBR-GOSISDBHSA-N 1 1 362.477 3.017 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCc1cccc(C#N)c1 ZINC000466729293 502657886 /nfs/dbraw/zinc/65/78/86/502657886.db2.gz YPVGZPIVIDXDBR-GOSISDBHSA-N 1 1 362.477 3.017 20 30 FGEDMO C=CC[N@@H+](CCOC)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000484559309 502669603 /nfs/dbraw/zinc/66/96/03/502669603.db2.gz RVBWEKFBBQOWEG-GOSISDBHSA-N 1 1 352.478 3.415 20 30 FGEDMO C=CC[N@H+](CCOC)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000484559309 502669607 /nfs/dbraw/zinc/66/96/07/502669607.db2.gz RVBWEKFBBQOWEG-GOSISDBHSA-N 1 1 352.478 3.415 20 30 FGEDMO N#Cc1cccc(OCCC[NH+]2CCN(C(=O)CC3CCCCC3)CC2)c1 ZINC000477145007 502690129 /nfs/dbraw/zinc/69/01/29/502690129.db2.gz WUUCWMMHLBGBGZ-UHFFFAOYSA-N 1 1 369.509 3.442 20 30 FGEDMO COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000466832618 502698235 /nfs/dbraw/zinc/69/82/35/502698235.db2.gz CPCGTQBVNAPBSR-UHFFFAOYSA-N 1 1 356.447 3.450 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000473841687 502719860 /nfs/dbraw/zinc/71/98/60/502719860.db2.gz GLBUDZDNMIOVFX-CBGDNZLLSA-N 1 1 360.498 3.463 20 30 FGEDMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C#N)cc1F ZINC000488485454 502728447 /nfs/dbraw/zinc/72/84/47/502728447.db2.gz YLLPEIKKIFBRRX-JLTOFOAXSA-N 1 1 362.408 3.021 20 30 FGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000484750391 502730154 /nfs/dbraw/zinc/73/01/54/502730154.db2.gz BGDJVXYMUQTISB-KRWDZBQOSA-N 1 1 365.477 3.482 20 30 FGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000477304957 502737014 /nfs/dbraw/zinc/73/70/14/502737014.db2.gz SAQXYTGKOYKYOX-FQEVSTJZSA-N 1 1 367.424 3.204 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ZINC000612561924 506626550 /nfs/dbraw/zinc/62/65/50/506626550.db2.gz NFCLPUHMMPWBQG-CABCVRRESA-N 1 1 365.437 3.302 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000603840547 506629997 /nfs/dbraw/zinc/62/99/97/506629997.db2.gz SUTJRLIZOTVKHG-LEWJYISDSA-N 1 1 368.452 3.339 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603889869 506649922 /nfs/dbraw/zinc/64/99/22/506649922.db2.gz AYNBRJXLDSYUPO-AEFFLSMTSA-N 1 1 352.482 3.355 20 30 FGEDMO COc1ccc([C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)c2ccccc2)cc1 ZINC000603892979 506652242 /nfs/dbraw/zinc/65/22/42/506652242.db2.gz MYOXUAPJYLGXBX-NRFANRHFSA-N 1 1 369.428 3.489 20 30 FGEDMO COc1ccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2)cc1 ZINC000603901443 506653530 /nfs/dbraw/zinc/65/35/30/506653530.db2.gz OBALRXSHTOJLCF-FCHUYYIVSA-N 1 1 363.461 3.183 20 30 FGEDMO N#Cc1ccncc1N1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000590012075 506706318 /nfs/dbraw/zinc/70/63/18/506706318.db2.gz 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C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609110092 506778606 /nfs/dbraw/zinc/77/86/06/506778606.db2.gz XOYGDFSOAHCYNH-XLIONFOSSA-N 1 1 368.525 3.154 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC1(C#N)CC1 ZINC000590312585 506790494 /nfs/dbraw/zinc/79/04/94/506790494.db2.gz GVNWYRHTJUPTHX-APWZRJJASA-N 1 1 354.498 3.143 20 30 FGEDMO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC1(C#N)CC1 ZINC000590312585 506790503 /nfs/dbraw/zinc/79/05/03/506790503.db2.gz GVNWYRHTJUPTHX-APWZRJJASA-N 1 1 354.498 3.143 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000590420990 506818777 /nfs/dbraw/zinc/81/87/77/506818777.db2.gz RKYNVUUAXYKSAA-QFIPXVFZSA-N 1 1 361.489 3.471 20 30 FGEDMO CN(C(=O)C[N@@H+]1CCCO[C@H](c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000609233695 506822303 /nfs/dbraw/zinc/82/23/03/506822303.db2.gz GUDMQKZRRWOYLF-IBGZPJMESA-N 1 1 355.482 3.135 20 30 FGEDMO CN(C(=O)C[N@H+]1CCCO[C@H](c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000609233695 506822305 /nfs/dbraw/zinc/82/23/05/506822305.db2.gz GUDMQKZRRWOYLF-IBGZPJMESA-N 1 1 355.482 3.135 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000604473455 506841075 /nfs/dbraw/zinc/84/10/75/506841075.db2.gz SQPAEIRUIQLTJA-XMSQKQJNSA-N 1 1 371.525 3.153 20 30 FGEDMO CC(C)(C)OC(=O)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCC1 ZINC000594055444 506911000 /nfs/dbraw/zinc/91/10/00/506911000.db2.gz KZLHKEHUGMETSB-UHFFFAOYSA-N 1 1 357.454 3.083 20 30 FGEDMO CC(C)(C)OC(=O)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCC1 ZINC000594055444 506911005 /nfs/dbraw/zinc/91/10/05/506911005.db2.gz KZLHKEHUGMETSB-UHFFFAOYSA-N 1 1 357.454 3.083 20 30 FGEDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000609549051 506919570 /nfs/dbraw/zinc/91/95/70/506919570.db2.gz AYRTZSXMSHUFJF-UHFFFAOYSA-N 1 1 360.417 3.480 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](CNc2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000609560766 506922754 /nfs/dbraw/zinc/92/27/54/506922754.db2.gz RMTMGJJPVFBQPC-CYBMUJFWSA-N 1 1 360.408 3.272 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000609564627 506923890 /nfs/dbraw/zinc/92/38/90/506923890.db2.gz FOCPHANMTAREKF-FQEVSTJZSA-N 1 1 355.869 3.063 20 30 FGEDMO CC[C@H](C#N)N(C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000594086751 506932747 /nfs/dbraw/zinc/93/27/47/506932747.db2.gz BKEFKLXNFBMBPJ-MRXNPFEDSA-N 1 1 352.482 3.168 20 30 FGEDMO N#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1Cl ZINC000609595883 506937969 /nfs/dbraw/zinc/93/79/69/506937969.db2.gz LMOYFLZWDHWMOU-VQIMIIECSA-N 1 1 368.868 3.328 20 30 FGEDMO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000609641111 506958218 /nfs/dbraw/zinc/95/82/18/506958218.db2.gz TXMRPABYPHULJL-SFHVURJKSA-N 1 1 354.841 3.174 20 30 FGEDMO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000583784086 506969191 /nfs/dbraw/zinc/96/91/91/506969191.db2.gz MMSCHIPUDBUUCZ-INIZCTEOSA-N 1 1 350.340 3.409 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000609681725 506974529 /nfs/dbraw/zinc/97/45/29/506974529.db2.gz ULMIVBDWWZICDD-TZIWHRDSSA-N 1 1 368.502 3.282 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594202876 507006076 /nfs/dbraw/zinc/00/60/76/507006076.db2.gz UGYFVXJYUJOIPC-NSHGMRRFSA-N 1 1 355.482 3.095 20 30 FGEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597579014 507016828 /nfs/dbraw/zinc/01/68/28/507016828.db2.gz LBORNSXEKFHJNC-HZPDHXFCSA-N 1 1 357.454 3.340 20 30 FGEDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000597605693 507027758 /nfs/dbraw/zinc/02/77/58/507027758.db2.gz ROLBWLNYIBSOTL-QGZVFWFLSA-N 1 1 367.449 3.287 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594248065 507042093 /nfs/dbraw/zinc/04/20/93/507042093.db2.gz JKSAGBGBKXVZEW-ZCNNSNEGSA-N 1 1 352.482 3.252 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000609916328 507048002 /nfs/dbraw/zinc/04/80/02/507048002.db2.gz JQPOFFYZVLBPEB-AEFFLSMTSA-N 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N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595791509 507688404 /nfs/dbraw/zinc/68/84/04/507688404.db2.gz VANJPRORXBAJLH-QAPCUYQASA-N 1 1 361.873 3.431 20 30 FGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000602456320 507715861 /nfs/dbraw/zinc/71/58/61/507715861.db2.gz XNRIWPRZPLVTLA-HNNXBMFYSA-N 1 1 367.428 3.126 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)C1 ZINC000587978332 507723438 /nfs/dbraw/zinc/72/34/38/507723438.db2.gz PLFLZGRVBPHJDI-LSDHHAIUSA-N 1 1 357.458 3.139 20 30 FGEDMO CC[N@@H+](CCOc1ccccc1OC)CCC(=O)Nc1sccc1C#N ZINC000595876994 507723863 /nfs/dbraw/zinc/72/38/63/507723863.db2.gz GJURHKMTCFSVIF-UHFFFAOYSA-N 1 1 373.478 3.358 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909787 507736957 /nfs/dbraw/zinc/73/69/57/507736957.db2.gz NPNCGVPTJNAHCZ-BGYRXZFFSA-N 1 1 371.506 3.133 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909787 507736961 /nfs/dbraw/zinc/73/69/61/507736961.db2.gz NPNCGVPTJNAHCZ-BGYRXZFFSA-N 1 1 371.506 3.133 20 30 FGEDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1c(C#N)cnc2ccc(Cl)cc21 ZINC000588070190 507751877 /nfs/dbraw/zinc/75/18/77/507751877.db2.gz MAPNFPPLQZSFGQ-CZUORRHYSA-N 1 1 356.857 3.059 20 30 FGEDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000588070147 507752029 /nfs/dbraw/zinc/75/20/29/507752029.db2.gz CUHIRYXSADKDJC-OCCSQVGLSA-N 1 1 374.847 3.198 20 30 FGEDMO COCC[N@H+]1CCC[C@@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000479978378 561200437 /nfs/dbraw/zinc/20/04/37/561200437.db2.gz XCCLXPWRKKYKCO-MRXNPFEDSA-N 1 1 367.497 3.007 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330265012 568032797 /nfs/dbraw/zinc/03/27/97/568032797.db2.gz YQGUDLGTORTTHN-SJLPKXTDSA-N 1 1 373.472 3.209 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1cccc(Cl)c1 ZINC000819745887 599565979 /nfs/dbraw/zinc/56/59/79/599565979.db2.gz SXPRNIIPFSRROW-GOSISDBHSA-N 1 1 369.856 3.242 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(C(=O)C=Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000822477576 607460297 /nfs/dbraw/zinc/46/02/97/607460297.db2.gz MRTUELCCOGHWFS-TWGQIWQCSA-N 1 1 374.379 3.396 20 30 FGEDMO C[C@@H](CC[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000827412922 601348352 /nfs/dbraw/zinc/34/83/52/601348352.db2.gz VCOSWXAXXOEXSV-JXFKEZNVSA-N 1 1 351.450 3.184 20 30 FGEDMO C[C@@H](CC[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000827412922 601348354 /nfs/dbraw/zinc/34/83/54/601348354.db2.gz VCOSWXAXXOEXSV-JXFKEZNVSA-N 1 1 351.450 3.184 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(C(=O)C=Cc2cc(-c3nn[nH]n3)cs2)cc1 ZINC000822479235 606339685 /nfs/dbraw/zinc/33/96/85/606339685.db2.gz YGWDECPBWDVVEF-VOTSOKGWSA-N 1 1 362.418 3.318 20 30 FGEDMO C#CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1Br)C1CCCC1 ZINC000823844689 609363361 /nfs/dbraw/zinc/36/33/61/609363361.db2.gz GQSWZNZBUINJRQ-UHFFFAOYSA-N 1 1 360.259 3.007 20 30 FGEDMO Cc1cc(C)c(NC(=O)CON=C(N)C[N@@H+]2CCCC[C@H]2C)c(Cl)c1 ZINC000111179308 700546517 /nfs/dbraw/zinc/54/65/17/700546517.db2.gz ISZGQMALGFCWLB-CQSZACIVSA-N 1 1 366.893 3.059 20 30 FGEDMO C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccc(Cl)nc1 ZINC000131564211 700816926 /nfs/dbraw/zinc/81/69/26/700816926.db2.gz PLDVGHSTGDZLSU-NSHDSACASA-N 1 1 356.854 3.027 20 30 FGEDMO C[C@H]1CCCC[N@@H+]1CC(N)=NOCc1nnc(-c2ccccc2Cl)o1 ZINC000132204433 700825133 /nfs/dbraw/zinc/82/51/33/700825133.db2.gz LYSSIPGVQNGLAZ-LBPRGKRZSA-N 1 1 363.849 3.053 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1nnc(-c2ccccc2Cl)o1 ZINC000132204433 700825135 /nfs/dbraw/zinc/82/51/35/700825135.db2.gz LYSSIPGVQNGLAZ-LBPRGKRZSA-N 1 1 363.849 3.053 20 30 FGEDMO C=C(Br)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175454453 705547757 /nfs/dbraw/zinc/54/77/57/705547757.db2.gz UKYMPINKORSAIS-GOEBONIOSA-N 1 1 366.303 3.247 20 30 FGEDMO CC[NH+]1CCN(c2ccc(C(=O)Nc3sccc3C#N)cc2F)CC1 ZINC000194387169 713520694 /nfs/dbraw/zinc/52/06/94/713520694.db2.gz UGRJSJAXADTLRJ-UHFFFAOYSA-N 1 1 358.442 3.153 20 30 FGEDMO CC(C)c1nc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000263183144 713739388 /nfs/dbraw/zinc/73/93/88/713739388.db2.gz UOBFNMKWKRGQBJ-VIFPVBQESA-N 1 1 355.273 3.400 20 30 FGEDMO CC[N@H+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000619666891 714860638 /nfs/dbraw/zinc/86/06/38/714860638.db2.gz ZPDRZMBCJZOGPV-NSHDSACASA-N 1 1 356.348 3.015 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(OCCCOC)CC1 ZINC000779157624 724396598 /nfs/dbraw/zinc/39/65/98/724396598.db2.gz GNVDEIWEVIQKSN-UHFFFAOYSA-N 1 1 351.874 3.370 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000779147616 724395444 /nfs/dbraw/zinc/39/54/44/724395444.db2.gz GQEVQBCGTRXDGY-UHFFFAOYSA-N 1 1 356.853 3.230 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000779147616 724395447 /nfs/dbraw/zinc/39/54/47/724395447.db2.gz GQEVQBCGTRXDGY-UHFFFAOYSA-N 1 1 356.853 3.230 20 30 FGEDMO C[C@@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCCC[C@@H]1C ZINC000790298857 723124529 /nfs/dbraw/zinc/12/45/29/723124529.db2.gz FKKNRNCDTFZNIJ-GJZGRUSLSA-N 1 1 352.400 3.436 20 30 FGEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc3cccc(C)c3s2)CC1 ZINC000645522010 718219903 /nfs/dbraw/zinc/21/99/03/718219903.db2.gz QOQBPANIJDTEEC-UHFFFAOYSA-N 1 1 350.509 3.138 20 30 FGEDMO N#Cc1cc(Cl)cc(Br)c1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804396173 724511619 /nfs/dbraw/zinc/51/16/19/724511619.db2.gz CWPLAAUUHMXSLJ-STQMWFEESA-N 1 1 370.678 3.249 20 30 FGEDMO Cc1ccc(CNC(=S)Nc2ccccc2C#N)c(N2CCCC2)[nH+]1 ZINC000781108693 724528665 /nfs/dbraw/zinc/52/86/65/724528665.db2.gz DRFOAJQUMSQHPZ-UHFFFAOYSA-N 1 1 351.479 3.349 20 30 FGEDMO C=CCCn1cc(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nn1 ZINC000653482686 719046653 /nfs/dbraw/zinc/04/66/53/719046653.db2.gz ARPLYYSFRYCBQJ-UHFFFAOYSA-N 1 1 359.905 3.216 20 30 FGEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)nn1 ZINC000653598059 719063749 /nfs/dbraw/zinc/06/37/49/719063749.db2.gz KTIQAOVTUHQISC-LBPRGKRZSA-N 1 1 365.275 3.476 20 30 FGEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)cc(C#N)n1)CC2 ZINC001164649640 719310146 /nfs/dbraw/zinc/31/01/46/719310146.db2.gz PWBLPQDZWYQSIW-UHFFFAOYSA-N 1 1 358.877 3.008 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccc(Br)cc1 ZINC000662082029 720373400 /nfs/dbraw/zinc/37/34/00/720373400.db2.gz WOZDABGRXGXDSM-XHSDSOJGSA-N 1 1 352.272 3.372 20 30 FGEDMO N#CCc1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)c1 ZINC001164723494 720466814 /nfs/dbraw/zinc/46/68/14/720466814.db2.gz CGTNGIBSYMKJOP-QZTJIDSGSA-N 1 1 353.857 3.049 20 30 FGEDMO N#CCc1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(Cl)c1 ZINC001164723494 720466820 /nfs/dbraw/zinc/46/68/20/720466820.db2.gz CGTNGIBSYMKJOP-QZTJIDSGSA-N 1 1 353.857 3.049 20 30 FGEDMO Cc1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c(Cl)cc1C#N ZINC001164732285 720479285 /nfs/dbraw/zinc/47/92/85/720479285.db2.gz ZABIKJSYJFNPER-ROUUACIJSA-N 1 1 353.857 3.163 20 30 FGEDMO Cc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(Cl)cc1C#N ZINC001164732285 720479292 /nfs/dbraw/zinc/47/92/92/720479292.db2.gz ZABIKJSYJFNPER-ROUUACIJSA-N 1 1 353.857 3.163 20 30 FGEDMO C=CCN(C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H](C)COC ZINC000663874025 720565768 /nfs/dbraw/zinc/56/57/68/720565768.db2.gz IISYIDGLPPGMNE-IRXDYDNUSA-N 1 1 365.543 3.193 20 30 FGEDMO C=CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H](C)COC ZINC000664547462 720655478 /nfs/dbraw/zinc/65/54/78/720655478.db2.gz XGHZYLBXBOGHAD-QGTPRVQTSA-N 1 1 365.905 3.318 20 30 FGEDMO C=CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H](C)COC ZINC000664547462 720655481 /nfs/dbraw/zinc/65/54/81/720655481.db2.gz XGHZYLBXBOGHAD-QGTPRVQTSA-N 1 1 365.905 3.318 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)cc(C#N)n1)[C@H]2C ZINC001164859370 720950879 /nfs/dbraw/zinc/95/08/79/720950879.db2.gz NFRSJLKEUHCJGW-ZDUSSCGKSA-N 1 1 358.877 3.225 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc(CC#N)cc1Cl)[C@@H]2C ZINC001164862933 721014581 /nfs/dbraw/zinc/01/45/81/721014581.db2.gz RSSFDVADCMJJDV-CQSZACIVSA-N 1 1 372.904 3.419 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc(F)cc3C#N)C[C@@H]21 ZINC001165019523 721804201 /nfs/dbraw/zinc/80/42/01/721804201.db2.gz CQCIJMCVJKNKKG-RYGJVYDSSA-N 1 1 365.456 3.224 20 30 FGEDMO Cc1ccc2nc(N3CC[NH+](C[C@H]4CCCO4)CC3)c(C#N)c(Cl)c2c1 ZINC001165043509 721926614 /nfs/dbraw/zinc/92/66/14/721926614.db2.gz KTMCPMZNZPQTTQ-OAHLLOKOSA-N 1 1 370.884 3.369 20 30 FGEDMO C#CC[N@@H+](C[C@@H]1CCOC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195305 722493703 /nfs/dbraw/zinc/49/37/03/722493703.db2.gz JJMJOUTYQMWODQ-BBRMVZONSA-N 1 1 350.256 3.244 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000735364696 722515893 /nfs/dbraw/zinc/51/58/93/722515893.db2.gz ZTONDPDSZSCRPR-OAHLLOKOSA-N 1 1 361.873 3.077 20 30 FGEDMO C=C(Cl)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000735925341 722520359 /nfs/dbraw/zinc/52/03/59/722520359.db2.gz DEODCDIWGNSQJL-UHFFFAOYSA-N 1 1 367.614 3.151 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000741792350 722549148 /nfs/dbraw/zinc/54/91/48/722549148.db2.gz OJVVKXKNZFWEQJ-LJQANCHMSA-N 1 1 350.478 3.242 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cn2c3ccc(Cl)cc3oc2=S)CC1 ZINC000747796912 722660900 /nfs/dbraw/zinc/66/09/00/722660900.db2.gz ZWKRISZXQDCOHO-UHFFFAOYSA-N 1 1 363.870 3.036 20 30 FGEDMO Clc1cc(Br)ccc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753937583 722919074 /nfs/dbraw/zinc/91/90/74/722919074.db2.gz DUHVNDWKDLVGTO-CHWSQXEVSA-N 1 1 355.667 3.296 20 30 FGEDMO C#C[C@H](CCC)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000791744962 723277082 /nfs/dbraw/zinc/27/70/82/723277082.db2.gz FBZIMSBSJBBYRK-SJLPKXTDSA-N 1 1 352.400 3.359 20 30 FGEDMO C#CCN(CC)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000763091568 723311343 /nfs/dbraw/zinc/31/13/43/723311343.db2.gz MHPIYESABXCVMA-WMLDXEAASA-N 1 1 351.853 3.137 20 30 FGEDMO C[C@@]12CC[N@@H+](CCC(=O)Nc3sccc3C#N)C[C@@H]1C2(Cl)Cl ZINC000792899892 723379179 /nfs/dbraw/zinc/37/91/79/723379179.db2.gz CHLQSUAJBUFYNB-SMDDNHRTSA-N 1 1 358.294 3.464 20 30 FGEDMO C#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)c1ccc(Cl)cc1 ZINC000794068988 723487703 /nfs/dbraw/zinc/48/77/03/723487703.db2.gz GYJYUDSZPANUKA-MOPGFXCFSA-N 1 1 353.853 3.190 20 30 FGEDMO C#C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)c1ccc(Cl)cc1 ZINC000794068988 723487705 /nfs/dbraw/zinc/48/77/05/723487705.db2.gz GYJYUDSZPANUKA-MOPGFXCFSA-N 1 1 353.853 3.190 20 30 FGEDMO C#CC[N@@H+](CCn1ccnc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766244300 723564349 /nfs/dbraw/zinc/56/43/49/723564349.db2.gz UAMJOSCYNCTOMC-MRXNPFEDSA-N 1 1 360.255 3.105 20 30 FGEDMO C#CC[N@H+](CCn1ccnc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766244300 723564350 /nfs/dbraw/zinc/56/43/50/723564350.db2.gz UAMJOSCYNCTOMC-MRXNPFEDSA-N 1 1 360.255 3.105 20 30 FGEDMO C#C[C@H](C)N(C)Cn1nc([C@@H](C)[NH+](C)C)n(-c2ccc(F)cc2)c1=S ZINC000766665100 723585702 /nfs/dbraw/zinc/58/57/02/723585702.db2.gz FUAZKKWULVJLLS-UONOGXRCSA-N 1 1 361.490 3.076 20 30 FGEDMO Cn1c(CC#N)nn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1=S ZINC000795679233 723605645 /nfs/dbraw/zinc/60/56/45/723605645.db2.gz JBJSYQLWUBJYQI-BBWFWOEESA-N 1 1 353.495 3.243 20 30 FGEDMO Cn1c(CC#N)nn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1=S ZINC000795679233 723605647 /nfs/dbraw/zinc/60/56/47/723605647.db2.gz JBJSYQLWUBJYQI-BBWFWOEESA-N 1 1 353.495 3.243 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767137197 723608295 /nfs/dbraw/zinc/60/82/95/723608295.db2.gz XSNQXCCGSUYHHH-RDJZCZTQSA-N 1 1 350.384 3.119 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767137197 723608297 /nfs/dbraw/zinc/60/82/97/723608297.db2.gz XSNQXCCGSUYHHH-RDJZCZTQSA-N 1 1 350.384 3.119 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000796383906 723635707 /nfs/dbraw/zinc/63/57/07/723635707.db2.gz LKGOJMOMBQNJNX-UHFFFAOYSA-N 1 1 350.459 3.017 20 30 FGEDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000796709559 723651353 /nfs/dbraw/zinc/65/13/53/723651353.db2.gz LPQYLWVCIPJAID-KRWDZBQOSA-N 1 1 351.491 3.076 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1cccc(Br)c1OC(F)F)[C@H]1CCCO1 ZINC000775789981 724061537 /nfs/dbraw/zinc/06/15/37/724061537.db2.gz OENNHTSQAHGYSG-CHWSQXEVSA-N 1 1 360.198 3.321 20 30 FGEDMO C#C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000775800993 724063728 /nfs/dbraw/zinc/06/37/28/724063728.db2.gz RHOXZHAORFLNOM-TZMCWYRMSA-N 1 1 360.763 3.068 20 30 FGEDMO CCCCCCCS(=O)(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000799796535 724097784 /nfs/dbraw/zinc/09/77/84/724097784.db2.gz ILCKMOBIBZOKMH-UHFFFAOYSA-N 1 1 353.532 3.380 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]CCNC(=O)c1cccc(C)c1 ZINC000778159436 724305167 /nfs/dbraw/zinc/30/51/67/724305167.db2.gz MCXHMQNXGOCXBJ-UHFFFAOYSA-N 1 1 356.853 3.180 20 30 FGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784486448 724857415 /nfs/dbraw/zinc/85/74/15/724857415.db2.gz ORBYTERRRRGQHC-ZFWWWQNUSA-N 1 1 353.388 3.255 20 30 FGEDMO 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C[C@H]1C(=NNC(=S)NCC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814822451 727003654 /nfs/dbraw/zinc/00/36/54/727003654.db2.gz NQYMSKIDVZJASG-LBPRGKRZSA-N 1 1 358.433 3.053 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000815030927 727023210 /nfs/dbraw/zinc/02/32/10/727023210.db2.gz UUGFAEHSBQXPLZ-IRXDYDNUSA-N 1 1 351.491 3.028 20 30 FGEDMO C#CCNC(=O)CC[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000815075414 727032475 /nfs/dbraw/zinc/03/24/75/727032475.db2.gz ZLFQGNFIAMOEFM-UHFFFAOYSA-N 1 1 363.299 3.333 20 30 FGEDMO N#CCCOCC[N@@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000815121136 727040981 /nfs/dbraw/zinc/04/09/81/727040981.db2.gz XHMRHWPORDXDMC-NVXWUHKLSA-N 1 1 367.287 3.125 20 30 FGEDMO COc1ccc(Cc2noc([C@@H]([NH3+])CCCC#N)n2)c(Cl)c1OC ZINC000822946594 729235078 /nfs/dbraw/zinc/23/50/78/729235078.db2.gz FSAVPYMHYHZNIN-NSHDSACASA-N 1 1 350.806 3.025 20 30 FGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000825294250 729377452 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C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl)C(=O)N(C)CCC#N ZINC000856780203 732059821 /nfs/dbraw/zinc/05/98/21/732059821.db2.gz FSDYXBMFQLZZFS-VHSXEESVSA-N 1 1 362.783 3.165 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000859137965 732282091 /nfs/dbraw/zinc/28/20/91/732282091.db2.gz AKJRIIMAWCSGFT-YJBOKZPZSA-N 1 1 350.409 3.173 20 30 FGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CCCOCc2ccc(OC)cc2)no1 ZINC000872177878 735600932 /nfs/dbraw/zinc/60/09/32/735600932.db2.gz OWJBWJWQXGLWMG-OAHLLOKOSA-N 1 1 351.834 3.370 20 30 FGEDMO C=CCn1c(-c2ccco2)nn(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)c1=S ZINC000872738398 735668944 /nfs/dbraw/zinc/66/89/44/735668944.db2.gz KANGXDMCLMDDPS-OAHLLOKOSA-N 1 1 361.515 3.090 20 30 FGEDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC[C@@H]21 ZINC000878820021 736922231 /nfs/dbraw/zinc/92/22/31/736922231.db2.gz JTNVGCBHRHULLS-DOMZBBRYSA-N 1 1 352.360 3.135 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CCC1 ZINC000886240905 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FGEDMO COc1cc(C#N)ccc1OCCCC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000063722536 494079875 /nfs/dbraw/zinc/07/98/75/494079875.db2.gz IFZXPZPBMRFXIM-UHFFFAOYSA-N 1 1 373.497 3.059 20 30 FGEDMO C=CCc1cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc(OC)c1OC ZINC000063724510 494080254 /nfs/dbraw/zinc/08/02/54/494080254.db2.gz CIBUIWBCVHZGPN-UHFFFAOYSA-N 1 1 360.498 3.379 20 30 FGEDMO COc1cc(C)sc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000071101506 494087580 /nfs/dbraw/zinc/08/75/80/494087580.db2.gz YISQXJRROGNREV-UHFFFAOYSA-N 1 1 369.490 3.285 20 30 FGEDMO COc1cc(C)sc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000071101506 494087583 /nfs/dbraw/zinc/08/75/83/494087583.db2.gz YISQXJRROGNREV-UHFFFAOYSA-N 1 1 369.490 3.285 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c(C(F)(F)F)c1 ZINC000574127109 505699128 /nfs/dbraw/zinc/69/91/28/505699128.db2.gz LHNFKQHGYFIWAA-QGZVFWFLSA-N 1 1 367.415 3.264 20 30 FGEDMO C[C@@H](CNC(=O)Nc1ccc(F)c(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000077498786 494097452 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FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)c1C ZINC000065252698 494183048 /nfs/dbraw/zinc/18/30/48/494183048.db2.gz LDLBIJGOXBIXPG-VQIMIIECSA-N 1 1 373.541 3.490 20 30 FGEDMO C=CC[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccc(OC)cc1 ZINC000054272340 494214683 /nfs/dbraw/zinc/21/46/83/494214683.db2.gz JQYQOMIGMWYDTE-UHFFFAOYSA-N 1 1 353.422 3.032 20 30 FGEDMO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccc(OC)cc1 ZINC000054272340 494214689 /nfs/dbraw/zinc/21/46/89/494214689.db2.gz JQYQOMIGMWYDTE-UHFFFAOYSA-N 1 1 353.422 3.032 20 30 FGEDMO CC(C)(CNC(=O)NCc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000042321569 494215866 /nfs/dbraw/zinc/21/58/66/494215866.db2.gz KGLPANCXSFQJTD-UHFFFAOYSA-N 1 1 362.477 3.194 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000042564137 494225977 /nfs/dbraw/zinc/22/59/77/494225977.db2.gz QNJSJSJJTBQBAX-ROUUACIJSA-N 1 1 357.498 3.150 20 30 FGEDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000072860169 494268887 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494494689 /nfs/dbraw/zinc/49/46/89/494494689.db2.gz OYONUEFWMQGNPZ-UHFFFAOYSA-N 1 1 362.477 3.123 20 30 FGEDMO CCN(C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000046087039 494494694 /nfs/dbraw/zinc/49/46/94/494494694.db2.gz OYONUEFWMQGNPZ-UHFFFAOYSA-N 1 1 362.477 3.123 20 30 FGEDMO N#Cc1ccnc(N2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)c1 ZINC000046511038 494534147 /nfs/dbraw/zinc/53/41/47/494534147.db2.gz BFTPXEWUYFDIAL-UHFFFAOYSA-N 1 1 363.852 3.477 20 30 FGEDMO COc1ccc(CN(C)C(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1F ZINC000046518768 494535400 /nfs/dbraw/zinc/53/54/00/494535400.db2.gz BJFADXDGRHQQAJ-HNNXBMFYSA-N 1 1 369.440 3.185 20 30 FGEDMO COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1F ZINC000046518768 494535403 /nfs/dbraw/zinc/53/54/03/494535403.db2.gz BJFADXDGRHQQAJ-HNNXBMFYSA-N 1 1 369.440 3.185 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)CNc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000079945038 494553881 /nfs/dbraw/zinc/55/38/81/494553881.db2.gz ZFOHFZQPWRFBEJ-LAUBAEHRSA-N 1 1 362.477 3.139 20 30 FGEDMO C=CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574243457 505728554 /nfs/dbraw/zinc/72/85/54/505728554.db2.gz QWGWUWWMWGZLCO-IBGZPJMESA-N 1 1 374.492 3.237 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000115751695 494609655 /nfs/dbraw/zinc/60/96/55/494609655.db2.gz KOWTUYLDHBYVSN-APWZRJJASA-N 1 1 358.486 3.011 20 30 FGEDMO C=CCC[C@H](NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000126030814 494613865 /nfs/dbraw/zinc/61/38/65/494613865.db2.gz DOCILSDOEWNCSH-SFTDATJTSA-N 1 1 372.557 3.265 20 30 FGEDMO C=CCNC(=O)c1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000080230862 494643719 /nfs/dbraw/zinc/64/37/19/494643719.db2.gz BBXJHCQVTLRORS-XLIONFOSSA-N 1 1 364.493 3.462 20 30 FGEDMO CC(C)N1CC[C@@H]([NH2+]Cc2ncc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574261524 505733341 /nfs/dbraw/zinc/73/33/41/505733341.db2.gz HPFSDVXDNXKCDZ-MJGOQNOKSA-N 1 1 373.863 3.454 20 30 FGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000574264899 505733600 /nfs/dbraw/zinc/73/36/00/505733600.db2.gz QXMDRKCKVWLFQX-SFTDATJTSA-N 1 1 369.896 3.126 20 30 FGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000075023079 494676279 /nfs/dbraw/zinc/67/62/79/494676279.db2.gz XHHFHSMVXPEBMA-YOEHRIQHSA-N 1 1 360.502 3.072 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000108374026 494692828 /nfs/dbraw/zinc/69/28/28/494692828.db2.gz URZKYTBHJCPSLL-CVEARBPZSA-N 1 1 361.511 3.378 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCCCC)C2)cc1OC ZINC000092710351 494724199 /nfs/dbraw/zinc/72/41/99/494724199.db2.gz MGOJMDOWSUXQKF-GOSISDBHSA-N 1 1 360.498 3.388 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C2(C#N)CCCCC2)C[C@H](C)O1 ZINC000057388717 494731135 /nfs/dbraw/zinc/73/11/35/494731135.db2.gz XVBWBBNXGPRWIJ-ROUUACIJSA-N 1 1 369.509 3.386 20 30 FGEDMO N#CCCCOc1cccc(C[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000092789537 494749746 /nfs/dbraw/zinc/74/97/46/494749746.db2.gz MWLWRRMMIRNULM-UHFFFAOYSA-N 1 1 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Cc1cc(C)cc([C@@H]2CC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000183468250 495997319 /nfs/dbraw/zinc/99/73/19/495997319.db2.gz JNSACLCWQMZZHR-LJQANCHMSA-N 1 1 368.502 3.438 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000580703655 505818931 /nfs/dbraw/zinc/81/89/31/505818931.db2.gz HHTHVMUASJSGOG-QUCCMNQESA-N 1 1 352.482 3.252 20 30 FGEDMO COc1ccc2cc(C[N@H+]3CCN(c4nccnc4C#N)C[C@H]3C)ccc2c1 ZINC000180585760 496055589 /nfs/dbraw/zinc/05/55/89/496055589.db2.gz JPPGVIGFTVSDLJ-MRXNPFEDSA-N 1 1 373.460 3.221 20 30 FGEDMO Cn1cc(C[N@H+]2CCCN(c3ccccn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000183819062 496126210 /nfs/dbraw/zinc/12/62/10/496126210.db2.gz PRKRGBWKZJGELU-UHFFFAOYSA-N 1 1 372.476 3.066 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CC[N@@H+](C)C1CC1 ZINC000186744214 496132408 /nfs/dbraw/zinc/13/24/08/496132408.db2.gz DALNNWINBAYJAN-OAHLLOKOSA-N 1 1 360.527 3.045 20 30 FGEDMO CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000174868892 496141446 /nfs/dbraw/zinc/14/14/46/496141446.db2.gz FEKURMYSKKMXEH-GOSISDBHSA-N 1 1 371.525 3.490 20 30 FGEDMO CC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@@H]1c1ccccc1 ZINC000174884883 496149086 /nfs/dbraw/zinc/14/90/86/496149086.db2.gz FIHZAIBPYSFHMP-QUCCMNQESA-N 1 1 352.482 3.158 20 30 FGEDMO Cc1cnc(C(C)(C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000183933047 496167107 /nfs/dbraw/zinc/16/71/07/496167107.db2.gz SKTVSYFEOZBXFK-MRXNPFEDSA-N 1 1 354.479 3.344 20 30 FGEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000177731063 496176391 /nfs/dbraw/zinc/17/63/91/496176391.db2.gz JJKLVMKMRJRSEM-WZQKQDCOSA-N 1 1 369.490 3.317 20 30 FGEDMO CC[NH+]1CCN(c2ccc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)cc2F)CC1 ZINC000172308497 496248179 /nfs/dbraw/zinc/24/81/79/496248179.db2.gz WONMFRWBWKEPIE-IERDGZPVSA-N 1 1 372.488 3.170 20 30 FGEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000161849099 496248884 /nfs/dbraw/zinc/24/88/84/496248884.db2.gz WTAZFZMXYZUQHN-CQSZACIVSA-N 1 1 363.483 3.004 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000172434882 496296359 /nfs/dbraw/zinc/29/63/59/496296359.db2.gz PCTQZUMNLXSMJS-NRFANRHFSA-N 1 1 358.526 3.105 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CNc1cccc(C#N)c1 ZINC000162107249 496296983 /nfs/dbraw/zinc/29/69/83/496296983.db2.gz AQWUCANAXKGRGS-GOSISDBHSA-N 1 1 362.477 3.093 20 30 FGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)cc1F ZINC000172463133 496306865 /nfs/dbraw/zinc/30/68/65/496306865.db2.gz FIPBYSPKYTYOKG-INIZCTEOSA-N 1 1 366.440 3.113 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)cc1F ZINC000172463133 496306872 /nfs/dbraw/zinc/30/68/72/496306872.db2.gz FIPBYSPKYTYOKG-INIZCTEOSA-N 1 1 366.440 3.113 20 30 FGEDMO CC[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000172527499 496328865 /nfs/dbraw/zinc/32/88/65/496328865.db2.gz YZAZQXVMCKEZQQ-MRXNPFEDSA-N 1 1 372.490 3.424 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000153042592 496334668 /nfs/dbraw/zinc/33/46/68/496334668.db2.gz FTBCDJRLXJTWET-NLWGTHIKSA-N 1 1 355.482 3.131 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000184345650 496343673 /nfs/dbraw/zinc/34/36/73/496343673.db2.gz YWZORAQFNQWPTK-UTKZUKDTSA-N 1 1 362.477 3.220 20 30 FGEDMO N#Cc1cc(C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c[nH]1 ZINC000181362154 496366741 /nfs/dbraw/zinc/36/67/41/496366741.db2.gz XHUDOTQBJREATD-UHFFFAOYSA-N 1 1 368.440 3.414 20 30 FGEDMO C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157023330 496388223 /nfs/dbraw/zinc/38/82/23/496388223.db2.gz AVNFYRRCKFDVOX-TZIWHRDSSA-N 1 1 357.542 3.396 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccc(C#N)c1 ZINC000175442087 496393570 /nfs/dbraw/zinc/39/35/70/496393570.db2.gz SIYLCTPDXXAIBY-NRFANRHFSA-N 1 1 362.477 3.222 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184537652 496429430 /nfs/dbraw/zinc/42/94/30/496429430.db2.gz NBAWMARFRGOGSL-CABCVRRESA-N 1 1 356.495 3.469 20 30 FGEDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181569536 496450399 /nfs/dbraw/zinc/45/03/99/496450399.db2.gz PMIXGFBXBCWIJD-HSALFYBXSA-N 1 1 368.569 3.479 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000157397195 496469741 /nfs/dbraw/zinc/46/97/41/496469741.db2.gz JBDGLCMDCVYPMR-SFHVURJKSA-N 1 1 374.916 3.491 20 30 FGEDMO N#Cc1ccc(NC(=O)CCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000157397195 496469744 /nfs/dbraw/zinc/46/97/44/496469744.db2.gz JBDGLCMDCVYPMR-SFHVURJKSA-N 1 1 374.916 3.491 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C3CCOCC3)CC2)c(C#N)c1C ZINC000153583581 496506231 /nfs/dbraw/zinc/50/62/31/496506231.db2.gz NJHWKMWXSNBZOA-CQSZACIVSA-N 1 1 359.470 3.234 20 30 FGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000157618601 496516834 /nfs/dbraw/zinc/51/68/34/496516834.db2.gz DYFDXQKVIGMQEX-INIZCTEOSA-N 1 1 351.454 3.097 20 30 FGEDMO CC(C)OC(=O)C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000181824637 496561367 /nfs/dbraw/zinc/56/13/67/496561367.db2.gz FETNYBJKWIIYCI-SFHVURJKSA-N 1 1 371.481 3.002 20 30 FGEDMO C=C(C)[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(F)c1 ZINC000187793657 496574668 /nfs/dbraw/zinc/57/46/68/496574668.db2.gz YAAYLKFEMMDMNX-WMZOPIPTSA-N 1 1 360.408 3.101 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(C)(C)O ZINC000158129939 496634391 /nfs/dbraw/zinc/63/43/91/496634391.db2.gz FMLQEHMPPCFXNV-ZDUSSCGKSA-N 1 1 363.527 3.166 20 30 FGEDMO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000574789482 505856220 /nfs/dbraw/zinc/85/62/20/505856220.db2.gz TWSCKJSCRAHFBG-HXUWFJFHSA-N 1 1 371.506 3.365 20 30 FGEDMO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000574789482 505856226 /nfs/dbraw/zinc/85/62/26/505856226.db2.gz TWSCKJSCRAHFBG-HXUWFJFHSA-N 1 1 371.506 3.365 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+](C[C@H]2CCOC2)C2CC2)sc2c1CCCC2 ZINC000164863906 496635871 /nfs/dbraw/zinc/63/58/71/496635871.db2.gz KECOTBSPXPQYFA-CQSZACIVSA-N 1 1 373.522 3.328 20 30 FGEDMO Cn1cc(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1C#N ZINC000191368592 496739506 /nfs/dbraw/zinc/73/95/06/496739506.db2.gz ZQWRAHPMQYHSFQ-UHFFFAOYSA-N 1 1 361.367 3.409 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247048465 496762528 /nfs/dbraw/zinc/76/25/28/496762528.db2.gz SNKAATNOKKGLJJ-CEXWTWQISA-N 1 1 368.525 3.472 20 30 FGEDMO COc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000194965492 496776105 /nfs/dbraw/zinc/77/61/05/496776105.db2.gz DGWFPVKBZADIJS-UHFFFAOYSA-N 1 1 365.433 3.179 20 30 FGEDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000194965492 496776110 /nfs/dbraw/zinc/77/61/10/496776110.db2.gz DGWFPVKBZADIJS-UHFFFAOYSA-N 1 1 365.433 3.179 20 30 FGEDMO CN(C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C1(C#N)CCCCC1 ZINC000194967554 496776121 /nfs/dbraw/zinc/77/61/21/496776121.db2.gz URDHNPOMNBIMQI-UHFFFAOYSA-N 1 1 350.466 3.208 20 30 FGEDMO CN(C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C1(C#N)CCCCC1 ZINC000194967554 496776127 /nfs/dbraw/zinc/77/61/27/496776127.db2.gz URDHNPOMNBIMQI-UHFFFAOYSA-N 1 1 350.466 3.208 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CC(=O)NCc2cccc(Cl)c2)C2CC2)cc1 ZINC000194964910 496776203 /nfs/dbraw/zinc/77/62/03/496776203.db2.gz JYUOQNQTTBCXDD-UHFFFAOYSA-N 1 1 353.853 3.492 20 30 FGEDMO N#Cc1ccc(C[N@H+](CC(=O)NCc2cccc(Cl)c2)C2CC2)cc1 ZINC000194964910 496776207 /nfs/dbraw/zinc/77/62/07/496776207.db2.gz JYUOQNQTTBCXDD-UHFFFAOYSA-N 1 1 353.853 3.492 20 30 FGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cncc(Br)c1 ZINC000195001029 496786451 /nfs/dbraw/zinc/78/64/51/496786451.db2.gz DQFNPLPCOMZLCW-UHFFFAOYSA-N 1 1 360.255 3.364 20 30 FGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc(Br)c1 ZINC000195001029 496786454 /nfs/dbraw/zinc/78/64/54/496786454.db2.gz DQFNPLPCOMZLCW-UHFFFAOYSA-N 1 1 360.255 3.364 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000191509137 496789560 /nfs/dbraw/zinc/78/95/60/496789560.db2.gz QLUGXRDOQFAZPT-GOSISDBHSA-N 1 1 371.868 3.340 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000191509137 496789568 /nfs/dbraw/zinc/78/95/68/496789568.db2.gz QLUGXRDOQFAZPT-GOSISDBHSA-N 1 1 371.868 3.340 20 30 FGEDMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000191507634 496789989 /nfs/dbraw/zinc/78/99/89/496789989.db2.gz XCACCXFMLQYTAW-OAHLLOKOSA-N 1 1 371.485 3.266 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@H+](CCC(N)=O)Cc2ccccc2)c1 ZINC000191810273 496897506 /nfs/dbraw/zinc/89/75/06/496897506.db2.gz NMTQCVRTDQUIFP-UHFFFAOYSA-N 1 1 372.266 3.198 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1 ZINC000191810273 496897512 /nfs/dbraw/zinc/89/75/12/496897512.db2.gz NMTQCVRTDQUIFP-UHFFFAOYSA-N 1 1 372.266 3.198 20 30 FGEDMO C=C1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)CC1 ZINC000264493090 496913605 /nfs/dbraw/zinc/91/36/05/496913605.db2.gz TXCQDSASQMYPOC-SFHVURJKSA-N 1 1 356.466 3.163 20 30 FGEDMO 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498168630 /nfs/dbraw/zinc/16/86/30/498168630.db2.gz SXIDQOZEGXTIFR-UHFFFAOYSA-N 1 1 368.481 3.118 20 30 FGEDMO COCC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000330718318 498181748 /nfs/dbraw/zinc/18/17/48/498181748.db2.gz AIYXXHFZXJBMGY-IAGOWNOFSA-N 1 1 369.456 3.417 20 30 FGEDMO COCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000330718318 498181753 /nfs/dbraw/zinc/18/17/53/498181753.db2.gz AIYXXHFZXJBMGY-IAGOWNOFSA-N 1 1 369.456 3.417 20 30 FGEDMO CC[C@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000330744378 498185782 /nfs/dbraw/zinc/18/57/82/498185782.db2.gz UVRSCPRCMYJYOW-LMMKCTJWSA-N 1 1 369.456 3.153 20 30 FGEDMO CC[C@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000330744378 498185784 /nfs/dbraw/zinc/18/57/84/498185784.db2.gz UVRSCPRCMYJYOW-LMMKCTJWSA-N 1 1 369.456 3.153 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccncc2Br)C1 ZINC000330769308 498190528 /nfs/dbraw/zinc/19/05/28/498190528.db2.gz ADDHHPBVTBGQRS-LBPRGKRZSA-N 1 1 369.307 3.102 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000569705633 505997886 /nfs/dbraw/zinc/99/78/86/505997886.db2.gz BEZOHNAAUIKNDM-IBGZPJMESA-N 1 1 368.525 3.272 20 30 FGEDMO COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000330974435 498228398 /nfs/dbraw/zinc/22/83/98/498228398.db2.gz GZYMYYWHWPOBSN-MELADBBJSA-N 1 1 369.893 3.324 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000293006504 498232378 /nfs/dbraw/zinc/23/23/78/498232378.db2.gz DGCWFVSOHOFSIV-HOTGVXAUSA-N 1 1 361.511 3.114 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000293006504 498232382 /nfs/dbraw/zinc/23/23/82/498232382.db2.gz DGCWFVSOHOFSIV-HOTGVXAUSA-N 1 1 361.511 3.114 20 30 FGEDMO COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000330999134 498233117 /nfs/dbraw/zinc/23/31/17/498233117.db2.gz ZEGJTPMLBKYDOY-HNNXBMFYSA-N 1 1 361.486 3.416 20 30 FGEDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000293034173 498244521 /nfs/dbraw/zinc/24/45/21/498244521.db2.gz LNURIXCBABERAX-OAQYLSRUSA-N 1 1 352.482 3.189 20 30 FGEDMO CC1(C)C[N@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@@H]2CCC[C@@H]21 ZINC000293074393 498258824 /nfs/dbraw/zinc/25/88/24/498258824.db2.gz OJWZAOQGRRMMJR-YQQAZPJKSA-N 1 1 364.449 3.022 20 30 FGEDMO CC1(C)C[N@@H+](CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)[C@@H]2CCC[C@@H]21 ZINC000293074393 498258831 /nfs/dbraw/zinc/25/88/31/498258831.db2.gz OJWZAOQGRRMMJR-YQQAZPJKSA-N 1 1 364.449 3.022 20 30 FGEDMO CC[C@@H]1CN(C(=O)Nc2c(C)c(C)ccc2Cl)CC[N@H+]1C[C@H](C)O ZINC000331220535 498277279 /nfs/dbraw/zinc/27/72/79/498277279.db2.gz BOMJDRBHOJNJSF-DZGCQCFKSA-N 1 1 353.894 3.279 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)OC)c(Cl)c2)C[C@H]1C ZINC000331296675 498295743 /nfs/dbraw/zinc/29/57/43/498295743.db2.gz TXYKWJVTMSUQJS-TZMCWYRMSA-N 1 1 367.877 3.477 20 30 FGEDMO CSc1cccc(C)c1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000331299718 498296210 /nfs/dbraw/zinc/29/62/10/498296210.db2.gz QGMGBWNIEZKRSL-AWEZNQCLSA-N 1 1 351.516 3.039 20 30 FGEDMO Cc1ccc(NC2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)cc1 ZINC000365134586 498316179 /nfs/dbraw/zinc/31/61/79/498316179.db2.gz QEXIJDMYOSSWNA-UHFFFAOYSA-N 1 1 362.477 3.059 20 30 FGEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599395830 506441402 /nfs/dbraw/zinc/44/14/02/506441402.db2.gz LOEVQILRGYDCGU-QZTJIDSGSA-N 1 1 366.889 3.031 20 30 FGEDMO N#C[C@]1(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCc2ccccc2C1 ZINC000575933645 506035748 /nfs/dbraw/zinc/03/57/48/506035748.db2.gz RIRIJZGQESLFNK-GGAORHGYSA-N 1 1 359.473 3.076 20 30 FGEDMO CCCCCCCCOCC(=O)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000365538157 498520694 /nfs/dbraw/zinc/52/06/94/498520694.db2.gz URAFJQSPPZDYRY-UHFFFAOYSA-N 1 1 354.535 3.077 20 30 FGEDMO CC[C@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331994729 498525509 /nfs/dbraw/zinc/52/55/09/498525509.db2.gz VIQCLKBMEOWNOQ-KBPBESRZSA-N 1 1 361.511 3.184 20 30 FGEDMO CC[C@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000331994729 498525515 /nfs/dbraw/zinc/52/55/15/498525515.db2.gz VIQCLKBMEOWNOQ-KBPBESRZSA-N 1 1 361.511 3.184 20 30 FGEDMO COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3ccc(C#N)o3)CC2)c1C ZINC000290480036 498567768 /nfs/dbraw/zinc/56/77/68/498567768.db2.gz NYUZTADOQPRFPS-UHFFFAOYSA-N 1 1 368.481 3.268 20 30 FGEDMO N#Cc1csc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000365741844 498620378 /nfs/dbraw/zinc/62/03/78/498620378.db2.gz IFORZEXGDCEPBA-QZTJIDSGSA-N 1 1 351.475 3.214 20 30 FGEDMO N#CCc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000365774860 498634247 /nfs/dbraw/zinc/63/42/47/498634247.db2.gz VIDIPAQTRWJAGW-VXKWHMMOSA-N 1 1 359.473 3.347 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000332307798 498642588 /nfs/dbraw/zinc/64/25/88/498642588.db2.gz WRJUXMXUJPGASL-NQIIRXRSSA-N 1 1 362.562 3.017 20 30 FGEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000287157986 498652448 /nfs/dbraw/zinc/65/24/48/498652448.db2.gz IQKFBEBOMMSKCI-LBPRGKRZSA-N 1 1 365.275 3.126 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCN(C)c1ccccc1 ZINC000303292259 498662130 /nfs/dbraw/zinc/66/21/30/498662130.db2.gz MPUGDICYTYBTKF-IBGZPJMESA-N 1 1 364.493 3.390 20 30 FGEDMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287192370 498666668 /nfs/dbraw/zinc/66/66/68/498666668.db2.gz LBUPRQNWGQIBAT-UHFFFAOYSA-N 1 1 362.231 3.038 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000365844950 498668186 /nfs/dbraw/zinc/66/81/86/498668186.db2.gz AFZUFTLVRYCSAE-GVDBMIGSSA-N 1 1 361.511 3.354 20 30 FGEDMO Cc1cc(C#N)cc(NC(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000332537468 498717696 /nfs/dbraw/zinc/71/76/96/498717696.db2.gz JCLPUGFLLUNWLQ-CALCHBBNSA-N 1 1 370.497 3.220 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(F)(c4ccccn4)CC3)C2=O)cc1 ZINC000298443578 498773104 /nfs/dbraw/zinc/77/31/04/498773104.db2.gz GZKVDQOOJUXOED-SFHVURJKSA-N 1 1 364.424 3.019 20 30 FGEDMO C=CCn1c(N2CCC[N@@H+](Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC000576150908 506089050 /nfs/dbraw/zinc/08/90/50/506089050.db2.gz NPVPQKRXDXTSQD-UHFFFAOYSA-N 1 1 353.514 3.474 20 30 FGEDMO C=CCOc1ccc(CC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1 ZINC000294801584 498810147 /nfs/dbraw/zinc/81/01/47/498810147.db2.gz FDHIUSHMLLNZCN-WIYYLYMNSA-N 1 1 374.525 3.047 20 30 FGEDMO N#CCCC1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000570163582 506105163 /nfs/dbraw/zinc/10/51/63/506105163.db2.gz JODOKHFSGSTMGS-IBGZPJMESA-N 1 1 357.523 3.319 20 30 FGEDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccnc(OCc2ccccc2)c1 ZINC000328655550 498891214 /nfs/dbraw/zinc/89/12/14/498891214.db2.gz MZZHPIBGDAFGEH-APWZRJJASA-N 1 1 366.465 3.375 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC000328657977 498892296 /nfs/dbraw/zinc/89/22/96/498892296.db2.gz QDZFWYOHJBETPL-ZDUSSCGKSA-N 1 1 351.401 3.353 20 30 FGEDMO Cc1ccc2c(c1)nc(CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)n2C ZINC000328685305 498902206 /nfs/dbraw/zinc/90/22/06/498902206.db2.gz FOASVVUAMIFUGI-QGZVFWFLSA-N 1 1 371.529 3.253 20 30 FGEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000366393090 498907672 /nfs/dbraw/zinc/90/76/72/498907672.db2.gz CHHNVUUIXYYNDJ-AEFFLSMTSA-N 1 1 364.449 3.050 20 30 FGEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000366393090 498907678 /nfs/dbraw/zinc/90/76/78/498907678.db2.gz CHHNVUUIXYYNDJ-AEFFLSMTSA-N 1 1 364.449 3.050 20 30 FGEDMO C[N@H+]1CCC[C@@]2(CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C2)C1 ZINC000328721390 498915425 /nfs/dbraw/zinc/91/54/25/498915425.db2.gz WUZPWGDPQZHSAD-JOCHJYFZSA-N 1 1 363.509 3.406 20 30 FGEDMO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)n1nnc(-c2ccccc2)n1 ZINC000328728838 498918343 /nfs/dbraw/zinc/91/83/43/498918343.db2.gz HDOLRCLJUWPLMJ-FGTMMUONSA-N 1 1 368.485 3.121 20 30 FGEDMO COc1nccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000328735596 498920953 /nfs/dbraw/zinc/92/09/53/498920953.db2.gz JCOGTBHUQQDXQR-OAHLLOKOSA-N 1 1 361.490 3.007 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)C2)[nH]n1 ZINC000328753823 498926451 /nfs/dbraw/zinc/92/64/51/498926451.db2.gz SIRKRDKDVCMJKE-NVXWUHKLSA-N 1 1 361.534 3.322 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)NCC(C)(C)[N@@H+]3CCC[C@@H](C)C3)C2)n[nH]1 ZINC000328753823 498926455 /nfs/dbraw/zinc/92/64/55/498926455.db2.gz SIRKRDKDVCMJKE-NVXWUHKLSA-N 1 1 361.534 3.322 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)C2)n[nH]1 ZINC000328753823 498926460 /nfs/dbraw/zinc/92/64/60/498926460.db2.gz SIRKRDKDVCMJKE-NVXWUHKLSA-N 1 1 361.534 3.322 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccn1 ZINC000295208848 498944145 /nfs/dbraw/zinc/94/41/45/498944145.db2.gz UIQDQIPIAWBTOP-UHFFFAOYSA-N 1 1 354.479 3.354 20 30 FGEDMO CO[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000363706268 498952833 /nfs/dbraw/zinc/95/28/33/498952833.db2.gz 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FGEDMO COc1cc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)ccc1C#N ZINC000442810038 500628839 /nfs/dbraw/zinc/62/88/39/500628839.db2.gz MALHYLQPFQWHST-UHFFFAOYSA-N 1 1 358.445 3.437 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)c(OC)c1 ZINC000442812930 500629117 /nfs/dbraw/zinc/62/91/17/500629117.db2.gz RZVZXPLYYWLSMM-UHFFFAOYSA-N 1 1 367.449 3.426 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C#N)c(OC)c1 ZINC000442812930 500629120 /nfs/dbraw/zinc/62/91/20/500629120.db2.gz RZVZXPLYYWLSMM-UHFFFAOYSA-N 1 1 367.449 3.426 20 30 FGEDMO C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000576669793 506207798 /nfs/dbraw/zinc/20/77/98/506207798.db2.gz GAKAAYGEXWKKRU-QGZVFWFLSA-N 1 1 357.889 3.457 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)ccc1C#N ZINC000442886236 500640682 /nfs/dbraw/zinc/64/06/82/500640682.db2.gz QENYGAWLXIBSFG-SFHVURJKSA-N 1 1 363.461 3.209 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000437465624 500646951 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FGEDMO C=CCN(CC=C)[C@H](C[NH2+]Cc1c(Br)c(C)nn1C)C(C)C ZINC000447945128 500694095 /nfs/dbraw/zinc/69/40/95/500694095.db2.gz VHAGUVBSRNLKJW-OAHLLOKOSA-N 1 1 369.351 3.279 20 30 FGEDMO C[C@@H](CNc1ccc(C(F)(F)F)c(C#N)n1)[N@H+]1CCc2ccccc2C1 ZINC000443515463 500733606 /nfs/dbraw/zinc/73/36/06/500733606.db2.gz CQOISCWAZGWBOH-ZDUSSCGKSA-N 1 1 360.383 3.253 20 30 FGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(C)(C)CN1CCOCC1 ZINC000443656735 500750545 /nfs/dbraw/zinc/75/05/45/500750545.db2.gz MGPUHNLQWVBSDU-UHFFFAOYSA-N 1 1 368.443 3.347 20 30 FGEDMO Cn1c2cc(F)ccc2[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000438240364 500757859 /nfs/dbraw/zinc/75/78/59/500757859.db2.gz OAXNKMNKWMLMIU-UHFFFAOYSA-N 1 1 359.408 3.468 20 30 FGEDMO C[C@@H]1C[C@@]1(C#N)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000448745672 500821989 /nfs/dbraw/zinc/82/19/89/500821989.db2.gz FJOVIEPQZYQYTM-ACJLOTCBSA-N 1 1 365.399 3.336 20 30 FGEDMO CCN(C(=O)c1ccc(C#N)n1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000448768680 500828670 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FGEDMO C=CC[C@@H]1N(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCCC1(C)C ZINC000444878795 500916098 /nfs/dbraw/zinc/91/60/98/500916098.db2.gz URBMEHYYRPHYIE-MSOLQXFVSA-N 1 1 351.535 3.120 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CC2)cc1 ZINC000435134011 500937419 /nfs/dbraw/zinc/93/74/19/500937419.db2.gz VDPJYPZKTJAWBW-UHFFFAOYSA-N 1 1 361.449 3.249 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)cc1 ZINC000435134011 500937421 /nfs/dbraw/zinc/93/74/21/500937421.db2.gz VDPJYPZKTJAWBW-UHFFFAOYSA-N 1 1 361.449 3.249 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)cc1 ZINC000435134011 500937424 /nfs/dbraw/zinc/93/74/24/500937424.db2.gz VDPJYPZKTJAWBW-UHFFFAOYSA-N 1 1 361.449 3.249 20 30 FGEDMO C=CCc1cc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc(OC)c1O ZINC000449409564 500996681 /nfs/dbraw/zinc/99/66/81/500996681.db2.gz QAUQNKAXALFSJU-UHFFFAOYSA-N 1 1 366.461 3.393 20 30 FGEDMO C=CCc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc(OC)c1O ZINC000449431623 501001250 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COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCCC(C)(C)C1 ZINC000446076396 501070890 /nfs/dbraw/zinc/07/08/90/501070890.db2.gz AWSQSFTZNGKVCC-UHFFFAOYSA-N 1 1 374.529 3.464 20 30 FGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000441051983 501080948 /nfs/dbraw/zinc/08/09/48/501080948.db2.gz PGLQJOXTUVKDRL-BFUOFWGJSA-N 1 1 369.852 3.474 20 30 FGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000441051983 501080951 /nfs/dbraw/zinc/08/09/51/501080951.db2.gz PGLQJOXTUVKDRL-BFUOFWGJSA-N 1 1 369.852 3.474 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000441116067 501090107 /nfs/dbraw/zinc/09/01/07/501090107.db2.gz PDIGAWQWJHHRCC-UHFFFAOYSA-N 1 1 374.868 3.484 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000450450036 501124841 /nfs/dbraw/zinc/12/48/41/501124841.db2.gz BUULHJQDLLHXCY-GOSISDBHSA-N 1 1 351.410 3.184 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000441349877 501125433 /nfs/dbraw/zinc/12/54/33/501125433.db2.gz GNAUAYBLWFPILO-QFBILLFUSA-N 1 1 354.498 3.351 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000441364700 501127642 /nfs/dbraw/zinc/12/76/42/501127642.db2.gz MXMGRNANROUMKO-AWEZNQCLSA-N 1 1 371.378 3.320 20 30 FGEDMO N#CCCCOc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446847053 501173008 /nfs/dbraw/zinc/17/30/08/501173008.db2.gz HVEKULLBTLUUSD-UHFFFAOYSA-N 1 1 365.393 3.443 20 30 FGEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000450660499 501179963 /nfs/dbraw/zinc/17/99/63/501179963.db2.gz AYASEYFIEANCBH-SFHVURJKSA-N 1 1 355.482 3.422 20 30 FGEDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)cc(OC)c1 ZINC000447044171 501196861 /nfs/dbraw/zinc/19/68/61/501196861.db2.gz IROZHKKHIXSGJD-OAHLLOKOSA-N 1 1 372.856 3.310 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)cc(OC)c1 ZINC000447044171 501196864 /nfs/dbraw/zinc/19/68/64/501196864.db2.gz IROZHKKHIXSGJD-OAHLLOKOSA-N 1 1 372.856 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/nfs/dbraw/zinc/23/14/44/502231444.db2.gz FSPMMWRHVINKHC-LJQANCHMSA-N 1 1 370.497 3.429 20 30 FGEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000479352736 502232700 /nfs/dbraw/zinc/23/27/00/502232700.db2.gz YDQLCLAMZMEVSZ-SJORKVTESA-N 1 1 363.502 3.123 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@H]1C#N ZINC000461961294 502254414 /nfs/dbraw/zinc/25/44/14/502254414.db2.gz ACWPHZIRESNFMA-JXFKEZNVSA-N 1 1 366.465 3.403 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@H]1C#N ZINC000461961294 502254420 /nfs/dbraw/zinc/25/44/20/502254420.db2.gz ACWPHZIRESNFMA-JXFKEZNVSA-N 1 1 366.465 3.403 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CCC[C@H]3C#N)cc2)C1 ZINC000461970275 502258091 /nfs/dbraw/zinc/25/80/91/502258091.db2.gz YIUSVRCFVCEQHK-LSTHTHJFSA-N 1 1 354.498 3.410 20 30 FGEDMO N#CCC1(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)CC1 ZINC000602800278 506304033 /nfs/dbraw/zinc/30/40/33/506304033.db2.gz GYNOLBQRVWNIHH-MRXNPFEDSA-N 1 1 355.486 3.412 20 30 FGEDMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000483273409 502335486 /nfs/dbraw/zinc/33/54/86/502335486.db2.gz YMGLCGDAPLLRAQ-JTSKRJEESA-N 1 1 365.525 3.333 20 30 FGEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C#N)n(C)c1 ZINC000483273409 502335490 /nfs/dbraw/zinc/33/54/90/502335490.db2.gz YMGLCGDAPLLRAQ-JTSKRJEESA-N 1 1 365.525 3.333 20 30 FGEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C#N)n(C)c1 ZINC000483273409 502335495 /nfs/dbraw/zinc/33/54/95/502335495.db2.gz YMGLCGDAPLLRAQ-JTSKRJEESA-N 1 1 365.525 3.333 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](CC1CC1)C1CCC1 ZINC000483295177 502342210 /nfs/dbraw/zinc/34/22/10/502342210.db2.gz PMCQNJSMGGGMPK-UHFFFAOYSA-N 1 1 372.513 3.216 20 30 FGEDMO CC[C@@H](NC(=O)c1ccc(C#N)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000472409695 502343399 /nfs/dbraw/zinc/34/33/99/502343399.db2.gz NFZITYMUPAFYEO-QZTJIDSGSA-N 1 1 369.490 3.029 20 30 FGEDMO CC[C@@H](NC(=O)c1ccc(C#N)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000472409695 502343402 /nfs/dbraw/zinc/34/34/02/502343402.db2.gz NFZITYMUPAFYEO-QZTJIDSGSA-N 1 1 369.490 3.029 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2Cc3ccc(C)cc3C2)c(OC)c1 ZINC000483324625 502350708 /nfs/dbraw/zinc/35/07/08/502350708.db2.gz ZDNGUMMNOPHXPR-HXUWFJFHSA-N 1 1 353.462 3.488 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2Cc3ccc(C)cc3C2)c(OC)c1 ZINC000483324625 502350713 /nfs/dbraw/zinc/35/07/13/502350713.db2.gz ZDNGUMMNOPHXPR-HXUWFJFHSA-N 1 1 353.462 3.488 20 30 FGEDMO C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299513 502366421 /nfs/dbraw/zinc/36/64/21/502366421.db2.gz ZZIHMUJWVMWGQK-QZTJIDSGSA-N 1 1 368.525 3.102 20 30 FGEDMO C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299513 502366426 /nfs/dbraw/zinc/36/64/26/502366426.db2.gz ZZIHMUJWVMWGQK-QZTJIDSGSA-N 1 1 368.525 3.102 20 30 FGEDMO C[C@@H]1C[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@@H]1c1ccccc1 ZINC000462277977 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ZINC000481240160 502794291 /nfs/dbraw/zinc/79/42/91/502794291.db2.gz RBTBQVBXXGFAPU-PZJWPPBQSA-N 1 1 364.445 3.378 20 30 FGEDMO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000481240160 502794297 /nfs/dbraw/zinc/79/42/97/502794297.db2.gz RBTBQVBXXGFAPU-PZJWPPBQSA-N 1 1 364.445 3.378 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000488755983 502803520 /nfs/dbraw/zinc/80/35/20/502803520.db2.gz VAZGLGYVNNTJDU-UZLBHIALSA-N 1 1 366.461 3.349 20 30 FGEDMO Cc1ccccc1-n1nccc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000474106750 502811140 /nfs/dbraw/zinc/81/11/40/502811140.db2.gz OKQRBXQNJKRKRB-UHFFFAOYSA-N 1 1 371.488 3.370 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC(C)(C)O ZINC000474157143 502816499 /nfs/dbraw/zinc/81/64/99/502816499.db2.gz AJMCPKUQWVJJBJ-HNNXBMFYSA-N 1 1 363.527 3.360 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000495339862 502826951 /nfs/dbraw/zinc/82/69/51/502826951.db2.gz FPYKJDRULLOFLH-FXAWDEMLSA-N 1 1 357.498 3.342 20 30 FGEDMO CO[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000513227088 502884019 /nfs/dbraw/zinc/88/40/19/502884019.db2.gz ALUCVKVTRJVWGA-ZDUSSCGKSA-N 1 1 372.444 3.010 20 30 FGEDMO CO[C@@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000513227088 502884023 /nfs/dbraw/zinc/88/40/23/502884023.db2.gz ALUCVKVTRJVWGA-ZDUSSCGKSA-N 1 1 372.444 3.010 20 30 FGEDMO CCc1ccc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC[NH2+]2)cc1 ZINC000505483200 502912937 /nfs/dbraw/zinc/91/29/37/502912937.db2.gz GTLUSHWBRKTXDA-IERDGZPVSA-N 1 1 363.461 3.061 20 30 FGEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1cccc(C#N)c1C)c1ccccc1 ZINC000509518144 502924174 /nfs/dbraw/zinc/92/41/74/502924174.db2.gz WNRDKLGSRVJYOI-OAQYLSRUSA-N 1 1 365.477 3.306 20 30 FGEDMO COc1ccnc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)c1OC ZINC000602895454 506342000 /nfs/dbraw/zinc/34/20/00/506342000.db2.gz NWMACIFDLMJYPF-UHFFFAOYSA-N 1 1 352.438 3.047 20 30 FGEDMO CCc1ccc([C@H]2CN(C(=O)[C@H](C)Oc3ccccc3C#N)CC[NH2+]2)cc1 ZINC000505543944 502932285 /nfs/dbraw/zinc/93/22/85/502932285.db2.gz WZIPDNIQWCMOAM-OXJNMPFZSA-N 1 1 363.461 3.061 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2CO)c1C#N ZINC000501093309 502935461 /nfs/dbraw/zinc/93/54/61/502935461.db2.gz YRTLTTXXHNJQNG-RDTXWAMCSA-N 1 1 372.513 3.266 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2CO)c1C#N ZINC000501093309 502935464 /nfs/dbraw/zinc/93/54/64/502935464.db2.gz YRTLTTXXHNJQNG-RDTXWAMCSA-N 1 1 372.513 3.266 20 30 FGEDMO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000505833684 502996109 /nfs/dbraw/zinc/99/61/09/502996109.db2.gz UTGZRWYIPXROLN-DLBZAZTESA-N 1 1 357.498 3.123 20 30 FGEDMO CC[N@@H+](CC(=O)NCCOc1cccc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618254 503001841 /nfs/dbraw/zinc/00/18/41/503001841.db2.gz MBRDLCXVFLHWEN-SFHVURJKSA-N 1 1 365.477 3.445 20 30 FGEDMO CC[N@@H+](CC(=O)NC(=O)NCc1cccs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617962 503001951 /nfs/dbraw/zinc/00/19/51/503001951.db2.gz KDXVSFAHGMASQQ-AWEZNQCLSA-N 1 1 370.478 3.029 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000501411892 503004850 /nfs/dbraw/zinc/00/48/50/503004850.db2.gz YRAPASKWKJODPL-DLBZAZTESA-N 1 1 364.440 3.338 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000501411892 503004854 /nfs/dbraw/zinc/00/48/54/503004854.db2.gz YRAPASKWKJODPL-DLBZAZTESA-N 1 1 364.440 3.338 20 30 FGEDMO N#Cc1ccc(C2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)nc1 ZINC000602912146 506348637 /nfs/dbraw/zinc/34/86/37/506348637.db2.gz KZDCCZQJYMNIRQ-UHFFFAOYSA-N 1 1 360.461 3.112 20 30 FGEDMO O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000513919040 503049064 /nfs/dbraw/zinc/04/90/64/503049064.db2.gz SQPGZXIVEVJPBH-NRFANRHFSA-N 1 1 350.437 3.348 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2)C1 ZINC000501829835 503088939 /nfs/dbraw/zinc/08/89/39/503088939.db2.gz MFMIZBMQDDMXID-IYBDPMFKSA-N 1 1 350.466 3.294 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+]3CC=C(c4c[nH]c5ncccc45)CC3)n2c1 ZINC000506631512 503146199 /nfs/dbraw/zinc/14/61/99/503146199.db2.gz PVRDYIDCHPXGQN-UHFFFAOYSA-N 1 1 354.417 3.372 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CC=C(c4c[nH]c5ncccc45)CC3)n2c1 ZINC000506631512 503146202 /nfs/dbraw/zinc/14/62/02/503146202.db2.gz PVRDYIDCHPXGQN-UHFFFAOYSA-N 1 1 354.417 3.372 20 30 FGEDMO COc1cc(C#N)ccc1C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602926677 506355225 /nfs/dbraw/zinc/35/52/25/506355225.db2.gz UYPSEEAUKNPZSF-MRXNPFEDSA-N 1 1 350.340 3.409 20 30 FGEDMO N#Cc1cccnc1N1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000506911252 503192965 /nfs/dbraw/zinc/19/29/65/503192965.db2.gz OYBPCZNDCRQSQC-UHFFFAOYSA-N 1 1 358.445 3.307 20 30 FGEDMO C=CCN(C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1)C1CC1 ZINC000498558779 503211588 /nfs/dbraw/zinc/21/15/88/503211588.db2.gz FFTQFWVLWDTNBK-PMACEKPBSA-N 1 1 355.482 3.333 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(F)(C#N)CC3)sc2C1 ZINC000510955610 503224406 /nfs/dbraw/zinc/22/44/06/503224406.db2.gz YRLHNARKXYJAOF-ZDUSSCGKSA-N 1 1 374.485 3.401 20 30 FGEDMO COCc1ccccc1/C=C(/C)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000507085957 503227290 /nfs/dbraw/zinc/22/72/90/503227290.db2.gz MZNLLJVOQFFJSS-AQTBWJFISA-N 1 1 362.477 3.325 20 30 FGEDMO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000502712240 503256322 /nfs/dbraw/zinc/25/63/22/503256322.db2.gz LGRNANAXZIVOCO-OAHLLOKOSA-N 1 1 369.918 3.145 20 30 FGEDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(C#N)c2ccccc2n1 ZINC000491171556 503282369 /nfs/dbraw/zinc/28/23/69/503282369.db2.gz KUEUFZMFATZFGP-HSZRJFAPSA-N 1 1 372.472 3.180 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000498914922 503291878 /nfs/dbraw/zinc/29/18/78/503291878.db2.gz KBMKGUAPEXBARP-IAGOWNOFSA-N 1 1 352.482 3.152 20 30 FGEDMO N#CCCN(C(=O)C[NH+]1CCC(Cc2nccs2)CC1)c1ccccc1 ZINC000602957315 506365145 /nfs/dbraw/zinc/36/51/45/506365145.db2.gz UAQXXSSTPGRISS-UHFFFAOYSA-N 1 1 368.506 3.344 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000499211822 503356367 /nfs/dbraw/zinc/35/63/67/503356367.db2.gz IPLNVFYEHPYFQB-QFBILLFUSA-N 1 1 359.518 3.034 20 30 FGEDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000596361447 506371950 /nfs/dbraw/zinc/37/19/50/506371950.db2.gz STWVSRHMAMVTDX-ZDUSSCGKSA-N 1 1 361.440 3.069 20 30 FGEDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000596361447 506371954 /nfs/dbraw/zinc/37/19/54/506371954.db2.gz STWVSRHMAMVTDX-ZDUSSCGKSA-N 1 1 361.440 3.069 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)o2)cc1 ZINC000516148417 503455743 /nfs/dbraw/zinc/45/57/43/503455743.db2.gz ZTVZLLJXBCSAQY-KSZLIROESA-N 1 1 352.438 3.124 20 30 FGEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)C[C@H](O)COc1ccccc1 ZINC000499722743 503468056 /nfs/dbraw/zinc/46/80/56/503468056.db2.gz ZFQSDDOHIBYRDM-IBGZPJMESA-N 1 1 360.498 3.237 20 30 FGEDMO Cc1[nH+]ccn1CCCNC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000512205981 503486202 /nfs/dbraw/zinc/48/62/02/503486202.db2.gz YGBLYLZGGSGESG-UHFFFAOYSA-N 1 1 353.470 3.321 20 30 FGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000512427918 503548253 /nfs/dbraw/zinc/54/82/53/503548253.db2.gz OGFWASWEDFUEDC-UHFFFAOYSA-N 1 1 370.456 3.364 20 30 FGEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3F)C2)nc1 ZINC000512464341 503560249 /nfs/dbraw/zinc/56/02/49/503560249.db2.gz WPCHSBFZCWQNML-KRWDZBQOSA-N 1 1 352.413 3.252 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)NCC[N@@H+](CC)CCC(F)(F)F ZINC000494579667 503568254 /nfs/dbraw/zinc/56/82/54/503568254.db2.gz PSTGGKQQOXEJKI-UHFFFAOYSA-N 1 1 372.391 3.353 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000494669574 503589015 /nfs/dbraw/zinc/58/90/15/503589015.db2.gz CEWJSHLNOGCUAL-OAQYLSRUSA-N 1 1 370.541 3.074 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000494684112 503591553 /nfs/dbraw/zinc/59/15/53/503591553.db2.gz HTQGZRLTFZSPOO-NHCUHLMSSA-N 1 1 370.541 3.115 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000494684112 503591555 /nfs/dbraw/zinc/59/15/55/503591555.db2.gz HTQGZRLTFZSPOO-NHCUHLMSSA-N 1 1 370.541 3.115 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000494684112 503591557 /nfs/dbraw/zinc/59/15/57/503591557.db2.gz HTQGZRLTFZSPOO-NHCUHLMSSA-N 1 1 370.541 3.115 20 30 FGEDMO C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000508907218 503597195 /nfs/dbraw/zinc/59/71/95/503597195.db2.gz LJGGGFJOTWQQJB-GOSISDBHSA-N 1 1 373.932 3.485 20 30 FGEDMO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)C1=O ZINC000512661247 503606306 /nfs/dbraw/zinc/60/63/06/503606306.db2.gz QNUPSOHDRTYCBY-GUYCJALGSA-N 1 1 353.397 3.162 20 30 FGEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1F ZINC000512668878 503608289 /nfs/dbraw/zinc/60/82/89/503608289.db2.gz WZIJRBYJNMCFTH-BPXKWBHBSA-N 1 1 367.468 3.231 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1F ZINC000512668878 503608293 /nfs/dbraw/zinc/60/82/93/503608293.db2.gz WZIJRBYJNMCFTH-BPXKWBHBSA-N 1 1 367.468 3.231 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000500390484 503613386 /nfs/dbraw/zinc/61/33/86/503613386.db2.gz CFMAUQWJFOUJQH-UYAOXDASSA-N 1 1 355.482 3.116 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000500480290 503633119 /nfs/dbraw/zinc/63/31/19/503633119.db2.gz FDJPMUSDTYJDGF-XRXFAXGQSA-N 1 1 359.510 3.170 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H](COC(F)F)C1)c1cccc(Cl)c1 ZINC000512841531 503643297 /nfs/dbraw/zinc/64/32/97/503643297.db2.gz TVPRAVILICCULC-ZDUSSCGKSA-N 1 1 371.815 3.148 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+]1CC[C@H](COC(F)F)C1)c1cccc(Cl)c1 ZINC000512841531 503643299 /nfs/dbraw/zinc/64/32/99/503643299.db2.gz TVPRAVILICCULC-ZDUSSCGKSA-N 1 1 371.815 3.148 20 30 FGEDMO N#Cc1ccc(OC2CC[NH+](Cc3cnc4ccccn34)CC2)c(F)c1 ZINC000512846121 503644513 /nfs/dbraw/zinc/64/45/13/503644513.db2.gz XUWQXSSXMROXMQ-UHFFFAOYSA-N 1 1 350.397 3.388 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000546212346 503672743 /nfs/dbraw/zinc/67/27/43/503672743.db2.gz ORSCQDNHNZZHPK-OAHLLOKOSA-N 1 1 351.410 3.053 20 30 FGEDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000532967098 503679619 /nfs/dbraw/zinc/67/96/19/503679619.db2.gz APKBYEVVTUGRGF-FXAWDEMLSA-N 1 1 361.445 3.162 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000533012860 503698420 /nfs/dbraw/zinc/69/84/20/503698420.db2.gz YEESKKPMFAJSNL-CVEARBPZSA-N 1 1 370.522 3.484 20 30 FGEDMO COCC[C@@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccco1 ZINC000543459073 503780414 /nfs/dbraw/zinc/78/04/14/503780414.db2.gz RXTGPQGNYYABGQ-MUZJZNNISA-N 1 1 361.486 3.266 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCC1 ZINC000527385210 503785652 /nfs/dbraw/zinc/78/56/52/503785652.db2.gz SNUKPYSTOUODOL-UHFFFAOYSA-N 1 1 365.399 3.447 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1F ZINC000537048713 503788915 /nfs/dbraw/zinc/78/89/15/503788915.db2.gz YZGCKGDACIZCIH-UHFFFAOYSA-N 1 1 363.234 3.493 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000533374668 503821788 /nfs/dbraw/zinc/82/17/88/503821788.db2.gz JILAADVSYMTIQQ-ZVDOUQERSA-N 1 1 368.525 3.270 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000533418274 503838034 /nfs/dbraw/zinc/83/80/34/503838034.db2.gz INJNHUNUJXJSOZ-MRXNPFEDSA-N 1 1 351.450 3.458 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000533440398 503845706 /nfs/dbraw/zinc/84/57/06/503845706.db2.gz SDJSKIRMWNHOGB-DOTOQJQBSA-N 1 1 372.538 3.188 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000527640694 503870238 /nfs/dbraw/zinc/87/02/38/503870238.db2.gz XIZUQKOINKDBEU-FCHUYYIVSA-N 1 1 361.489 3.498 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C#N)c1C ZINC000533512391 503871360 /nfs/dbraw/zinc/87/13/60/503871360.db2.gz GWEROYXMEAVZNG-KPEUIFRASA-N 1 1 372.513 3.432 20 30 FGEDMO COc1cc(C[NH+]2CCC(CC#N)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543779128 503889076 /nfs/dbraw/zinc/88/90/76/503889076.db2.gz CTMNSRMKZRCNMX-UHFFFAOYSA-N 1 1 369.368 3.373 20 30 FGEDMO N#CCC1CC[NH+](CC(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 ZINC000543811847 503902606 /nfs/dbraw/zinc/90/26/06/503902606.db2.gz XBIABZYDBDQBIV-UHFFFAOYSA-N 1 1 365.359 3.146 20 30 FGEDMO Cc1ccc([C@@H]2CC[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)c(C)c1 ZINC000530322020 503924881 /nfs/dbraw/zinc/92/48/81/503924881.db2.gz PDEYZBNXBJGYIO-WIYYLYMNSA-N 1 1 373.456 3.297 20 30 FGEDMO Cc1ccc([C@H]2CC[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)c(C)c1 ZINC000530322019 503925215 /nfs/dbraw/zinc/92/52/15/503925215.db2.gz PDEYZBNXBJGYIO-RXVVDRJESA-N 1 1 373.456 3.297 20 30 FGEDMO CCCOc1cc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)ccc1OC ZINC000546965380 503940010 /nfs/dbraw/zinc/94/00/10/503940010.db2.gz DSXHCHNYMVYVBX-UHFFFAOYSA-N 1 1 366.465 3.073 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000543915049 503941115 /nfs/dbraw/zinc/94/11/15/503941115.db2.gz LLTAWGHREVXWHL-GOSISDBHSA-N 1 1 355.482 3.051 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCOCC3(CC3)C2)c1 ZINC000543915049 503941118 /nfs/dbraw/zinc/94/11/18/503941118.db2.gz LLTAWGHREVXWHL-GOSISDBHSA-N 1 1 355.482 3.051 20 30 FGEDMO CC(C)Oc1cccc(C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000533762271 503944815 /nfs/dbraw/zinc/94/48/15/503944815.db2.gz AGSVTAPSVLUVCP-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO CC(C)Oc1cccc(C[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000533762271 503944817 /nfs/dbraw/zinc/94/48/17/503944817.db2.gz AGSVTAPSVLUVCP-UHFFFAOYSA-N 1 1 351.450 3.094 20 30 FGEDMO O=C(NCC#Cc1ccccc1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000518295498 503946564 /nfs/dbraw/zinc/94/65/64/503946564.db2.gz PSUMJQRNEHAVTB-NRFANRHFSA-N 1 1 353.510 3.382 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000543988451 503961046 /nfs/dbraw/zinc/96/10/46/503961046.db2.gz QXDYUKUCTTXOSL-KRWDZBQOSA-N 1 1 365.481 3.274 20 30 FGEDMO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000540989119 503966566 /nfs/dbraw/zinc/96/65/66/503966566.db2.gz VQVYQWOCXNVONY-HNAYVOBHSA-N 1 1 353.441 3.115 20 30 FGEDMO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000540989119 503966572 /nfs/dbraw/zinc/96/65/72/503966572.db2.gz VQVYQWOCXNVONY-HNAYVOBHSA-N 1 1 353.441 3.115 20 30 FGEDMO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]2C ZINC000541021462 503976497 /nfs/dbraw/zinc/97/64/97/503976497.db2.gz YCXQOACVCITZKD-HZPDHXFCSA-N 1 1 363.461 3.191 20 30 FGEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]2C ZINC000541021462 503976501 /nfs/dbraw/zinc/97/65/01/503976501.db2.gz YCXQOACVCITZKD-HZPDHXFCSA-N 1 1 363.461 3.191 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1C#N ZINC000537682504 504003364 /nfs/dbraw/zinc/00/33/64/504003364.db2.gz VSKHRVUILSSCML-KRWDZBQOSA-N 1 1 374.444 3.359 20 30 FGEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C2 ZINC000518542113 504012415 /nfs/dbraw/zinc/01/24/15/504012415.db2.gz JXFOFWWWSAZXCT-OXJNMPFZSA-N 1 1 371.437 3.410 20 30 FGEDMO CS(=O)(=O)c1ccc(OCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000544183275 504038129 /nfs/dbraw/zinc/03/81/29/504038129.db2.gz FMHLGAGNJZUIPD-UHFFFAOYSA-N 1 1 370.474 3.005 20 30 FGEDMO CS(=O)(=O)c1ccc(OCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000544183275 504038135 /nfs/dbraw/zinc/03/81/35/504038135.db2.gz FMHLGAGNJZUIPD-UHFFFAOYSA-N 1 1 370.474 3.005 20 30 FGEDMO N#Cc1cccc(CC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1 ZINC000530669926 504047976 /nfs/dbraw/zinc/04/79/76/504047976.db2.gz NVNREHRANDTPKA-UHFFFAOYSA-N 1 1 351.475 3.288 20 30 FGEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000537818011 504052982 /nfs/dbraw/zinc/05/29/82/504052982.db2.gz FZNFBPALFSJQHC-DLBZAZTESA-N 1 1 363.461 3.302 20 30 FGEDMO C=CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518751942 504055245 /nfs/dbraw/zinc/05/52/45/504055245.db2.gz APWVAPBUPIIUFG-HNNXBMFYSA-N 1 1 362.412 3.422 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518751942 504055251 /nfs/dbraw/zinc/05/52/51/504055251.db2.gz APWVAPBUPIIUFG-HNNXBMFYSA-N 1 1 362.412 3.422 20 30 FGEDMO N#Cc1csc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1 ZINC000530735153 504070009 /nfs/dbraw/zinc/07/00/09/504070009.db2.gz OFOZMAKIJZIXHV-UHFFFAOYSA-N 1 1 352.419 3.169 20 30 FGEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000544285335 504072880 /nfs/dbraw/zinc/07/28/80/504072880.db2.gz PTVOVTVFFANVGS-OAQYLSRUSA-N 1 1 360.461 3.419 20 30 FGEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000544285335 504072886 /nfs/dbraw/zinc/07/28/86/504072886.db2.gz PTVOVTVFFANVGS-OAQYLSRUSA-N 1 1 360.461 3.419 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]2Cc2ccccc2)c(OC)c1 ZINC000530756688 504078168 /nfs/dbraw/zinc/07/81/68/504078168.db2.gz HIBIKGAPOZMCBH-NHCUHLMSSA-N 1 1 367.489 3.480 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2c(C#N)nnc3ccccc32)cc1 ZINC000528142890 504089243 /nfs/dbraw/zinc/08/92/43/504089243.db2.gz YKXPFNDIDNUSIQ-MRXNPFEDSA-N 1 1 359.433 3.196 20 30 FGEDMO CCOc1cc(C[N@H+](CCC#N)C(C)C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000534341808 504116614 /nfs/dbraw/zinc/11/66/14/504116614.db2.gz YXYLLAILEKNUFH-INIZCTEOSA-N 1 1 361.486 3.065 20 30 FGEDMO CCOc1cc(C[N@@H+](CCC#N)C(C)C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000534341808 504116617 /nfs/dbraw/zinc/11/66/17/504116617.db2.gz YXYLLAILEKNUFH-INIZCTEOSA-N 1 1 361.486 3.065 20 30 FGEDMO C[C@H]1C[NH+](CCC2CCN(Cc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000530939624 504136827 /nfs/dbraw/zinc/13/68/27/504136827.db2.gz HGNJSPOLCZMIAX-IRXDYDNUSA-N 1 1 359.489 3.409 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528293682 504153137 /nfs/dbraw/zinc/15/31/37/504153137.db2.gz INAWSXFSPOSDOL-ICSRJNTNSA-N 1 1 352.482 3.252 20 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FGEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000538627522 504308142 /nfs/dbraw/zinc/30/81/42/504308142.db2.gz ISSIMYGWKXNYRI-KRWDZBQOSA-N 1 1 359.495 3.132 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](CO)c2cccc(F)c2)c1C ZINC000541949003 504313214 /nfs/dbraw/zinc/31/32/14/504313214.db2.gz PNEKJEJFDMYJFP-LJQANCHMSA-N 1 1 369.440 3.012 20 30 FGEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]2C ZINC000541988896 504326466 /nfs/dbraw/zinc/32/64/66/504326466.db2.gz CCDFDHRXFYCAKO-FRQCXROJSA-N 1 1 366.461 3.314 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)cc1 ZINC000519793615 504341539 /nfs/dbraw/zinc/34/15/39/504341539.db2.gz RXYZDXWNIUAWDE-HXUWFJFHSA-N 1 1 365.477 3.452 20 30 FGEDMO N#CC1(CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000519803222 504344122 /nfs/dbraw/zinc/34/41/22/504344122.db2.gz OVZBZSBPQAYLMN-UHFFFAOYSA-N 1 1 374.488 3.407 20 30 FGEDMO C=CC[N@@H+](Cc1cccc2c1OCO2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538731464 504347362 /nfs/dbraw/zinc/34/73/62/504347362.db2.gz NFGPGCYYXOMKNP-HNNXBMFYSA-N 1 1 363.421 3.140 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000538782700 504369801 /nfs/dbraw/zinc/36/98/01/504369801.db2.gz ABVIXCYDUYOJGL-GOSISDBHSA-N 1 1 359.433 3.011 20 30 FGEDMO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000531644809 504374609 /nfs/dbraw/zinc/37/46/09/504374609.db2.gz XYADSPOMWVORMH-AZUAARDMSA-N 1 1 368.525 3.107 20 30 FGEDMO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000531644809 504374612 /nfs/dbraw/zinc/37/46/12/504374612.db2.gz XYADSPOMWVORMH-AZUAARDMSA-N 1 1 368.525 3.107 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000545294505 504432292 /nfs/dbraw/zinc/43/22/92/504432292.db2.gz AKZNXBCQEBILIV-YJBOKZPZSA-N 1 1 354.454 3.047 20 30 FGEDMO C=CCOc1ccc(CNC[C@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000520208413 504435781 /nfs/dbraw/zinc/43/57/81/504435781.db2.gz SPQWEVREINRDSA-KRWDZBQOSA-N 1 1 352.906 3.351 20 30 FGEDMO C=CCOc1ccc(CNC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000520208413 504435786 /nfs/dbraw/zinc/43/57/86/504435786.db2.gz SPQWEVREINRDSA-KRWDZBQOSA-N 1 1 352.906 3.351 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1ccccc1O ZINC000542322390 504450480 /nfs/dbraw/zinc/45/04/80/504450480.db2.gz IIZCZYQZSXBTSN-UHFFFAOYSA-N 1 1 369.490 3.317 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000520319146 504465212 /nfs/dbraw/zinc/46/52/12/504465212.db2.gz YNFFLFPLUYHIKR-MSOLQXFVSA-N 1 1 363.461 3.058 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000520319146 504465216 /nfs/dbraw/zinc/46/52/16/504465216.db2.gz YNFFLFPLUYHIKR-MSOLQXFVSA-N 1 1 363.461 3.058 20 30 FGEDMO C=CCOc1cccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000531927827 504476801 /nfs/dbraw/zinc/47/68/01/504476801.db2.gz MYCPLFOVRIZXOS-RBUKOAKNSA-N 1 1 359.470 3.016 20 30 FGEDMO CCC(C#N)(CC)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000528983547 504482763 /nfs/dbraw/zinc/48/27/63/504482763.db2.gz VWODCNIQUPLKMX-RBUKOAKNSA-N 1 1 355.482 3.419 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000548617458 504498559 /nfs/dbraw/zinc/49/85/59/504498559.db2.gz GJQUDLHSTWNGEZ-KSSFIOAISA-N 1 1 363.889 3.078 20 30 FGEDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)cn2)CC1 ZINC000539608590 504625196 /nfs/dbraw/zinc/62/51/96/504625196.db2.gz SYBRRWXOUBAYOL-MRXNPFEDSA-N 1 1 367.472 3.085 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C#N ZINC000532528830 504683985 /nfs/dbraw/zinc/68/39/85/504683985.db2.gz XLUMBNVAIYRYSU-RDTXWAMCSA-N 1 1 370.522 3.109 20 30 FGEDMO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1nc2c(s1)CCCC2 ZINC000532568828 504694213 /nfs/dbraw/zinc/69/42/13/504694213.db2.gz QCYQMWRHVBBKLF-UHFFFAOYSA-N 1 1 360.508 3.416 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1nc2c(s1)CCCC2 ZINC000532568828 504694219 /nfs/dbraw/zinc/69/42/19/504694219.db2.gz QCYQMWRHVBBKLF-UHFFFAOYSA-N 1 1 360.508 3.416 20 30 FGEDMO C[C@H](C#N)CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549126161 504695322 /nfs/dbraw/zinc/69/53/22/504695322.db2.gz LZBQOOZKCBYQCK-JRGCBEDISA-N 1 1 362.477 3.113 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000546103018 504710106 /nfs/dbraw/zinc/71/01/06/504710106.db2.gz ALDFUXCWIHJIKC-IBGZPJMESA-N 1 1 369.509 3.441 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000546103018 504710112 /nfs/dbraw/zinc/71/01/12/504710112.db2.gz ALDFUXCWIHJIKC-IBGZPJMESA-N 1 1 369.509 3.441 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549186379 504716770 /nfs/dbraw/zinc/71/67/70/504716770.db2.gz LAVGRCHYWGGWJG-KRWDZBQOSA-N 1 1 371.378 3.338 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@@H](O)C1 ZINC000539882040 504727870 /nfs/dbraw/zinc/72/78/70/504727870.db2.gz HWUOLCKMQABZRL-CYGODWOOSA-N 1 1 374.488 3.231 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H](O)C1 ZINC000539882040 504727877 /nfs/dbraw/zinc/72/78/77/504727877.db2.gz HWUOLCKMQABZRL-CYGODWOOSA-N 1 1 374.488 3.231 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H](O)C1 ZINC000539882040 504727881 /nfs/dbraw/zinc/72/78/81/504727881.db2.gz HWUOLCKMQABZRL-CYGODWOOSA-N 1 1 374.488 3.231 20 30 FGEDMO C=CCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000532661714 504728493 /nfs/dbraw/zinc/72/84/93/504728493.db2.gz UFLCAFAIIAEEFM-ZDUSSCGKSA-N 1 1 352.276 3.461 20 30 FGEDMO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000521518935 504751826 /nfs/dbraw/zinc/75/18/26/504751826.db2.gz XENJBEDXELSENO-UHFFFAOYSA-N 1 1 359.861 3.038 20 30 FGEDMO C=CCCCCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000555971668 504775114 /nfs/dbraw/zinc/77/51/14/504775114.db2.gz OKFYCAMCQBHDAJ-SFHVURJKSA-N 1 1 371.525 3.007 20 30 FGEDMO C[C@H]1OCC[C@@]12C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](C)O2 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N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000609997448 507065453 /nfs/dbraw/zinc/06/54/53/507065453.db2.gz PQZKHUITTGFCCF-OAQYLSRUSA-N 1 1 366.509 3.004 20 30 FGEDMO COC[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000591015698 507079304 /nfs/dbraw/zinc/07/93/04/507079304.db2.gz CPNAOWGXBKZCOF-KBPBESRZSA-N 1 1 361.511 3.184 20 30 FGEDMO Cc1ccc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)nc1 ZINC000591039555 507089212 /nfs/dbraw/zinc/08/92/12/507089212.db2.gz GGTSJHLSOZGAGU-UHFFFAOYSA-N 1 1 354.479 3.273 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000591065880 507097645 /nfs/dbraw/zinc/09/76/45/507097645.db2.gz FSTUASXWVAPAOC-BHIFYINESA-N 1 1 359.473 3.395 20 30 FGEDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)NCc4ccc(CC#N)cc4)cc3c2C1 ZINC000597802994 507111786 /nfs/dbraw/zinc/11/17/86/507111786.db2.gz JQSFRLOKOOLMOI-UHFFFAOYSA-N 1 1 358.445 3.152 20 30 FGEDMO C[N@H+]1CCc2[nH]c3ccc(C(=O)NCc4ccc(CC#N)cc4)cc3c2C1 ZINC000597802994 507111792 /nfs/dbraw/zinc/11/17/92/507111792.db2.gz JQSFRLOKOOLMOI-UHFFFAOYSA-N 1 1 358.445 3.152 20 30 FGEDMO COCCC[N@@H+](C)CCOc1ccc(-c2cnc3[nH]cc(C#N)c3c2)cc1 ZINC000600776558 507115251 /nfs/dbraw/zinc/11/52/51/507115251.db2.gz OLWABPZWDNVXID-UHFFFAOYSA-N 1 1 364.449 3.449 20 30 FGEDMO C[C@@H](Nc1cc(C#N)c2ccccc2n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160214 507119737 /nfs/dbraw/zinc/11/97/37/507119737.db2.gz ADVXEORLQIWYCZ-VGSWGCGISA-N 1 1 372.472 3.230 20 30 FGEDMO C[C@@H](Nc1cc(C#N)c2ccccc2n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160214 507119745 /nfs/dbraw/zinc/11/97/45/507119745.db2.gz ADVXEORLQIWYCZ-VGSWGCGISA-N 1 1 372.472 3.230 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1C#N ZINC000594420397 507124761 /nfs/dbraw/zinc/12/47/61/507124761.db2.gz STUCEJYPUYPBLS-SJLPKXTDSA-N 1 1 370.522 3.299 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000597857382 507136483 /nfs/dbraw/zinc/13/64/83/507136483.db2.gz FXDWYNXPVAIZSV-KRWDZBQOSA-N 1 1 364.449 3.348 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000610216043 507143348 /nfs/dbraw/zinc/14/33/48/507143348.db2.gz GIWJBQYMKHMIAF-NQSCKRDGSA-N 1 1 350.462 3.424 20 30 FGEDMO N#Cc1cnc2c(F)ccc(F)c2c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000610245502 507157716 /nfs/dbraw/zinc/15/77/16/507157716.db2.gz KJFCWXJSNWGMHB-UHFFFAOYSA-N 1 1 365.387 3.102 20 30 FGEDMO CC(C)[C@@H]1[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCCCC2 ZINC000591242825 507167405 /nfs/dbraw/zinc/16/74/05/507167405.db2.gz ARMMNCOHVDBFKN-SFHVURJKSA-N 1 1 361.511 3.018 20 30 FGEDMO CC(C)[C@@H]1[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCCCC2 ZINC000591242825 507167410 /nfs/dbraw/zinc/16/74/10/507167410.db2.gz ARMMNCOHVDBFKN-SFHVURJKSA-N 1 1 361.511 3.018 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000597923110 507175745 /nfs/dbraw/zinc/17/57/45/507175745.db2.gz LJHAZLYXNMMBSQ-QGZVFWFLSA-N 1 1 364.449 3.348 20 30 FGEDMO C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000594551843 507182015 /nfs/dbraw/zinc/18/20/15/507182015.db2.gz SFFSOKQUMUQUHO-MORSLUCNSA-N 1 1 360.889 3.145 20 30 FGEDMO C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000594551843 507182019 /nfs/dbraw/zinc/18/20/19/507182019.db2.gz SFFSOKQUMUQUHO-MORSLUCNSA-N 1 1 360.889 3.145 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)noc1C ZINC000610342472 507201819 /nfs/dbraw/zinc/20/18/19/507201819.db2.gz XQNBTQBGEUZMDW-DZGCQCFKSA-N 1 1 370.453 3.286 20 30 FGEDMO C[C@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000610348923 507205078 /nfs/dbraw/zinc/20/50/78/507205078.db2.gz BJEWRSUZGNLOSD-AWEZNQCLSA-N 1 1 354.479 3.038 20 30 FGEDMO C[C@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000610348923 507205090 /nfs/dbraw/zinc/20/50/90/507205090.db2.gz BJEWRSUZGNLOSD-AWEZNQCLSA-N 1 1 354.479 3.038 20 30 FGEDMO N#Cc1ccccc1OCc1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000594650656 507221366 /nfs/dbraw/zinc/22/13/66/507221366.db2.gz ZJBNCLMDWCJLTR-HXUWFJFHSA-N 1 1 359.433 3.176 20 30 FGEDMO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)cc1 ZINC000601114425 507266483 /nfs/dbraw/zinc/26/64/83/507266483.db2.gz PQVUCVNOVGLLDJ-GOSISDBHSA-N 1 1 373.460 3.143 20 30 FGEDMO CC(C)(c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1)c1cc(F)cc(C#N)c1 ZINC000584317854 507276050 /nfs/dbraw/zinc/27/60/50/507276050.db2.gz JJPCILSSQYLDLI-JXFKEZNVSA-N 1 1 370.428 3.332 20 30 FGEDMO CC(C)(c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1)c1cc(F)cc(C#N)c1 ZINC000584317854 507276058 /nfs/dbraw/zinc/27/60/58/507276058.db2.gz JJPCILSSQYLDLI-JXFKEZNVSA-N 1 1 370.428 3.332 20 30 FGEDMO N#CC1(c2ccc(CNC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)cc2)CC1 ZINC000594931856 507319594 /nfs/dbraw/zinc/31/95/94/507319594.db2.gz SPKRWCGWWAMXLI-RTWAWAEBSA-N 1 1 353.510 3.099 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000598217793 507321144 /nfs/dbraw/zinc/32/11/44/507321144.db2.gz BTUZVHGQHKTLFN-GHTZIAJQSA-N 1 1 366.509 3.050 20 30 FGEDMO CC(C)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C(=O)Nc1ccccc1 ZINC000610662645 507336393 /nfs/dbraw/zinc/33/63/93/507336393.db2.gz OCQKBDNZLVVYCQ-UHFFFAOYSA-N 1 1 370.840 3.157 20 30 FGEDMO CC(C)([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C(=O)Nc1ccccc1 ZINC000610662809 507336737 /nfs/dbraw/zinc/33/67/37/507336737.db2.gz YBAIUPRXKMBIAE-UHFFFAOYSA-N 1 1 370.840 3.157 20 30 FGEDMO N#Cc1cccc(C2([NH2+]Cc3nccn3CC(F)(F)F)CCOCC2)c1 ZINC000594984722 507341455 /nfs/dbraw/zinc/34/14/55/507341455.db2.gz SELLGFRXOXHOPA-UHFFFAOYSA-N 1 1 364.371 3.113 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000610676970 507342867 /nfs/dbraw/zinc/34/28/67/507342867.db2.gz KRLYUUUWYSLCEP-UYAOXDASSA-N 1 1 354.425 3.121 20 30 FGEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000595092122 507388278 /nfs/dbraw/zinc/38/82/78/507388278.db2.gz XICPVKRXUYAMAF-INIZCTEOSA-N 1 1 361.511 3.351 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCOC(C)(C)C ZINC000610859886 507417825 /nfs/dbraw/zinc/41/78/25/507417825.db2.gz SJXMEJIYQZDFFK-MRXNPFEDSA-N 1 1 361.486 3.077 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCOC(C)(C)C ZINC000610859886 507417830 /nfs/dbraw/zinc/41/78/30/507417830.db2.gz SJXMEJIYQZDFFK-MRXNPFEDSA-N 1 1 361.486 3.077 20 30 FGEDMO N#CC1(CC(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000601728232 507440785 /nfs/dbraw/zinc/44/07/85/507440785.db2.gz PYZWGTFBKLCJPG-HXUWFJFHSA-N 1 1 369.509 3.258 20 30 FGEDMO CC[N@@H+](Cc1ccc(S(=O)(=O)NC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295199 507450465 /nfs/dbraw/zinc/45/04/65/507450465.db2.gz HYPWAFGQKOUZPG-HNNXBMFYSA-N 1 1 357.479 3.049 20 30 FGEDMO CC[N@@H+](Cc1ccc(S(=O)(=O)NC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000595295200 507451795 /nfs/dbraw/zinc/45/17/95/507451795.db2.gz HYPWAFGQKOUZPG-OAHLLOKOSA-N 1 1 357.479 3.049 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000592028705 507458846 /nfs/dbraw/zinc/45/88/46/507458846.db2.gz RQVFHGDHZKQEPP-UHFFFAOYSA-N 1 1 364.449 3.209 20 30 FGEDMO N#Cc1ccc(CC[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000595362629 507471386 /nfs/dbraw/zinc/47/13/86/507471386.db2.gz MTVUUKXNNXLSQN-UHFFFAOYSA-N 1 1 367.880 3.141 20 30 FGEDMO C=C(C)[C@H](CC(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1)OCC ZINC000614383685 507490522 /nfs/dbraw/zinc/49/05/22/507490522.db2.gz OAVKIYDTAURYEA-KRWDZBQOSA-N 1 1 354.878 3.074 20 30 FGEDMO C=C(C)[C@H](CC(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1)OCC ZINC000614383685 507490528 /nfs/dbraw/zinc/49/05/28/507490528.db2.gz OAVKIYDTAURYEA-KRWDZBQOSA-N 1 1 354.878 3.074 20 30 FGEDMO Cc1cc(C)c2c(c1)C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)CC2 ZINC000614415989 507502752 /nfs/dbraw/zinc/50/27/52/507502752.db2.gz HCHNNHTYSHRIHC-FQEVSTJZSA-N 1 1 350.462 3.168 20 30 FGEDMO CC[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C ZINC000611092214 507513773 /nfs/dbraw/zinc/51/37/73/507513773.db2.gz LQBCADONEURUOX-OAHLLOKOSA-N 1 1 374.554 3.243 20 30 FGEDMO CC[N@H+]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C[C@H]1C ZINC000611092544 507513866 /nfs/dbraw/zinc/51/38/66/507513866.db2.gz YHWZAHZPWXMJQR-OAHLLOKOSA-N 1 1 371.529 3.056 20 30 FGEDMO CC[N@H+]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@@H]1C ZINC000611096910 507516499 /nfs/dbraw/zinc/51/64/99/507516499.db2.gz RSDVARQIHVELLA-HNNXBMFYSA-N 1 1 365.437 3.303 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592182513 507527039 /nfs/dbraw/zinc/52/70/39/507527039.db2.gz CCAHYQMHEDICNY-ROUUACIJSA-N 1 1 355.482 3.213 20 30 FGEDMO C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCOCC2 ZINC000592182536 507527879 /nfs/dbraw/zinc/52/78/79/507527879.db2.gz CWFDCXHJEYPQRD-AWEZNQCLSA-N 1 1 361.873 3.431 20 30 FGEDMO C[C@@H]1CC2(C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1)CCOCC2 ZINC000592182510 507528310 /nfs/dbraw/zinc/52/83/10/507528310.db2.gz CBRJRKKZKPJAFU-MRXNPFEDSA-N 1 1 350.466 3.350 20 30 FGEDMO N#CC1(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCCC1 ZINC000595490351 507528334 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C=C(Br)CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000726244361 722432303 /nfs/dbraw/zinc/43/23/03/722432303.db2.gz FUJGFJVFICTHOH-MRXNPFEDSA-N 1 1 366.303 3.106 20 30 FGEDMO C#Cc1cccc(NC(=S)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000726475428 722435125 /nfs/dbraw/zinc/43/51/25/722435125.db2.gz POXDTBZECKVGBP-UHFFFAOYSA-N 1 1 355.532 3.287 20 30 FGEDMO CCOCCC[N@H+]1CCC(N=Nc2ccc(Br)cn2)[C@H](C)C1 ZINC000735229478 722513524 /nfs/dbraw/zinc/51/35/24/722513524.db2.gz FOYQGVRHHXAFEM-CYBMUJFWSA-N 1 1 369.307 3.380 20 30 FGEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310191 722514924 /nfs/dbraw/zinc/51/49/24/722514924.db2.gz SQQHHPHSXWQUAB-OAHLLOKOSA-N 1 1 363.889 3.371 20 30 FGEDMO C#CCSCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000740032222 722534805 /nfs/dbraw/zinc/53/48/05/722534805.db2.gz GPRATGQVCMVBRH-QGZVFWFLSA-N 1 1 359.539 3.084 20 30 FGEDMO Cc1ncc(CO)c(/C=N\C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1O ZINC000741465306 722546146 /nfs/dbraw/zinc/54/61/46/722546146.db2.gz UESPHFFCQFMEEJ-CYEMMQIZSA-N 1 1 359.495 3.151 20 30 FGEDMO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000754701769 722944669 /nfs/dbraw/zinc/94/46/69/722944669.db2.gz MIFPUWVDVLSIDS-ZDUSSCGKSA-N 1 1 350.447 3.135 20 30 FGEDMO Brc1cccc2[nH]cc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)c21 ZINC000754711866 722944788 /nfs/dbraw/zinc/94/47/88/722944788.db2.gz YYZQWINMVJXORY-CHWSQXEVSA-N 1 1 360.259 3.124 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1csc(Cc2ccccc2F)n1 ZINC000756544811 722966620 /nfs/dbraw/zinc/96/66/20/722966620.db2.gz WRCUMYHYUQMFKB-OAHLLOKOSA-N 1 1 358.438 3.127 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1csc(Cc2ccccc2F)n1 ZINC000756544811 722966621 /nfs/dbraw/zinc/96/66/21/722966621.db2.gz WRCUMYHYUQMFKB-OAHLLOKOSA-N 1 1 358.438 3.127 20 30 FGEDMO C#CC[N@H+](CC(=O)N(C)Cc1ccccc1Br)C1CCCC1 ZINC000756911879 722971805 /nfs/dbraw/zinc/97/18/05/722971805.db2.gz JDDBKOKGFGXMIA-UHFFFAOYSA-N 1 1 363.299 3.285 20 30 FGEDMO C=CCN1CC(=O)N(C[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)C1=O ZINC000761266796 723138446 /nfs/dbraw/zinc/13/84/46/723138446.db2.gz GBRAUIWPCKUBTD-KRWDZBQOSA-N 1 1 361.873 3.145 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000790659169 723165155 /nfs/dbraw/zinc/16/51/55/723165155.db2.gz GSOFOMHMTXSHRK-RHSMWYFYSA-N 1 1 352.400 3.388 20 30 FGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790745970 723172497 /nfs/dbraw/zinc/17/24/97/723172497.db2.gz FTTWRCOUEMFVQK-SJORKVTESA-N 1 1 350.384 3.142 20 30 FGEDMO C=C(Cl)C[NH2+]Cc1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 ZINC000763434227 723343292 /nfs/dbraw/zinc/34/32/92/723343292.db2.gz SCNNXSGOSOPIID-UHFFFAOYSA-N 1 1 366.889 3.319 20 30 FGEDMO CC(C)(C)OC(=O)N1CC(F)(F)CC1=C[NH2+]Nc1ccncc1Cl ZINC000793028761 723393910 /nfs/dbraw/zinc/39/39/10/723393910.db2.gz XPIBAMXWXSRXOB-SNVBAGLBSA-N 1 1 360.792 3.199 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000766640925 723584473 /nfs/dbraw/zinc/58/44/73/723584473.db2.gz YASGASJAJLFLSC-CJNGLKHVSA-N 1 1 350.256 3.193 20 30 FGEDMO N#Cc1ccccc1N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000768241623 723651487 /nfs/dbraw/zinc/65/14/87/723651487.db2.gz YWWQLMHXJCVZEC-UHFFFAOYSA-N 1 1 372.266 3.349 20 30 FGEDMO C[N@@H+](CCOC(=O)CSc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000769102069 723676837 /nfs/dbraw/zinc/67/68/37/723676837.db2.gz KPDZELIZODGQKX-UHFFFAOYSA-N 1 1 358.438 3.465 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](OC)C2)cc1OC ZINC000769445610 723685771 /nfs/dbraw/zinc/68/57/71/723685771.db2.gz IKYHDHFRDWRKRQ-CYBMUJFWSA-N 1 1 356.260 3.243 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](OC)C2)cc1OC ZINC000769445610 723685773 /nfs/dbraw/zinc/68/57/73/723685773.db2.gz IKYHDHFRDWRKRQ-CYBMUJFWSA-N 1 1 356.260 3.243 20 30 FGEDMO Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000769919618 723701006 /nfs/dbraw/zinc/70/10/06/723701006.db2.gz BNPWUTHRYSOCTO-FQEVSTJZSA-N 1 1 355.869 3.376 20 30 FGEDMO C=CCn1c(C)nn(CN2CCC(Oc3cc[nH+]cc3C)CC2)c1=S ZINC000773337122 723782942 /nfs/dbraw/zinc/78/29/42/723782942.db2.gz ZMNOQWCLTUMYMN-UHFFFAOYSA-N 1 1 359.499 3.113 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000798033896 723900464 /nfs/dbraw/zinc/90/04/64/723900464.db2.gz VVXDNCBIUKSGFH-XIRDDKMYSA-N 1 1 350.384 3.165 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000798033896 723900465 /nfs/dbraw/zinc/90/04/65/723900465.db2.gz VVXDNCBIUKSGFH-XIRDDKMYSA-N 1 1 350.384 3.165 20 30 FGEDMO C#Cc1cncc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000798161180 723909020 /nfs/dbraw/zinc/90/90/20/723909020.db2.gz LKONKUSNTTZDDE-IBGZPJMESA-N 1 1 353.853 3.283 20 30 FGEDMO CC(=NNCCC[NH+]1CCOCC1)c1ccc(Br)cc1Cl ZINC000799488978 724034076 /nfs/dbraw/zinc/03/40/76/724034076.db2.gz YRMWUFJSLVDOQN-UHFFFAOYSA-N 1 1 374.710 3.138 20 30 FGEDMO C#C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000775790983 724061641 /nfs/dbraw/zinc/06/16/41/724061641.db2.gz RPAZZJFBDKPZGR-KGLIPLIRSA-N 1 1 360.763 3.068 20 30 FGEDMO C[C@H](C#N)OCCN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000801938116 724348231 /nfs/dbraw/zinc/34/82/31/724348231.db2.gz CLAKMUIFTGRTQQ-KDOFPFPSSA-N 1 1 351.441 3.399 20 30 FGEDMO CCCCCCCOc1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000785980039 724953209 /nfs/dbraw/zinc/95/32/09/724953209.db2.gz VVPMNSGLUDNKOY-IBGZPJMESA-N 1 1 368.543 3.289 20 30 FGEDMO CCCCCCCOc1ccc(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000785980039 724953210 /nfs/dbraw/zinc/95/32/10/724953210.db2.gz VVPMNSGLUDNKOY-IBGZPJMESA-N 1 1 368.543 3.289 20 30 FGEDMO C[C@H]1C[NH+](C(C)(C)CNc2cc(Br)cnc2C#N)C[C@H](C)O1 ZINC000787894271 725040210 /nfs/dbraw/zinc/04/02/10/725040210.db2.gz IMXQORVDKFDYOL-RYUDHWBXSA-N 1 1 367.291 3.015 20 30 FGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805785762 725095218 /nfs/dbraw/zinc/09/52/18/725095218.db2.gz OBCVGSDIMRNDPL-RBOXIYTFSA-N 1 1 353.388 3.144 20 30 FGEDMO Cc1cc(C#N)ccc1CN1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805785762 725095221 /nfs/dbraw/zinc/09/52/21/725095221.db2.gz OBCVGSDIMRNDPL-RBOXIYTFSA-N 1 1 353.388 3.144 20 30 FGEDMO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000809903014 725275186 /nfs/dbraw/zinc/27/51/86/725275186.db2.gz WNNKBQMFLZOGSJ-ZIAGYGMSSA-N 1 1 360.893 3.098 20 30 FGEDMO CN(C)c1cc(Cl)cc(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000811646250 725375652 /nfs/dbraw/zinc/37/56/52/725375652.db2.gz RVVMNEVQZZJYGX-OKILXGFUSA-N 1 1 354.285 3.253 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000812781452 726810195 /nfs/dbraw/zinc/81/01/95/726810195.db2.gz UOUHFBRSUMTBJB-OAQYLSRUSA-N 1 1 355.865 3.488 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](CCOCCC#N)C1 ZINC000815030926 727023022 /nfs/dbraw/zinc/02/30/22/727023022.db2.gz UUGFAEHSBQXPLZ-IAGOWNOFSA-N 1 1 351.491 3.028 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000818595958 727315859 /nfs/dbraw/zinc/31/58/59/727315859.db2.gz WEEAQUCPEONLRC-ZDUSSCGKSA-N 1 1 369.328 3.001 20 30 FGEDMO C#C[C@H](NC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccc(Cl)cc1F ZINC000820745031 729024869 /nfs/dbraw/zinc/02/48/69/729024869.db2.gz PXGZJSKXOXJHKF-GUYCJALGSA-N 1 1 351.853 3.137 20 30 FGEDMO C#C[C@@H](NC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1F ZINC000820755923 729026802 /nfs/dbraw/zinc/02/68/02/729026802.db2.gz UHHGRHICKZOGJU-RHSMWYFYSA-N 1 1 351.853 3.279 20 30 FGEDMO C#C[C@@H](NC(=O)N(CCC)[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1F ZINC000820756223 729027264 /nfs/dbraw/zinc/02/72/64/729027264.db2.gz ZXKMBLXEDOQTMB-WMLDXEAASA-N 1 1 351.853 3.279 20 30 FGEDMO COC(=O)c1nc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)ccc1Cl ZINC000826981401 729420752 /nfs/dbraw/zinc/42/07/52/729420752.db2.gz VDGNWASZNADQGS-GFCCVEGCSA-N 1 1 359.813 3.102 20 30 FGEDMO C#CC1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000830326467 729550382 /nfs/dbraw/zinc/55/03/82/729550382.db2.gz QNNXPLAEKIYCFS-UHFFFAOYSA-N 1 1 352.257 3.406 20 30 FGEDMO C#CC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3C)n2)CC1 ZINC000830337794 729551395 /nfs/dbraw/zinc/55/13/95/729551395.db2.gz DVOCYVMYWICIRK-UHFFFAOYSA-N 1 1 353.491 3.478 20 30 FGEDMO O=C(N1C[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CC[C@@H]2C1)C(F)(F)F ZINC000831573183 729652283 /nfs/dbraw/zinc/65/22/83/729652283.db2.gz YFLUYTOHNZWBOC-CABCVRRESA-N 1 1 370.802 3.034 20 30 FGEDMO C=CCNC(=S)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000840871493 730186189 /nfs/dbraw/zinc/18/61/89/730186189.db2.gz CTYGYFAHFFSGLV-UHFFFAOYSA-N 1 1 368.344 3.064 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC000845460535 730852021 /nfs/dbraw/zinc/85/20/21/730852021.db2.gz DZDQZGKFDTUIPI-OAHLLOKOSA-N 1 1 355.825 3.051 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(-c2ccccc2Cl)nc1 ZINC000845460535 730852026 /nfs/dbraw/zinc/85/20/26/730852026.db2.gz DZDQZGKFDTUIPI-OAHLLOKOSA-N 1 1 355.825 3.051 20 30 FGEDMO C#C[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000847026644 731008757 /nfs/dbraw/zinc/00/87/57/731008757.db2.gz QJBYBTHAIUEDQE-KGLIPLIRSA-N 1 1 354.372 3.108 20 30 FGEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000847030777 731008921 /nfs/dbraw/zinc/00/89/21/731008921.db2.gz RYHCKTYHIYLVKS-QRWLVFNGSA-N 1 1 356.466 3.438 20 30 FGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000847030777 731008925 /nfs/dbraw/zinc/00/89/25/731008925.db2.gz RYHCKTYHIYLVKS-QRWLVFNGSA-N 1 1 356.466 3.438 20 30 FGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC000851779036 731497158 /nfs/dbraw/zinc/49/71/58/731497158.db2.gz PBCAUHJDMNKQNP-INIZCTEOSA-N 1 1 351.491 3.027 20 30 FGEDMO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856782288 732059926 /nfs/dbraw/zinc/05/99/26/732059926.db2.gz ZYIHUHZUABZZNT-BJOHPYRUSA-N 1 1 374.794 3.213 20 30 FGEDMO COC(=O)C1C[C@H](C)[NH+](Cc2cc(Cl)ccc2OCC#N)[C@@H](C)C1 ZINC000860187481 732466353 /nfs/dbraw/zinc/46/63/53/732466353.db2.gz FCLBHCSYSWCWEI-STQMWFEESA-N 1 1 350.846 3.404 20 30 FGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000862444749 732837241 /nfs/dbraw/zinc/83/72/41/732837241.db2.gz GLZMITCEHBLHBF-LBPRGKRZSA-N 1 1 354.353 3.093 20 30 FGEDMO C=CCOc1c(Cl)cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1OC ZINC000863104280 732914999 /nfs/dbraw/zinc/91/49/99/732914999.db2.gz ZTBYEQBAXDIVNI-GJZGRUSLSA-N 1 1 362.861 3.107 20 30 FGEDMO N#CCc1ccsc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000865030818 733131642 /nfs/dbraw/zinc/13/16/42/733131642.db2.gz DOPNCRIRTMQOEU-QGZVFWFLSA-N 1 1 353.491 3.456 20 30 FGEDMO CSc1nnc(SC)n1[NH+]=C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000872418009 735627135 /nfs/dbraw/zinc/62/71/35/735627135.db2.gz XHOXONMBRIRUFF-LLVKDONJSA-N 1 1 371.532 3.345 20 30 FGEDMO CCCCNC(=O)c1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000876930964 736163988 /nfs/dbraw/zinc/16/39/88/736163988.db2.gz IDTZPYHBGGOTKW-UHFFFAOYSA-N 1 1 356.857 3.426 20 30 FGEDMO CC[N@@H+](C[C@H](O)c1cc(Br)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000877991979 736754486 /nfs/dbraw/zinc/75/44/86/736754486.db2.gz UQZLCMRTIBCVMA-FZMZJTMJSA-N 1 1 364.243 3.425 20 30 FGEDMO 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495826299 /nfs/dbraw/zinc/82/62/99/495826299.db2.gz BLOUOWUZRCWIMJ-KRWDZBQOSA-N 1 1 362.477 3.048 20 30 FGEDMO CN(C)c1cccc(C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)c1 ZINC000159859073 495826604 /nfs/dbraw/zinc/82/66/04/495826604.db2.gz LGDLLXSCLOEMFE-UHFFFAOYSA-N 1 1 368.506 3.439 20 30 FGEDMO CN(C)c1cccc(C[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)c1 ZINC000159859073 495826608 /nfs/dbraw/zinc/82/66/08/495826608.db2.gz LGDLLXSCLOEMFE-UHFFFAOYSA-N 1 1 368.506 3.439 20 30 FGEDMO C=CCC[C@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1ccccc1 ZINC000180045651 495835064 /nfs/dbraw/zinc/83/50/64/495835064.db2.gz VYUWYUVDFGRNGS-SFHVURJKSA-N 1 1 373.460 3.378 20 30 FGEDMO CC[C@@H](NC(=O)c1sccc1C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151427616 495836599 /nfs/dbraw/zinc/83/65/99/495836599.db2.gz HABHMOQQKZXLFL-QZTJIDSGSA-N 1 1 369.490 3.029 20 30 FGEDMO CC[C@@H](NC(=O)c1sccc1C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151427616 495836601 /nfs/dbraw/zinc/83/66/01/495836601.db2.gz HABHMOQQKZXLFL-QZTJIDSGSA-N 1 1 369.490 3.029 20 30 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CN(C)c1ccc(C[N@H+](CC(=O)Nc2sccc2C#N)C2CC2)cc1 ZINC000269432369 496946008 /nfs/dbraw/zinc/94/60/08/496946008.db2.gz BUGXSOKTBVPAGW-UHFFFAOYSA-N 1 1 354.479 3.289 20 30 FGEDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2sccc2C#N)C2CC2)cc1 ZINC000269432369 496946010 /nfs/dbraw/zinc/94/60/10/496946010.db2.gz BUGXSOKTBVPAGW-UHFFFAOYSA-N 1 1 354.479 3.289 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1F ZINC000192052754 496977661 /nfs/dbraw/zinc/97/76/61/496977661.db2.gz OLTNIRJHAIPUQZ-LJQANCHMSA-N 1 1 351.425 3.482 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1F ZINC000192052754 496977665 /nfs/dbraw/zinc/97/76/65/496977665.db2.gz OLTNIRJHAIPUQZ-LJQANCHMSA-N 1 1 351.425 3.482 20 30 FGEDMO C#CCN(C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000274049211 497002858 /nfs/dbraw/zinc/00/28/58/497002858.db2.gz BWYQNMSDAQFFGQ-KSSFIOAISA-N 1 1 363.864 3.279 20 30 FGEDMO N#Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000278136615 497016149 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372.472 3.020 20 30 FGEDMO C#CCN(Cc1ccc(F)cc1)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000194732638 497752672 /nfs/dbraw/zinc/75/26/72/497752672.db2.gz BYUWVJLZRKYJIB-UHFFFAOYSA-N 1 1 365.452 3.408 20 30 FGEDMO C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)C1=CC[N@@H+](C)CC1 ZINC000272898947 497756578 /nfs/dbraw/zinc/75/65/78/497756578.db2.gz INHGVELTLLCIOD-HNNXBMFYSA-N 1 1 365.433 3.110 20 30 FGEDMO C=CCC1(C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000191266262 497761948 /nfs/dbraw/zinc/76/19/48/497761948.db2.gz USAYGMIAJCPWBG-UHFFFAOYSA-N 1 1 355.526 3.009 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccn(CCC#N)n2)[C@H]1c1cccs1 ZINC000246708997 497802408 /nfs/dbraw/zinc/80/24/08/497802408.db2.gz KCPKHYCDOWDZKP-YOEHRIQHSA-N 1 1 372.498 3.063 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246765968 497809274 /nfs/dbraw/zinc/80/92/74/497809274.db2.gz NXYCMJLHGZRNFC-BRWVUGGUSA-N 1 1 374.554 3.434 20 30 FGEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C 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C=CCC1(c2nc(-c3ccccc3C[N@@H+]3CCC[C@@H]3C(N)=O)no2)CCC1 ZINC000288980893 497967295 /nfs/dbraw/zinc/96/72/95/497967295.db2.gz IJCICSJRAJCEQA-QGZVFWFLSA-N 1 1 366.465 3.184 20 30 FGEDMO C=CCn1c(-c2scnc2C)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000581310369 505957398 /nfs/dbraw/zinc/95/73/98/505957398.db2.gz XZKPDPDHQWFXAN-IIAWOOMASA-N 1 1 372.542 3.063 20 30 FGEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)C(C)(C)C1 ZINC000329979188 497977132 /nfs/dbraw/zinc/97/71/32/497977132.db2.gz JBTDGZDEYQTONZ-LBPRGKRZSA-N 1 1 372.448 3.387 20 30 FGEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1OCC#N ZINC000280995992 497979667 /nfs/dbraw/zinc/97/96/67/497979667.db2.gz KAAUFLWBQOIBKX-UYAOXDASSA-N 1 1 361.445 3.346 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000329993024 497983890 /nfs/dbraw/zinc/98/38/90/497983890.db2.gz KXNRRXBDPPDZJB-HNNXBMFYSA-N 1 1 369.400 3.190 20 30 FGEDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)C2CCN(c3cnccn3)CC2)CC1 ZINC000330046919 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TYFNBUQVEFANEG-IAGOWNOFSA-N 1 1 369.383 3.099 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c(OC)c1 ZINC000470946205 501865054 /nfs/dbraw/zinc/86/50/54/501865054.db2.gz FEIIURXLNCDRIJ-NUEKZKHPSA-N 1 1 373.415 3.436 20 30 FGEDMO COc1cc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)ccc1C#N ZINC000460603005 501872641 /nfs/dbraw/zinc/87/26/41/501872641.db2.gz YHYHVBHPJXWSSQ-GOSISDBHSA-N 1 1 357.841 3.139 20 30 FGEDMO CN(C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474591822 501884985 /nfs/dbraw/zinc/88/49/85/501884985.db2.gz CTWDDDSCCGIEHF-SFHVURJKSA-N 1 1 352.413 3.436 20 30 FGEDMO CN(C(=O)c1ccc(NC(=O)CCCCCC#N)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000588541723 506285054 /nfs/dbraw/zinc/28/50/54/506285054.db2.gz BBMNALLELWUEIY-LJQANCHMSA-N 1 1 370.497 3.265 20 30 FGEDMO Cc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596167326 506289966 /nfs/dbraw/zinc/28/99/66/506289966.db2.gz BWHNWDHJQIWMEM-UHFFFAOYSA-N 1 1 354.385 3.236 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000478694759 502059767 /nfs/dbraw/zinc/05/97/67/502059767.db2.gz AFHLAXVYFMRFAQ-HLIPFELVSA-N 1 1 357.498 3.341 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)C1CC1 ZINC000482478079 502081165 /nfs/dbraw/zinc/08/11/65/502081165.db2.gz NHFNXIZLABCGBR-SFHVURJKSA-N 1 1 368.868 3.247 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000464814501 502102579 /nfs/dbraw/zinc/10/25/79/502102579.db2.gz PYGDLMMLAGSUIU-RTWAWAEBSA-N 1 1 373.456 3.444 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000464814501 502102585 /nfs/dbraw/zinc/10/25/85/502102585.db2.gz PYGDLMMLAGSUIU-RTWAWAEBSA-N 1 1 373.456 3.444 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc(C#N)cn2C)cc1 ZINC000471679358 502107255 /nfs/dbraw/zinc/10/72/55/502107255.db2.gz OFZVAERVRRHYBH-MRXNPFEDSA-N 1 1 350.466 3.201 20 30 FGEDMO Cc1ncc(CNC(=O)CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)s1 ZINC000602781054 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502853300 /nfs/dbraw/zinc/85/33/00/502853300.db2.gz AGAGVUDWBFVRSS-OAQYLSRUSA-N 1 1 363.509 3.361 20 30 FGEDMO Cc1cc(C)c(C#N)c(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000513106800 502853303 /nfs/dbraw/zinc/85/33/03/502853303.db2.gz AGAGVUDWBFVRSS-OAQYLSRUSA-N 1 1 363.509 3.361 20 30 FGEDMO Cc1cc(C)c(C#N)c(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000513106800 502853307 /nfs/dbraw/zinc/85/33/07/502853307.db2.gz AGAGVUDWBFVRSS-OAQYLSRUSA-N 1 1 363.509 3.361 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889579 506338918 /nfs/dbraw/zinc/33/89/18/506338918.db2.gz WXRCGTHHCXUGPW-QAPCUYQASA-N 1 1 371.444 3.318 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889579 506338921 /nfs/dbraw/zinc/33/89/21/506338921.db2.gz WXRCGTHHCXUGPW-QAPCUYQASA-N 1 1 371.444 3.318 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602890072 506339092 /nfs/dbraw/zinc/33/90/92/506339092.db2.gz 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Cc1c(C#N)cccc1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000513828958 503032218 /nfs/dbraw/zinc/03/22/18/503032218.db2.gz SSHRBQOTCOYZBH-HXUWFJFHSA-N 1 1 362.477 3.388 20 30 FGEDMO N#Cc1ccc(CN2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000506071985 503041596 /nfs/dbraw/zinc/04/15/96/503041596.db2.gz PMYRXCAROHTNQW-UHFFFAOYSA-N 1 1 357.461 3.266 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)cc1 ZINC000506071985 503041601 /nfs/dbraw/zinc/04/16/01/503041601.db2.gz PMYRXCAROHTNQW-UHFFFAOYSA-N 1 1 357.461 3.266 20 30 FGEDMO O=C(NCC#Cc1cccc(F)c1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000513913030 503047282 /nfs/dbraw/zinc/04/72/82/503047282.db2.gz KSEGMDROVRAYJO-OAQYLSRUSA-N 1 1 368.427 3.487 20 30 FGEDMO O=C(NCC#Cc1cccc(F)c1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000513913030 503047288 /nfs/dbraw/zinc/04/72/88/503047288.db2.gz KSEGMDROVRAYJO-OAQYLSRUSA-N 1 1 368.427 3.487 20 30 FGEDMO C[C@@H]1CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000501772343 503076261 /nfs/dbraw/zinc/07/62/61/503076261.db2.gz FSORBEYEZKWPCD-CABCVRRESA-N 1 1 352.400 3.151 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H](CNc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000596309352 506350403 /nfs/dbraw/zinc/35/04/03/506350403.db2.gz ZIJSLKROKAFAMK-LLVKDONJSA-N 1 1 362.399 3.478 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000506481633 503124496 /nfs/dbraw/zinc/12/44/96/503124496.db2.gz PWCHSRKPRJYXET-UHFFFAOYSA-N 1 1 351.425 3.021 20 30 FGEDMO Cc1ncccc1Cn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2 ZINC000596315654 506353708 /nfs/dbraw/zinc/35/37/08/506353708.db2.gz DUHNCEKQZBPYEZ-UHFFFAOYSA-N 1 1 370.456 3.030 20 30 FGEDMO N#Cc1ccnc(N2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)c1 ZINC000506688623 503156822 /nfs/dbraw/zinc/15/68/22/503156822.db2.gz ILTFLFICSCBNRS-UHFFFAOYSA-N 1 1 361.474 3.399 20 30 FGEDMO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)nc1 ZINC000593041008 506355278 /nfs/dbraw/zinc/35/52/78/506355278.db2.gz MUSFEFHGMLABDO-INIZCTEOSA-N 1 1 370.497 3.001 20 30 FGEDMO C[N@@H+](Cc1ccccc1NC(=O)C(=O)NCC(C)(C)C#N)C1CCCCC1 ZINC000510671062 503169026 /nfs/dbraw/zinc/16/90/26/503169026.db2.gz VVQOWOHBSRXNPU-UHFFFAOYSA-N 1 1 370.497 3.056 20 30 FGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000593045592 506356945 /nfs/dbraw/zinc/35/69/45/506356945.db2.gz JELXCBYFKXQXSI-TZIWHRDSSA-N 1 1 354.425 3.101 20 30 FGEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000506960762 503202033 /nfs/dbraw/zinc/20/20/33/503202033.db2.gz NGOVQDLYQZKQKD-ZIAGYGMSSA-N 1 1 358.392 3.168 20 30 FGEDMO COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000602931960 506358000 /nfs/dbraw/zinc/35/80/00/506358000.db2.gz KIMUPGMQCLPBJF-UHFFFAOYSA-N 1 1 363.461 3.270 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCNc2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000507116777 503234166 /nfs/dbraw/zinc/23/41/66/503234166.db2.gz RSXIHZHVMPBYFB-CYBMUJFWSA-N 1 1 360.408 3.274 20 30 FGEDMO COCC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000502624138 503240643 /nfs/dbraw/zinc/24/06/43/503240643.db2.gz VWPYLCBFNWYPCK-WFASDCNBSA-N 1 1 373.478 3.396 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000507536044 503317057 /nfs/dbraw/zinc/31/70/57/503317057.db2.gz QKIKFHCVOLRICG-YJBOKZPZSA-N 1 1 351.425 3.192 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000515510843 503354614 /nfs/dbraw/zinc/35/46/14/503354614.db2.gz YVLYXKANPIYWEA-VQTJNVASSA-N 1 1 354.425 3.144 20 30 FGEDMO COc1cccc([C@@H](C)[NH+]2CCN(CCOc3ccccc3C#N)CC2)c1 ZINC000507721129 503355498 /nfs/dbraw/zinc/35/54/98/503355498.db2.gz YXYFKZWQYFMRDA-GOSISDBHSA-N 1 1 365.477 3.324 20 30 FGEDMO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[C@H]1C ZINC000507772396 503363407 /nfs/dbraw/zinc/36/34/07/503363407.db2.gz QSYDWZVCJFCPGY-WWMYMODYSA-N 1 1 369.509 3.342 20 30 FGEDMO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507849228 503379598 /nfs/dbraw/zinc/37/95/98/503379598.db2.gz YIVUXTDZPJCXOU-QGZVFWFLSA-N 1 1 363.461 3.106 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)C1=O ZINC000499705366 503462459 /nfs/dbraw/zinc/46/24/59/503462459.db2.gz JUEVHECXNWHQIJ-WBMJQRKESA-N 1 1 357.281 3.479 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCCOC1 ZINC000593070040 506373544 /nfs/dbraw/zinc/37/35/44/506373544.db2.gz NCFOOOWTMJYSAX-HOTGVXAUSA-N 1 1 361.511 3.378 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCCOC1 ZINC000593070040 506373549 /nfs/dbraw/zinc/37/35/49/506373549.db2.gz NCFOOOWTMJYSAX-HOTGVXAUSA-N 1 1 361.511 3.378 20 30 FGEDMO C=C(C)C[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc(CO)o1 ZINC000512183195 503479234 /nfs/dbraw/zinc/47/92/34/503479234.db2.gz FZSBNEVABONSRM-UHFFFAOYSA-N 1 1 353.422 3.042 20 30 FGEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3nc4c(cc3C#N)CCC4)c2)CCO1 ZINC000516362117 503501379 /nfs/dbraw/zinc/50/13/79/503501379.db2.gz IRWMZRYGQUCLJB-INIZCTEOSA-N 1 1 362.477 3.275 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3nc4c(cc3C#N)CCC4)c2)CCO1 ZINC000516362117 503501383 /nfs/dbraw/zinc/50/13/83/503501383.db2.gz IRWMZRYGQUCLJB-INIZCTEOSA-N 1 1 362.477 3.275 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000494247172 503511164 /nfs/dbraw/zinc/51/11/64/503511164.db2.gz IBSVWZUXAZSCHG-UHFFFAOYSA-N 1 1 372.694 3.296 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(F)c(F)c1 ZINC000504031851 503512832 /nfs/dbraw/zinc/51/28/32/503512832.db2.gz GGBJXJRFZKJMPS-IEBWSBKVSA-N 1 1 370.403 3.185 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(F)c(F)c1 ZINC000504031851 503512837 /nfs/dbraw/zinc/51/28/37/503512837.db2.gz GGBJXJRFZKJMPS-IEBWSBKVSA-N 1 1 370.403 3.185 20 30 FGEDMO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000508740158 503554708 /nfs/dbraw/zinc/55/47/08/503554708.db2.gz ORNCGLANCFMASF-IBGZPJMESA-N 1 1 364.497 3.389 20 30 FGEDMO CCC[N@H+](CCN1CCCC1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000512467448 503562085 /nfs/dbraw/zinc/56/20/85/503562085.db2.gz CQSBYPRDRKWAHR-UHFFFAOYSA-N 1 1 351.498 3.267 20 30 FGEDMO CCC[N@@H+](CCN1CCCC1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000512467448 503562090 /nfs/dbraw/zinc/56/20/90/503562090.db2.gz CQSBYPRDRKWAHR-UHFFFAOYSA-N 1 1 351.498 3.267 20 30 FGEDMO COc1cccc(C2(F)CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000500158604 503567267 /nfs/dbraw/zinc/56/72/67/503567267.db2.gz YAXDQBXARQQOGC-IBGZPJMESA-N 1 1 361.461 3.010 20 30 FGEDMO C=CCn1c(-c2ccoc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508834189 503573043 /nfs/dbraw/zinc/57/30/43/503573043.db2.gz SNCOXDYBPKHZQH-MAUKXSAKSA-N 1 1 353.470 3.177 20 30 FGEDMO C[C@@H]1[C@H](C)N(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[N@@H+]1C ZINC000540053020 503653552 /nfs/dbraw/zinc/65/35/52/503653552.db2.gz YZLRGCXMJOMYSN-SJORKVTESA-N 1 1 363.461 3.302 20 30 FGEDMO C=CC1CC[NH+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000532965641 503677881 /nfs/dbraw/zinc/67/78/81/503677881.db2.gz JJBMHHGIUGNVPA-UHFFFAOYSA-N 1 1 352.360 3.418 20 30 FGEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000532967100 503679067 /nfs/dbraw/zinc/67/90/67/503679067.db2.gz APKBYEVVTUGRGF-XLIONFOSSA-N 1 1 361.445 3.162 20 30 FGEDMO N#CCc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000543206591 503679239 /nfs/dbraw/zinc/67/92/39/503679239.db2.gz SZACYRYGFRMTIW-UHFFFAOYSA-N 1 1 351.425 3.240 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(F)c1 ZINC000527292953 503755729 /nfs/dbraw/zinc/75/57/29/503755729.db2.gz DRPIBNSKRSAKOH-LJQANCHMSA-N 1 1 373.378 3.256 20 30 FGEDMO N#Cc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000517623184 503788352 /nfs/dbraw/zinc/78/83/52/503788352.db2.gz SWYFLRIKUMACQW-IBGZPJMESA-N 1 1 355.482 3.098 20 30 FGEDMO COc1cc(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000517636970 503792005 /nfs/dbraw/zinc/79/20/05/503792005.db2.gz FQLWUJVYCCZZGI-YJBOKZPZSA-N 1 1 370.497 3.019 20 30 FGEDMO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000537132469 503813495 /nfs/dbraw/zinc/81/34/95/503813495.db2.gz FQEJEAONHUOZRB-VFNWGFHPSA-N 1 1 356.429 3.497 20 30 FGEDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000533423573 503839081 /nfs/dbraw/zinc/83/90/81/503839081.db2.gz MSOGQCDSCKRWRF-INIZCTEOSA-N 1 1 354.454 3.431 20 30 FGEDMO CC(C)COc1cccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000537207538 503842423 /nfs/dbraw/zinc/84/24/23/503842423.db2.gz WARRSWHNIOPCEN-UHFFFAOYSA-N 1 1 350.466 3.310 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c(F)c1 ZINC000540732431 503873359 /nfs/dbraw/zinc/87/33/59/503873359.db2.gz UPLIQKLIMFCKQG-QGZVFWFLSA-N 1 1 361.779 3.385 20 30 FGEDMO CC1(C)C[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000527748059 503927003 /nfs/dbraw/zinc/92/70/03/503927003.db2.gz ZKDGTVNNYLETTO-LJQANCHMSA-N 1 1 369.509 3.186 20 30 FGEDMO CC1(C)C[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C(C)(C)O1 ZINC000527748059 503927008 /nfs/dbraw/zinc/92/70/08/503927008.db2.gz ZKDGTVNNYLETTO-LJQANCHMSA-N 1 1 369.509 3.186 20 30 FGEDMO COC(=O)c1cccc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1C#N ZINC000533758875 503944914 /nfs/dbraw/zinc/94/49/14/503944914.db2.gz NYXRZGDJAAZDKI-MSOLQXFVSA-N 1 1 369.509 3.431 20 30 FGEDMO C=CCSCCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000540959315 503954837 /nfs/dbraw/zinc/95/48/37/503954837.db2.gz HMJXFISZHVZXTJ-UHFFFAOYSA-N 1 1 361.555 3.256 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000518336816 503955074 /nfs/dbraw/zinc/95/50/74/503955074.db2.gz ONOSGZVSXHYCGX-YLJYHZDGSA-N 1 1 369.509 3.486 20 30 FGEDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC000533904219 503985721 /nfs/dbraw/zinc/98/57/21/503985721.db2.gz JRKFPGAFMORXBM-NRFANRHFSA-N 1 1 365.477 3.192 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1C#N ZINC000534109863 504043614 /nfs/dbraw/zinc/04/36/14/504043614.db2.gz FLHMPJRWNTXDQO-DLBZAZTESA-N 1 1 372.513 3.123 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1C#N ZINC000534109863 504043617 /nfs/dbraw/zinc/04/36/17/504043617.db2.gz FLHMPJRWNTXDQO-DLBZAZTESA-N 1 1 372.513 3.123 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3cccc(C#N)c3)CC2)c1 ZINC000530675668 504048821 /nfs/dbraw/zinc/04/88/21/504048821.db2.gz ZPBNJRMFFAIOMB-KRWDZBQOSA-N 1 1 363.461 3.015 20 30 FGEDMO C=CC[N@H+](Cc1cn2cc(C)ccc2n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753122 504055038 /nfs/dbraw/zinc/05/50/38/504055038.db2.gz IEMQRYLERVPUSH-KRWDZBQOSA-N 1 1 373.464 3.368 20 30 FGEDMO C=CC[N@@H+](Cc1cn2cc(C)ccc2n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753122 504055043 /nfs/dbraw/zinc/05/50/43/504055043.db2.gz IEMQRYLERVPUSH-KRWDZBQOSA-N 1 1 373.464 3.368 20 30 FGEDMO COc1ccc(OC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)cc1 ZINC000534335919 504114911 /nfs/dbraw/zinc/11/49/11/504114911.db2.gz LGAPRQHVNPHNSS-UHFFFAOYSA-N 1 1 362.433 3.258 20 30 FGEDMO C=CCc1cc(C(=O)N(CC)C[C@@H]2CCC[N@H+]2CC)cc(OC)c1OC ZINC000547477328 504120635 /nfs/dbraw/zinc/12/06/35/504120635.db2.gz GJPPUYGGBPMMHR-SFHVURJKSA-N 1 1 360.498 3.379 20 30 FGEDMO C=CCOc1cccnc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000538199444 504160182 /nfs/dbraw/zinc/16/01/82/504160182.db2.gz XSOLGEVKCSUDLV-MRXNPFEDSA-N 1 1 355.438 3.196 20 30 FGEDMO C=CCN(CC=C)C(=O)C[NH2+]C(C)(C)c1ccccc1Br ZINC000538224952 504169285 /nfs/dbraw/zinc/16/92/85/504169285.db2.gz NBCAIIXIGXLTKH-UHFFFAOYSA-N 1 1 351.288 3.474 20 30 FGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccccc2C#N)cc1 ZINC000528345539 504179626 /nfs/dbraw/zinc/17/96/26/504179626.db2.gz JUYMYROJXHKCJW-QUCCMNQESA-N 1 1 352.434 3.144 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528351031 504181836 /nfs/dbraw/zinc/18/18/36/504181836.db2.gz ONNKFNHGBBSEJT-NRFANRHFSA-N 1 1 366.509 3.004 20 30 FGEDMO COC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000538275772 504184688 /nfs/dbraw/zinc/18/46/88/504184688.db2.gz JVHPEUKUHPMHBY-IBGZPJMESA-N 1 1 355.413 3.050 20 30 FGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528391276 504202856 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354.498 3.232 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000519903218 504379493 /nfs/dbraw/zinc/37/94/93/504379493.db2.gz JKBSSWYAHOIMME-FQEVSTJZSA-N 1 1 351.425 3.021 20 30 FGEDMO N#Cc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1Cl ZINC000548303139 504392030 /nfs/dbraw/zinc/39/20/30/504392030.db2.gz SHXUSUVQDIGDSI-UHFFFAOYSA-N 1 1 359.882 3.274 20 30 FGEDMO COC(=O)c1cccc(OCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542248995 504422232 /nfs/dbraw/zinc/42/22/32/504422232.db2.gz FGDWWDLGGHMPJU-UHFFFAOYSA-N 1 1 350.418 3.388 20 30 FGEDMO CC(=O)NC1CCC([N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000542249254 504422756 /nfs/dbraw/zinc/42/27/56/504422756.db2.gz ZUBCTFGGXPOCPV-UHFFFAOYSA-N 1 1 352.400 3.436 20 30 FGEDMO C=CCOc1cccnc1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000539358437 504540816 /nfs/dbraw/zinc/54/08/16/504540816.db2.gz ULZYZFKSEYTBAY-SFHVURJKSA-N 1 1 365.477 3.383 20 30 FGEDMO Cc1scnc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000529149852 504553884 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C=C(C)COc1cccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000532434736 504650427 /nfs/dbraw/zinc/65/04/27/504650427.db2.gz WHMLGUNEWWYRMX-VQTJNVASSA-N 1 1 373.497 3.406 20 30 FGEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000532483312 504666612 /nfs/dbraw/zinc/66/66/12/504666612.db2.gz LMBALQWQMMIRBD-CQSZACIVSA-N 1 1 358.404 3.367 20 30 FGEDMO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000542942327 504666864 /nfs/dbraw/zinc/66/68/64/504666864.db2.gz NOBUGGBJAMQAOC-NQIIRXRSSA-N 1 1 364.578 3.263 20 30 FGEDMO COCCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000532490636 504669094 /nfs/dbraw/zinc/66/90/94/504669094.db2.gz IGQCPJNMMQIBAM-UHFFFAOYSA-N 1 1 372.444 3.012 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000546005864 504671690 /nfs/dbraw/zinc/67/16/90/504671690.db2.gz ZANYRJVMEHOFSC-OAHLLOKOSA-N 1 1 364.449 3.135 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1 ZINC000532700215 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QNDVLMUESWMBMI-SJLPKXTDSA-N 1 1 355.482 3.452 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1C#N ZINC000556735190 504958217 /nfs/dbraw/zinc/95/82/17/504958217.db2.gz FBGFUKQOXUSUFA-CYBMUJFWSA-N 1 1 358.511 3.014 20 30 FGEDMO CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000553660850 504976044 /nfs/dbraw/zinc/97/60/44/504976044.db2.gz XQAJBLXLSFAWSS-QGZVFWFLSA-N 1 1 365.477 3.136 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)C[C@@H]3CCC[N@H+]3C)sc2C1 ZINC000562934502 504992937 /nfs/dbraw/zinc/99/29/37/504992937.db2.gz UBKQTZYORIVTST-CABCVRRESA-N 1 1 374.554 3.099 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3CCCN3C)sc2C1 ZINC000562934502 504992942 /nfs/dbraw/zinc/99/29/42/504992942.db2.gz UBKQTZYORIVTST-CABCVRRESA-N 1 1 374.554 3.099 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C[C@@H]3CCCN3C)sc2C1 ZINC000562934502 504992946 /nfs/dbraw/zinc/99/29/46/504992946.db2.gz UBKQTZYORIVTST-CABCVRRESA-N 1 1 374.554 3.099 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000565829745 504999819 /nfs/dbraw/zinc/99/98/19/504999819.db2.gz GNMUJYQHXLJMPV-HNAYVOBHSA-N 1 1 353.466 3.166 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000560178639 505013337 /nfs/dbraw/zinc/01/33/37/505013337.db2.gz TYOYZYWEXJGFBG-MSOLQXFVSA-N 1 1 361.873 3.230 20 30 FGEDMO C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000553867277 505028961 /nfs/dbraw/zinc/02/89/61/505028961.db2.gz NGJYDDCEMCGZKA-MRXNPFEDSA-N 1 1 355.482 3.048 20 30 FGEDMO C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000556966229 505033488 /nfs/dbraw/zinc/03/34/88/505033488.db2.gz WURQIDDLCVNRPC-DOTOQJQBSA-N 1 1 369.484 3.498 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000566038250 505061556 /nfs/dbraw/zinc/06/15/56/505061556.db2.gz LGNDPOQWTFDAMK-VGSWGCGISA-N 1 1 367.493 3.187 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000566038250 505061558 /nfs/dbraw/zinc/06/15/58/505061558.db2.gz LGNDPOQWTFDAMK-VGSWGCGISA-N 1 1 367.493 3.187 20 30 FGEDMO N#Cc1cccc(C2(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000554236611 505122249 /nfs/dbraw/zinc/12/22/49/505122249.db2.gz GEIJJKZDJRTOKA-FQEVSTJZSA-N 1 1 360.461 3.121 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cn2ccccc2n1 ZINC000550919486 505124570 /nfs/dbraw/zinc/12/45/70/505124570.db2.gz OWRDQFYISZIPHZ-YJBOKZPZSA-N 1 1 359.433 3.052 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c(OC(F)F)c1 ZINC000554252334 505125919 /nfs/dbraw/zinc/12/59/19/505125919.db2.gz YMJSAWJOWZBABB-KRWDZBQOSA-N 1 1 359.376 3.346 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)c(OC(F)F)c1 ZINC000554252334 505125922 /nfs/dbraw/zinc/12/59/22/505125922.db2.gz YMJSAWJOWZBABB-KRWDZBQOSA-N 1 1 359.376 3.346 20 30 FGEDMO N#Cc1ccc(OCC[N@@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000554277118 505132288 /nfs/dbraw/zinc/13/22/88/505132288.db2.gz 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20 30 FGEDMO N#Cc1cccc(-c2nnc(N3CC[NH+](Cc4ccco4)CC3)n2C2CC2)c1 ZINC000583029982 506550850 /nfs/dbraw/zinc/55/08/50/506550850.db2.gz AJXJZPUSKITLQK-UHFFFAOYSA-N 1 1 374.448 3.067 20 30 FGEDMO N#Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000589452023 506552954 /nfs/dbraw/zinc/55/29/54/506552954.db2.gz GVDXEOCZZORSBG-WIYYLYMNSA-N 1 1 360.461 3.080 20 30 FGEDMO CCN(Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000599657769 506557669 /nfs/dbraw/zinc/55/76/69/506557669.db2.gz LLZLMMUQLMFOFD-UWJYYQICSA-N 1 1 358.530 3.013 20 30 FGEDMO N#CCc1ccnc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)c1 ZINC000599684742 506579246 /nfs/dbraw/zinc/57/92/46/506579246.db2.gz HMHJXPKGAFLBQI-VQTJNVASSA-N 1 1 360.461 3.244 20 30 FGEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2Cc3cccc(C#N)c3C2)[C@H](C(F)(F)F)C1 ZINC000593370736 506581698 /nfs/dbraw/zinc/58/16/98/506581698.db2.gz NIDJWQHJDCPXJA-HZPDHXFCSA-N 1 1 365.399 3.309 20 30 FGEDMO C[C@@H]1CN(C(=O)NCC2(C#N)CCCC2)CC[N@@H+](Cc2ccccc2)C1 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HUMIESCZVZLVFY-CYBMUJFWSA-N 1 1 360.433 3.044 20 30 FGEDMO N#Cc1nc(N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1Cl ZINC000593496629 506653560 /nfs/dbraw/zinc/65/35/60/506653560.db2.gz UQEBQXPMCXLSGV-OALUTQOASA-N 1 1 368.868 3.086 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596912347 506672884 /nfs/dbraw/zinc/67/28/84/506672884.db2.gz FPJLCBMRPISZMT-HKUYNNGSSA-N 1 1 354.498 3.090 20 30 FGEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000593652646 506715704 /nfs/dbraw/zinc/71/57/04/506715704.db2.gz IUUSREPVVMAPLP-RCCFBDPRSA-N 1 1 374.492 3.084 20 30 FGEDMO C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000583339161 506725214 /nfs/dbraw/zinc/72/52/14/506725214.db2.gz WPCKBDBORXCGRV-OAHLLOKOSA-N 1 1 365.437 3.149 20 30 FGEDMO N#Cc1ccc(NCC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000608879496 506734845 /nfs/dbraw/zinc/73/48/45/506734845.db2.gz TYJKQJZSSLAXQG-UHFFFAOYSA-N 1 1 366.490 3.158 20 30 FGEDMO N#Cc1ccc(OCc2ccc(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)o2)cc1 ZINC000609071472 506769974 /nfs/dbraw/zinc/76/99/74/506769974.db2.gz ZMOVLNVZSXKTPR-KRWDZBQOSA-N 1 1 365.433 3.041 20 30 FGEDMO N#Cc1ccc(OCc2ccc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)o2)cc1 ZINC000609071472 506769980 /nfs/dbraw/zinc/76/99/80/506769980.db2.gz ZMOVLNVZSXKTPR-KRWDZBQOSA-N 1 1 365.433 3.041 20 30 FGEDMO COc1ccccc1C[NH+]1CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000609075686 506770197 /nfs/dbraw/zinc/77/01/97/506770197.db2.gz WEQDEQRGOSQXOY-UHFFFAOYSA-N 1 1 360.461 3.137 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000609108657 506777285 /nfs/dbraw/zinc/77/72/85/506777285.db2.gz JKTYAJHLKCTNIV-WIYYLYMNSA-N 1 1 368.525 3.298 20 30 FGEDMO C[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)[N@H+]1CCc2ccccc2C1 ZINC000609162651 506798906 /nfs/dbraw/zinc/79/89/06/506798906.db2.gz PAKHKDMVYREKFV-KRWDZBQOSA-N 1 1 372.472 3.341 20 30 FGEDMO C[C@H](c1ccc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc1)[NH+]1CCOCC1 ZINC000597162561 506808405 /nfs/dbraw/zinc/80/84/05/506808405.db2.gz KTALZNBCBVTFNZ-CYBMUJFWSA-N 1 1 371.387 3.482 20 30 FGEDMO CCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000597175455 506814179 /nfs/dbraw/zinc/81/41/79/506814179.db2.gz ZHNQSVWOWXSKEM-IRXDYDNUSA-N 1 1 373.497 3.066 20 30 FGEDMO COCCCOc1cccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000597183027 506819725 /nfs/dbraw/zinc/81/97/25/506819725.db2.gz IKHUGTVJPYYFHL-UHFFFAOYSA-N 1 1 371.506 3.357 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000593906377 506826968 /nfs/dbraw/zinc/82/69/68/506826968.db2.gz CNZPNTZCUHSVAS-KUHUBIRLSA-N 1 1 369.852 3.152 20 30 FGEDMO COc1ccc(-c2nc(Cc3noc([C@H]([NH3+])CCCCC#N)n3)co2)cc1 ZINC000593943345 506840184 /nfs/dbraw/zinc/84/01/84/506840184.db2.gz MJTTUYMPDYZZLE-MRXNPFEDSA-N 1 1 367.409 3.408 20 30 FGEDMO C[C@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1 ZINC000593960193 506851322 /nfs/dbraw/zinc/85/13/22/506851322.db2.gz OKTDLKQHPDTCIZ-JKSUJKDBSA-N 1 1 367.518 3.361 20 30 FGEDMO C[C@H](CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000593960193 506851327 /nfs/dbraw/zinc/85/13/27/506851327.db2.gz OKTDLKQHPDTCIZ-JKSUJKDBSA-N 1 1 367.518 3.361 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000593960001 506851449 /nfs/dbraw/zinc/85/14/49/506851449.db2.gz ISYYAXMSAYTAIC-QZTJIDSGSA-N 1 1 361.489 3.300 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000600227713 506859831 /nfs/dbraw/zinc/85/98/31/506859831.db2.gz FECUKNIZXMCROM-NHCUHLMSSA-N 1 1 366.509 3.050 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)cn2)C1 ZINC000609344602 506861918 /nfs/dbraw/zinc/86/19/18/506861918.db2.gz PCLPDXYPZBDPMG-CALCHBBNSA-N 1 1 362.477 3.361 20 30 FGEDMO COc1ccc(COCC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000609388475 506873430 /nfs/dbraw/zinc/87/34/30/506873430.db2.gz LAZYTOLMGCJSMM-UHFFFAOYSA-N 1 1 369.440 3.045 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000594007460 506879037 /nfs/dbraw/zinc/87/90/37/506879037.db2.gz WYWLQYZNEISXFK-HMFYCAOWSA-N 1 1 361.489 3.374 20 30 FGEDMO Cc1ccnc([C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)C2)c1 ZINC000594008044 506879190 /nfs/dbraw/zinc/87/91/90/506879190.db2.gz JHMCGBLAYJZMFK-NXMQOFKUSA-N 1 1 368.525 3.499 20 30 FGEDMO C=CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431549 506880045 /nfs/dbraw/zinc/88/00/45/506880045.db2.gz JHQUZZOOBPCHRC-OAHLLOKOSA-N 1 1 364.409 3.320 20 30 FGEDMO C=CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000609431549 506880052 /nfs/dbraw/zinc/88/00/52/506880052.db2.gz JHQUZZOOBPCHRC-OAHLLOKOSA-N 1 1 364.409 3.320 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](OC3CCC3)C1)CCC2 ZINC000594026154 506891518 /nfs/dbraw/zinc/89/15/18/506891518.db2.gz DSGWFJLNVFAERR-HNNXBMFYSA-N 1 1 373.522 3.471 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000594025869 506892852 /nfs/dbraw/zinc/89/28/52/506892852.db2.gz UYDIVEWULVGJPH-QGZVFWFLSA-N 1 1 353.466 3.310 20 30 FGEDMO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000609538581 506912739 /nfs/dbraw/zinc/91/27/39/506912739.db2.gz MEPMXBKFTXCXKF-QFIPXVFZSA-N 1 1 364.493 3.326 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000609540482 506914005 /nfs/dbraw/zinc/91/40/05/506914005.db2.gz ZRHSKPWZRUJBJP-KRWDZBQOSA-N 1 1 367.449 3.414 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000590704317 506917867 /nfs/dbraw/zinc/91/78/67/506917867.db2.gz QUSBVHXHPYSTPZ-JRGCBEDISA-N 1 1 362.477 3.225 20 30 FGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000590714641 506922782 /nfs/dbraw/zinc/92/27/82/506922782.db2.gz VDZSKGLXHAGTTH-NHCUHLMSSA-N 1 1 358.505 3.271 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000609564628 506922991 /nfs/dbraw/zinc/92/29/91/506922991.db2.gz FOCPHANMTAREKF-HXUWFJFHSA-N 1 1 355.869 3.063 20 30 FGEDMO C=CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000583721436 506934741 /nfs/dbraw/zinc/93/47/41/506934741.db2.gz YRSZAZYDHPTZDL-APWZRJJASA-N 1 1 364.497 3.169 20 30 FGEDMO N#Cc1ccc(Oc2ccc(C(=O)N3CC[NH+](C4CCC4)CC3)cc2)nc1 ZINC000609594514 506936666 /nfs/dbraw/zinc/93/66/66/506936666.db2.gz BSQKFFZVQKOCPY-UHFFFAOYSA-N 1 1 362.433 3.056 20 30 FGEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000590755297 506939271 /nfs/dbraw/zinc/93/92/71/506939271.db2.gz XTSWMUDGQCGMIX-BMFZPTHFSA-N 1 1 356.388 3.155 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C[C@H]1CCOC1 ZINC000609631795 506954344 /nfs/dbraw/zinc/95/43/44/506954344.db2.gz ZVMHOIFCQWFDGY-HZPDHXFCSA-N 1 1 361.511 3.235 20 30 FGEDMO CC[N@@H+](CCC1CCN(C(=O)CC2(C#N)CCOCC2)CC1)CC(C)C ZINC000597471223 506966833 /nfs/dbraw/zinc/96/68/33/506966833.db2.gz NTKNRCCEHVGCHV-UHFFFAOYSA-N 1 1 363.546 3.303 20 30 FGEDMO N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000583797974 506978534 /nfs/dbraw/zinc/97/85/34/506978534.db2.gz PKSNEYWVHHNXPI-VMXMFDLUSA-N 1 1 366.509 3.232 20 30 FGEDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000609757906 506990114 /nfs/dbraw/zinc/99/01/14/506990114.db2.gz BXUYYGLAVLBPQQ-IEBWSBKVSA-N 1 1 355.482 3.193 20 30 FGEDMO N#Cc1ccc(C2(NC(=O)NCC[N@H+]3CCc4ccccc4C3)CCC2)cc1 ZINC000594209898 507011833 /nfs/dbraw/zinc/01/18/33/507011833.db2.gz YTWFFLMTZXCOFT-UHFFFAOYSA-N 1 1 374.488 3.295 20 30 FGEDMO N#Cc1ccc2c(c1)CN(C(=O)N[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000594213303 507012831 /nfs/dbraw/zinc/01/28/31/507012831.db2.gz UVNPMLPSZUJMBE-NRFANRHFSA-N 1 1 360.461 3.248 20 30 FGEDMO N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594215826 507015752 /nfs/dbraw/zinc/01/57/52/507015752.db2.gz RFXNOTRMYREUNG-RBUKOAKNSA-N 1 1 372.538 3.108 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594283782 507062168 /nfs/dbraw/zinc/06/21/68/507062168.db2.gz SYVFBXNCVAYKHI-OALUTQOASA-N 1 1 372.469 3.309 20 30 FGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609984534 507062885 /nfs/dbraw/zinc/06/28/85/507062885.db2.gz LBJWFVLUUBZOBL-LJQANCHMSA-N 1 1 364.449 3.158 20 30 FGEDMO N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000594284476 507063156 /nfs/dbraw/zinc/06/31/56/507063156.db2.gz YWAXACSYEHUKRY-RTWAWAEBSA-N 1 1 364.493 3.374 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000594325531 507080421 /nfs/dbraw/zinc/08/04/21/507080421.db2.gz HUFFAXHIMMTOCD-LKUPVBHCSA-N 1 1 351.494 3.212 20 30 FGEDMO CC(C)[C@H](CNc1cc(Br)c(C#N)cc1F)[NH+]1CCOCC1 ZINC000584018918 507104715 /nfs/dbraw/zinc/10/47/15/507104715.db2.gz DSVNGSJXEGHZAS-INIZCTEOSA-N 1 1 370.266 3.229 20 30 FGEDMO C=CCn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000584021971 507106497 /nfs/dbraw/zinc/10/64/97/507106497.db2.gz RNJRSDRTQCFZBC-FUHWJXTLSA-N 1 1 369.513 3.306 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCCOc2ccc(C#N)cc2OC)C[C@H]1C ZINC000610125785 507106581 /nfs/dbraw/zinc/10/65/81/507106581.db2.gz SJVSXWYGCKJLMW-SJLPKXTDSA-N 1 1 373.497 3.057 20 30 FGEDMO COc1cccc([C@H]2[C@H](Nc3ncc(C#N)cc3F)CC[N@H+]2C2CC2)c1 ZINC000591153840 507134838 /nfs/dbraw/zinc/13/48/38/507134838.db2.gz PVRQUYDAKGAEEF-MOPGFXCFSA-N 1 1 352.413 3.491 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000597925867 507177332 /nfs/dbraw/zinc/17/73/32/507177332.db2.gz XLKYPISTMCKCEC-QGZVFWFLSA-N 1 1 367.449 3.333 20 30 FGEDMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584149592 507179602 /nfs/dbraw/zinc/17/96/02/507179602.db2.gz RYCOUPIPPBXLRC-YOEHRIQHSA-N 1 1 361.405 3.218 20 30 FGEDMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584149592 507179613 /nfs/dbraw/zinc/17/96/13/507179613.db2.gz RYCOUPIPPBXLRC-YOEHRIQHSA-N 1 1 361.405 3.218 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[N@H+]1C ZINC000610321433 507193616 /nfs/dbraw/zinc/19/36/16/507193616.db2.gz UJSNHQRSGCZBSG-HOCLYGCPSA-N 1 1 365.437 3.350 20 30 FGEDMO COC(=O)c1ccc(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C#N)n1 ZINC000594593006 507200992 /nfs/dbraw/zinc/20/09/92/507200992.db2.gz MCFLDCIMEGKGRW-MRXNPFEDSA-N 1 1 367.474 3.497 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)noc1C ZINC000610342474 507202741 /nfs/dbraw/zinc/20/27/41/507202741.db2.gz XQNBTQBGEUZMDW-UKRRQHHQSA-N 1 1 370.453 3.286 20 30 FGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610476977 507254744 /nfs/dbraw/zinc/25/47/44/507254744.db2.gz YBZDZTAZDKNOAX-QIJUGHKUSA-N 1 1 364.489 3.445 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000598217796 507322168 /nfs/dbraw/zinc/32/21/68/507322168.db2.gz BTUZVHGQHKTLFN-WIYYLYMNSA-N 1 1 366.509 3.050 20 30 FGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000584408533 507329738 /nfs/dbraw/zinc/32/97/38/507329738.db2.gz HBCVONRYRJNPCZ-RDJZCZTQSA-N 1 1 371.481 3.187 20 30 FGEDMO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610721828 507364891 /nfs/dbraw/zinc/36/48/91/507364891.db2.gz LQWRZJXHERTWPX-WMLDXEAASA-N 1 1 372.415 3.390 20 30 FGEDMO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610721828 507364902 /nfs/dbraw/zinc/36/49/02/507364902.db2.gz LQWRZJXHERTWPX-WMLDXEAASA-N 1 1 372.415 3.390 20 30 FGEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000595092123 507388437 /nfs/dbraw/zinc/38/84/37/507388437.db2.gz XICPVKRXUYAMAF-MRXNPFEDSA-N 1 1 361.511 3.351 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000584518631 507389364 /nfs/dbraw/zinc/38/93/64/507389364.db2.gz UMIOJJMRKATKEU-IRLDBZIGSA-N 1 1 374.488 3.359 20 30 FGEDMO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000591850295 507392148 /nfs/dbraw/zinc/39/21/48/507392148.db2.gz OOGKUKOLPXIEMH-XIYVOTBMSA-N 1 1 366.509 3.279 20 30 FGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](O)COCc1ccccc1 ZINC000614167028 507393551 /nfs/dbraw/zinc/39/35/51/507393551.db2.gz ZVDCLNDLCGSOQW-OAQYLSRUSA-N 1 1 352.478 3.497 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1OC ZINC000584547553 507404893 /nfs/dbraw/zinc/40/48/93/507404893.db2.gz HHBSCUKKFODJRU-XYJFISCASA-N 1 1 358.482 3.062 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222607 507412088 /nfs/dbraw/zinc/41/20/88/507412088.db2.gz HYFSDOIAAUPVTO-QGZVFWFLSA-N 1 1 373.472 3.353 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222607 507412091 /nfs/dbraw/zinc/41/20/91/507412091.db2.gz HYFSDOIAAUPVTO-QGZVFWFLSA-N 1 1 373.472 3.353 20 30 FGEDMO Cc1[nH]c2nc[nH+]c(N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2c1C ZINC000591928713 507414448 /nfs/dbraw/zinc/41/44/48/507414448.db2.gz BLHKVFGHELZTFO-MRXNPFEDSA-N 1 1 360.421 3.054 20 30 FGEDMO C[C@@H]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000610908333 507439643 /nfs/dbraw/zinc/43/96/43/507439643.db2.gz HGOIHPATJHEYDX-OAHLLOKOSA-N 1 1 368.868 3.343 20 30 FGEDMO N#CCn1c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc2ccccc21 ZINC000610951106 507453608 /nfs/dbraw/zinc/45/36/08/507453608.db2.gz FJWJZDLUKSMKNI-XLIONFOSSA-N 1 1 362.477 3.254 20 30 FGEDMO C=C(C)C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(=O)OC ZINC000601788247 507456831 /nfs/dbraw/zinc/45/68/31/507456831.db2.gz SUNGZNOXAMDDKI-AEFFLSMTSA-N 1 1 373.497 3.117 20 30 FGEDMO C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)CC(F)F ZINC000592030440 507458694 /nfs/dbraw/zinc/45/86/94/507458694.db2.gz UJOJWWQAZTXIFC-OAHLLOKOSA-N 1 1 364.440 3.067 20 30 FGEDMO CC[N@H+]1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1C ZINC000611091889 507513134 /nfs/dbraw/zinc/51/31/34/507513134.db2.gz BPONWOGGTRMTEB-HZPDHXFCSA-N 1 1 360.527 3.045 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCC[C@H](CC#N)C2)cc1F ZINC000595469623 507514152 /nfs/dbraw/zinc/51/41/52/507514152.db2.gz ICYOQVHASDQCSJ-OAHLLOKOSA-N 1 1 355.417 3.155 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000598609636 507518019 /nfs/dbraw/zinc/51/80/19/507518019.db2.gz BXHSBHFNGODIET-XEZPLFJOSA-N 1 1 356.388 3.114 20 30 FGEDMO Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)C[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598612451 507518073 /nfs/dbraw/zinc/51/80/73/507518073.db2.gz VGHSQSYQKAXBBC-SFHVURJKSA-N 1 1 360.889 3.376 20 30 FGEDMO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598614693 507519342 /nfs/dbraw/zinc/51/93/42/507519342.db2.gz RNDITLOJZPPEJA-WMZOPIPTSA-N 1 1 352.482 3.046 20 30 FGEDMO C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCOCC2 ZINC000592182543 507528054 /nfs/dbraw/zinc/52/80/54/507528054.db2.gz CWFDCXHJEYPQRD-CQSZACIVSA-N 1 1 361.873 3.431 20 30 FGEDMO C[C@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCCC2)O1 ZINC000592196696 507534830 /nfs/dbraw/zinc/53/48/30/507534830.db2.gz XDCIRFYFMSTUNL-LPHOPBHVSA-N 1 1 353.466 3.087 20 30 FGEDMO C[C@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCCC2)O1 ZINC000592196696 507534837 /nfs/dbraw/zinc/53/48/37/507534837.db2.gz XDCIRFYFMSTUNL-LPHOPBHVSA-N 1 1 353.466 3.087 20 30 FGEDMO CC(C)[N@@H+](C)C[C@@H](O)CN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000595551098 507557895 /nfs/dbraw/zinc/55/78/95/507557895.db2.gz UUABQCJSQJVSKN-RHSMWYFYSA-N 1 1 357.420 3.121 20 30 FGEDMO C[C@]1(C#N)CCN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000595578803 507571765 /nfs/dbraw/zinc/57/17/65/507571765.db2.gz JJRHCXWTFUOVGT-ITTUMRLJSA-N 1 1 366.509 3.232 20 30 FGEDMO C[C@H](NC(=O)N1CCC[C@@H](CC#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000595579905 507572176 /nfs/dbraw/zinc/57/21/76/507572176.db2.gz DEFNAOQNKNOBDK-IHPCNDPISA-N 1 1 354.498 3.232 20 30 FGEDMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595620214 507595653 /nfs/dbraw/zinc/59/56/53/507595653.db2.gz KMGQCIYYYINHKO-PXNSSMCTSA-N 1 1 355.482 3.374 20 30 FGEDMO CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595620214 507595661 /nfs/dbraw/zinc/59/56/61/507595661.db2.gz KMGQCIYYYINHKO-PXNSSMCTSA-N 1 1 355.482 3.374 20 30 FGEDMO COc1cc(NC(=O)CC[N@H+]2CCC[C@@H](CC#N)C2)c(OC)cc1Cl ZINC000595619937 507596234 /nfs/dbraw/zinc/59/62/34/507596234.db2.gz HIISSUHZEKIHLL-ZDUSSCGKSA-N 1 1 365.861 3.311 20 30 FGEDMO Cn1cc(C[NH2+]CCc2ccc3cn[nH]c3c2)c(-c2ccc(C#N)cc2)n1 ZINC000585743423 507611494 /nfs/dbraw/zinc/61/14/94/507611494.db2.gz LLWJUZMCTJRACQ-UHFFFAOYSA-N 1 1 356.433 3.167 20 30 FGEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1OCC(=O)NC ZINC000611380064 507651118 /nfs/dbraw/zinc/65/11/18/507651118.db2.gz RSTKSPLWOWKEJW-GOSISDBHSA-N 1 1 355.413 3.063 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC3=CCCOC3)sc2C1 ZINC000595753113 507668674 /nfs/dbraw/zinc/66/86/74/507668674.db2.gz PNXABWHGCLBHLM-AWEZNQCLSA-N 1 1 373.522 3.352 20 30 FGEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3nc4c(s3)CCC4)CC2)c1 ZINC000611411860 507670470 /nfs/dbraw/zinc/67/04/70/507670470.db2.gz WSOVCLASQRWNIM-UHFFFAOYSA-N 1 1 366.490 3.354 20 30 FGEDMO Cc1ccc(OC2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)cc1C ZINC000592497870 507679432 /nfs/dbraw/zinc/67/94/32/507679432.db2.gz DSYGXGGNBTZFEF-UHFFFAOYSA-N 1 1 361.449 3.261 20 30 FGEDMO N#CCCN(C(=O)C[NH+]1CCC([C@H]2CCCCO2)CC1)c1ccccc1 ZINC000595786220 507683848 /nfs/dbraw/zinc/68/38/48/507683848.db2.gz GVGAGAANPSKKDQ-HXUWFJFHSA-N 1 1 355.482 3.214 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)o2)c1 ZINC000595788300 507685027 /nfs/dbraw/zinc/68/50/27/507685027.db2.gz IOPTWCHNBMFLCC-QZTJIDSGSA-N 1 1 352.438 3.389 20 30 FGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000592523437 507692693 /nfs/dbraw/zinc/69/26/93/507692693.db2.gz LPSSZJNVYAQVBV-HXUWFJFHSA-N 1 1 369.852 3.443 20 30 FGEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592522411 507692984 /nfs/dbraw/zinc/69/29/84/507692984.db2.gz AZKPIWBJBXIDIM-NRFANRHFSA-N 1 1 362.433 3.291 20 30 FGEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@](O)(CC#N)C2)o1 ZINC000592522411 507692989 /nfs/dbraw/zinc/69/29/89/507692989.db2.gz AZKPIWBJBXIDIM-NRFANRHFSA-N 1 1 362.433 3.291 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595826338 507704049 /nfs/dbraw/zinc/70/40/49/507704049.db2.gz NGBWRZDGPAZJJB-KRWDZBQOSA-N 1 1 368.506 3.386 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595826338 507704053 /nfs/dbraw/zinc/70/40/53/507704053.db2.gz NGBWRZDGPAZJJB-KRWDZBQOSA-N 1 1 368.506 3.386 20 30 FGEDMO C[C@@]1(C#N)CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000595839842 507709713 /nfs/dbraw/zinc/70/97/13/507709713.db2.gz MIUQUYXYNPVIRD-HNNXBMFYSA-N 1 1 354.223 3.152 20 30 FGEDMO C[C@@]1(C#N)CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000595839842 507709716 /nfs/dbraw/zinc/70/97/16/507709716.db2.gz MIUQUYXYNPVIRD-HNNXBMFYSA-N 1 1 354.223 3.152 20 30 FGEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1NCC[NH+]1Cc2ccccc2C1 ZINC000587543308 507711891 /nfs/dbraw/zinc/71/18/91/507711891.db2.gz MNBOAZQIKPWZGY-UHFFFAOYSA-N 1 1 368.362 3.373 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](CCC1CC1)CC1CC1 ZINC000595871511 507719848 /nfs/dbraw/zinc/71/98/48/507719848.db2.gz QALXXOPSUFMRID-UHFFFAOYSA-N 1 1 363.465 3.195 20 30 FGEDMO CO[C@@H](C)c1nc(CN2CCC[N@@H+](C[C@H](C)CCC#N)CC2)cs1 ZINC000602487116 507724839 /nfs/dbraw/zinc/72/48/39/507724839.db2.gz USHSSDCCRSZAMY-CVEARBPZSA-N 1 1 350.532 3.298 20 30 FGEDMO CCn1cnnc1CNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000328602368 523580534 /nfs/dbraw/zinc/58/05/34/523580534.db2.gz BKVYHKDMFYJNIH-YLJYHZDGSA-N 1 1 353.470 3.057 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+](C)C2CCN(OC)CC2)cc1OC ZINC000628305777 568252032 /nfs/dbraw/zinc/25/20/32/568252032.db2.gz USNFQMYMHQEUBP-UHFFFAOYSA-N 1 1 354.878 3.371 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCCOc2ccccc21 ZINC000330344661 568280613 /nfs/dbraw/zinc/28/06/13/568280613.db2.gz DFCUJRPQFAKORF-MRXNPFEDSA-N 1 1 365.437 3.441 20 30 FGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000735409235 598865995 /nfs/dbraw/zinc/86/59/95/598865995.db2.gz VZXUDXBTVKHEAM-ZDUSSCGKSA-N 1 1 360.462 3.082 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736785599 600570955 /nfs/dbraw/zinc/57/09/55/600570955.db2.gz SZRUOWMNPNKOKH-IMFGXOCKSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736785599 600570956 /nfs/dbraw/zinc/57/09/56/600570956.db2.gz SZRUOWMNPNKOKH-IMFGXOCKSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736785599 600570957 /nfs/dbraw/zinc/57/09/57/600570957.db2.gz SZRUOWMNPNKOKH-IMFGXOCKSA-N 1 1 355.482 3.270 20 30 FGEDMO N#Cc1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000833073435 601318241 /nfs/dbraw/zinc/31/82/41/601318241.db2.gz BMMPQEMUVAVODH-UYAOXDASSA-N 1 1 355.482 3.272 20 30 FGEDMO N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000833073435 601318242 /nfs/dbraw/zinc/31/82/42/601318242.db2.gz BMMPQEMUVAVODH-UYAOXDASSA-N 1 1 355.482 3.272 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc2nsnc21 ZINC000819745779 607067861 /nfs/dbraw/zinc/06/78/61/607067861.db2.gz RNJFSJTXECQJDH-UHFFFAOYSA-N 1 1 363.450 3.060 20 30 FGEDMO NC(=[NH+]OCc1nc(-c2c(F)cccc2F)cs1)C1CCOCC1 ZINC000128098827 700770891 /nfs/dbraw/zinc/77/08/91/700770891.db2.gz QIANHVNZSGAGJZ-UHFFFAOYSA-N 1 1 353.394 3.304 20 30 FGEDMO C#CC[N@H+](Cc1cnc(N2CCOCC2)s1)[C@H]1CCc2ccccc21 ZINC000179204389 705692639 /nfs/dbraw/zinc/69/26/39/705692639.db2.gz CSLRZDOQFSTGDE-IBGZPJMESA-N 1 1 353.491 3.102 20 30 FGEDMO C#CC[N@@H+](Cc1cnc(N2CCOCC2)s1)[C@H]1CCc2ccccc21 ZINC000179204389 705692643 /nfs/dbraw/zinc/69/26/43/705692643.db2.gz CSLRZDOQFSTGDE-IBGZPJMESA-N 1 1 353.491 3.102 20 30 FGEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181730402 705807073 /nfs/dbraw/zinc/80/70/73/705807073.db2.gz DXWAJUFFRUTFPA-UHFFFAOYSA-N 1 1 350.394 3.324 20 30 FGEDMO NC(=[NH+]OCC(=O)Nc1ccc(Br)cc1F)C1CCCC1 ZINC000194253225 713516066 /nfs/dbraw/zinc/51/60/66/713516066.db2.gz WENSUPMRSHGAOK-UHFFFAOYSA-N 1 1 358.211 3.006 20 30 FGEDMO CN(c1ncc(Br)cc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309740176 713796628 /nfs/dbraw/zinc/79/66/28/713796628.db2.gz VORQSWJGMKNGFH-QGZVFWFLSA-N 1 1 371.282 3.426 20 30 FGEDMO N#CCCNC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000426450924 714018885 /nfs/dbraw/zinc/01/88/85/714018885.db2.gz OQKRHZXLAOTHFZ-QGZVFWFLSA-N 1 1 354.479 3.060 20 30 FGEDMO N#CCCNC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000426450924 714018888 /nfs/dbraw/zinc/01/88/88/714018888.db2.gz OQKRHZXLAOTHFZ-QGZVFWFLSA-N 1 1 354.479 3.060 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000525804917 714379068 /nfs/dbraw/zinc/37/90/68/714379068.db2.gz WNKVWOWZXKWVLR-ZDUSSCGKSA-N 1 1 356.388 3.342 20 30 FGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000618806780 714780094 /nfs/dbraw/zinc/78/00/94/714780094.db2.gz SHJMQSLIWCBXHN-MSOLQXFVSA-N 1 1 356.422 3.193 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1Cl ZINC000619764696 714868752 /nfs/dbraw/zinc/86/87/52/714868752.db2.gz FDXPZELCRFWECW-LJQANCHMSA-N 1 1 353.853 3.492 20 30 FGEDMO C[C@H]1CCCC[C@H]1NC(=S)NN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000779759130 724425287 /nfs/dbraw/zinc/42/52/87/724425287.db2.gz HWUYSNBPFVHTBQ-GXTWGEPZSA-N 1 1 364.481 3.433 20 30 FGEDMO Cc1nn(-c2ccc(Br)cc2)cc1C=NNc1cc[nH+]cc1 ZINC000779809491 724428165 /nfs/dbraw/zinc/42/81/65/724428165.db2.gz KAGMJUMJQWGPRI-UHFFFAOYSA-N 1 1 356.227 3.206 20 30 FGEDMO COc1cc(C=NNc2cc[nH+]cc2)ccc1OC(=O)c1cccs1 ZINC000779809195 724428346 /nfs/dbraw/zinc/42/83/46/724428346.db2.gz HAUREQFGXPAIGJ-UHFFFAOYSA-N 1 1 353.403 3.239 20 30 FGEDMO CCOCCOc1ccc(Br)cc1C=NNc1cc[nH+]cc1 ZINC000779810711 724428493 /nfs/dbraw/zinc/42/84/93/724428493.db2.gz IITRWEBTKREPOJ-UHFFFAOYSA-N 1 1 364.243 3.127 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)C[C@H]2CCN(C(C)=O)C2)cc1OC ZINC000628191927 716123020 /nfs/dbraw/zinc/12/30/20/716123020.db2.gz ZFDMJAFIBUUWQS-OAHLLOKOSA-N 1 1 366.889 3.214 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](OCCOC)C2)cc1OC ZINC000628244152 716129502 /nfs/dbraw/zinc/12/95/02/716129502.db2.gz UVWRETYPTNQSLN-OAHLLOKOSA-N 1 1 355.862 3.151 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](OCCOC)C2)cc1OC ZINC000628244152 716129505 /nfs/dbraw/zinc/12/95/05/716129505.db2.gz UVWRETYPTNQSLN-OAHLLOKOSA-N 1 1 355.862 3.151 20 30 FGEDMO C=CCOc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1OC ZINC000631209087 716585917 /nfs/dbraw/zinc/58/59/17/716585917.db2.gz JJKZETAZYACYGI-UHFFFAOYSA-N 1 1 366.259 3.046 20 30 FGEDMO C[C@H](CNc1nc(Cl)c(C#N)s1)[NH+]1CCN(c2ccccc2)CC1 ZINC000804350121 724506811 /nfs/dbraw/zinc/50/68/11/724506811.db2.gz UKUROBMJOBLGHT-CYBMUJFWSA-N 1 1 361.902 3.291 20 30 FGEDMO C[C@@H](C[NH+](C)C)/N=C\c1cc(Br)cc(Br)c1O ZINC000804597951 724532600 /nfs/dbraw/zinc/53/26/00/724532600.db2.gz HXNISMNPZVXZPU-ZAAMMXGNSA-N 1 1 364.081 3.286 20 30 FGEDMO C#CCNC(=S)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000782211156 724639207 /nfs/dbraw/zinc/63/92/07/724639207.db2.gz XUTWHJXTRYNHTD-CVEARBPZSA-N 1 1 367.921 3.490 20 30 FGEDMO C#CCNC(=S)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000782211156 724639209 /nfs/dbraw/zinc/63/92/09/724639209.db2.gz XUTWHJXTRYNHTD-CVEARBPZSA-N 1 1 367.921 3.490 20 30 FGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C)c1C#N)C2 ZINC001164810365 720075312 /nfs/dbraw/zinc/07/53/12/720075312.db2.gz LGRRCXSGJUKQMK-JXFKEZNVSA-N 1 1 374.916 3.100 20 30 FGEDMO N#Cc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc2ccccc12 ZINC001164732496 720436766 /nfs/dbraw/zinc/43/67/66/720436766.db2.gz NUSHVOYBCVYNNK-LEWJYISDSA-N 1 1 355.445 3.355 20 30 FGEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001164773133 721290493 /nfs/dbraw/zinc/29/04/93/721290493.db2.gz NNSZNWZKMIGXCI-UHFFFAOYSA-N 1 1 352.816 3.074 20 30 FGEDMO C=CC[NH+]1CCN(c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC1 ZINC001165034441 721872682 /nfs/dbraw/zinc/87/26/82/721872682.db2.gz KGXAXWMKXJDVPZ-UHFFFAOYSA-N 1 1 359.817 3.013 20 30 FGEDMO C=CCOc1ccc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000678258152 721947448 /nfs/dbraw/zinc/94/74/48/721947448.db2.gz VTQWECWISYAHDR-GOSISDBHSA-N 1 1 363.933 3.117 20 30 FGEDMO N#Cc1nc(Cl)cnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993195 722195089 /nfs/dbraw/zinc/19/50/89/722195089.db2.gz CJJCVAOFXLXGGK-LJQANCHMSA-N 1 1 371.847 3.386 20 30 FGEDMO CC(C)(C)c1csc(C2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)n1 ZINC000784338135 724844431 /nfs/dbraw/zinc/84/44/31/724844431.db2.gz UKEQQFHFZGZYQE-UHFFFAOYSA-N 1 1 360.527 3.182 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000730544088 722469038 /nfs/dbraw/zinc/46/90/38/722469038.db2.gz PUWCRSRHPUAOPW-CQSZACIVSA-N 1 1 353.293 3.340 20 30 FGEDMO C#CCSCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000740032219 722534820 /nfs/dbraw/zinc/53/48/20/722534820.db2.gz GPRATGQVCMVBRH-KRWDZBQOSA-N 1 1 359.539 3.084 20 30 FGEDMO C#CCSCCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000740029041 722534847 /nfs/dbraw/zinc/53/48/47/722534847.db2.gz ARYOCHKRSUQDSP-QGZVFWFLSA-N 1 1 359.539 3.227 20 30 FGEDMO C[S@](=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000754166094 722930426 /nfs/dbraw/zinc/93/04/26/722930426.db2.gz DORYKZXSJYTKCN-XDHUDOTRSA-N 1 1 362.882 3.452 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(Cl)ccc1Br ZINC000756542614 722966491 /nfs/dbraw/zinc/96/64/91/722966491.db2.gz NPCNCRCQHIOVAK-LBPRGKRZSA-N 1 1 356.647 3.357 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(Cl)ccc1Br ZINC000756542614 722966492 /nfs/dbraw/zinc/96/64/92/722966492.db2.gz NPCNCRCQHIOVAK-LBPRGKRZSA-N 1 1 356.647 3.357 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000756581135 722967175 /nfs/dbraw/zinc/96/71/75/722967175.db2.gz VHXXUNNRORRLGE-HNNXBMFYSA-N 1 1 369.690 3.159 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1cc(Br)ccc1Cl ZINC000756581135 722967176 /nfs/dbraw/zinc/96/71/76/722967176.db2.gz VHXXUNNRORRLGE-HNNXBMFYSA-N 1 1 369.690 3.159 20 30 FGEDMO Cc1nc2sccc2c(=O)n1N=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000757568165 722977012 /nfs/dbraw/zinc/97/70/12/722977012.db2.gz IVFGLCIYXXSWAG-CYBMUJFWSA-N 1 1 352.463 3.265 20 30 FGEDMO Cc1nc2sccc2c(=O)n1N=C1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000757568165 722977013 /nfs/dbraw/zinc/97/70/13/722977013.db2.gz IVFGLCIYXXSWAG-CYBMUJFWSA-N 1 1 352.463 3.265 20 30 FGEDMO C#CCNC(=S)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000758233692 722986701 /nfs/dbraw/zinc/98/67/01/722986701.db2.gz KWZRDAPNQZBHIP-ZBFHGGJFSA-N 1 1 369.456 3.186 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)CCCn2ccc3cc(Cl)ccc32)CC1 ZINC000760430000 723055645 /nfs/dbraw/zinc/05/56/45/723055645.db2.gz RVCPTRJNXGHANK-UHFFFAOYSA-N 1 1 357.885 3.242 20 30 FGEDMO COCCCO[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000795041312 723558395 /nfs/dbraw/zinc/55/83/95/723558395.db2.gz CDUZZCRUOZRBPO-UHFFFAOYSA-N 1 1 361.467 3.034 20 30 FGEDMO N#CCSCCC[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000796458850 723638610 /nfs/dbraw/zinc/63/86/10/723638610.db2.gz NVRUMZDTISDUQE-GOSISDBHSA-N 1 1 361.511 3.272 20 30 FGEDMO N#CCCCn1cc(C(=O)OCC[NH+]2CCSCC2)c2ccccc21 ZINC000769543256 723689358 /nfs/dbraw/zinc/68/93/58/723689358.db2.gz RGHMDOMYEHAAHQ-UHFFFAOYSA-N 1 1 357.479 3.151 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)CCCc2cccc(C(F)(F)F)c2)CC1 ZINC000771134364 723728633 /nfs/dbraw/zinc/72/86/33/723728633.db2.gz BUIGVAKMPJYHDW-UHFFFAOYSA-N 1 1 352.400 3.196 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000772859951 723769990 /nfs/dbraw/zinc/76/99/90/723769990.db2.gz VNICZNUGVVDLEA-INIZCTEOSA-N 1 1 371.531 3.162 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000772859951 723769992 /nfs/dbraw/zinc/76/99/92/723769992.db2.gz VNICZNUGVVDLEA-INIZCTEOSA-N 1 1 371.531 3.162 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)C1=O ZINC000799128235 723990013 /nfs/dbraw/zinc/99/00/13/723990013.db2.gz NOZZJWILWAXRPP-MSOLQXFVSA-N 1 1 356.491 3.071 20 30 FGEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1=S ZINC000799154166 723992447 /nfs/dbraw/zinc/99/24/47/723992447.db2.gz CEBRRGFUNWPTQA-LLLHUVSDSA-N 1 1 350.532 3.128 20 30 FGEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1=S ZINC000799154166 723992448 /nfs/dbraw/zinc/99/24/48/723992448.db2.gz CEBRRGFUNWPTQA-LLLHUVSDSA-N 1 1 350.532 3.128 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000801921477 724345777 /nfs/dbraw/zinc/34/57/77/724345777.db2.gz DWLVXARYIIPYGK-SWLSCSKDSA-N 1 1 370.234 3.357 20 30 FGEDMO CC[C@@H](C[N@H+](C)CC(=O)NCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000787341101 725025642 /nfs/dbraw/zinc/02/56/42/725025642.db2.gz IMIQHPOJMSTONE-LBPRGKRZSA-N 1 1 358.269 3.112 20 30 FGEDMO CC[C@@H](C[N@@H+](C)CC(=O)NCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000787341101 725025643 /nfs/dbraw/zinc/02/56/43/725025643.db2.gz IMIQHPOJMSTONE-LBPRGKRZSA-N 1 1 358.269 3.112 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1F ZINC000805183592 725055217 /nfs/dbraw/zinc/05/52/17/725055217.db2.gz DNWUCJXZXNBZCA-GUYCJALGSA-N 1 1 351.853 3.183 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)OCCCSCC#N)cc2)C[C@H](C)O1 ZINC000805404137 725069330 /nfs/dbraw/zinc/06/93/30/725069330.db2.gz VUKIPXKHLDFLSF-IYBDPMFKSA-N 1 1 362.495 3.099 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)OCCCSCC#N)cc2)C[C@H](C)O1 ZINC000805404137 725069333 /nfs/dbraw/zinc/06/93/33/725069333.db2.gz VUKIPXKHLDFLSF-IYBDPMFKSA-N 1 1 362.495 3.099 20 30 FGEDMO C#CCn1ccc(CN(CCOC)c2cc[nH+]c3ccc(Cl)cc32)n1 ZINC000788559349 725072772 /nfs/dbraw/zinc/07/27/72/725072772.db2.gz RFIANWIOZKYOPA-UHFFFAOYSA-N 1 1 354.841 3.371 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1F ZINC000805778491 725094623 /nfs/dbraw/zinc/09/46/23/725094623.db2.gz CLXXPYKKSHYRLW-GUYCJALGSA-N 1 1 351.853 3.185 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000789367823 725124328 /nfs/dbraw/zinc/12/43/28/725124328.db2.gz RMNQLLMNCULAAN-GFCCVEGCSA-N 1 1 363.870 3.056 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)O[C@@H](C#N)Cc2ccc(F)cc2F)C1 ZINC000810668287 725321592 /nfs/dbraw/zinc/32/15/92/725321592.db2.gz XAYBQUPECBGRDB-RDTXWAMCSA-N 1 1 354.372 3.155 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1CCOCCC#N ZINC000815067378 727030569 /nfs/dbraw/zinc/03/05/69/727030569.db2.gz XSADWFNJHITSFW-SJORKVTESA-N 1 1 351.491 3.171 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCC[N@H+]2CCOCCC#N)C1 ZINC000815202180 727051794 /nfs/dbraw/zinc/05/17/94/727051794.db2.gz WFVBWFARYHBCKP-IAGOWNOFSA-N 1 1 351.491 3.028 20 30 FGEDMO C=CCC(F)(F)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000815988275 727113902 /nfs/dbraw/zinc/11/39/02/727113902.db2.gz FKWIUYOAXLZXMX-IRXDYDNUSA-N 1 1 350.409 3.301 20 30 FGEDMO C=CCC(F)(F)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000815988275 727113908 /nfs/dbraw/zinc/11/39/08/727113908.db2.gz FKWIUYOAXLZXMX-IRXDYDNUSA-N 1 1 350.409 3.301 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[NH+](CC)CC2)s1 ZINC000818997200 727336065 /nfs/dbraw/zinc/33/60/65/727336065.db2.gz UTVUDQWCKNAKOG-UHFFFAOYSA-N 1 1 359.948 3.003 20 30 FGEDMO C#C[C@H](NC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1F ZINC000820755922 729026881 /nfs/dbraw/zinc/02/68/81/729026881.db2.gz UHHGRHICKZOGJU-PBHICJAKSA-N 1 1 351.853 3.279 20 30 FGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cc(Cl)ccc2O[C@H]2CCOC2)no1 ZINC000822979924 729239892 /nfs/dbraw/zinc/23/98/92/729239892.db2.gz AKUXBWIPDWIZLT-GXTWGEPZSA-N 1 1 362.817 3.251 20 30 FGEDMO N#Cc1ccc(F)c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000824754527 729357756 /nfs/dbraw/zinc/35/77/56/729357756.db2.gz CQOGTOATKMRNAP-OAHLLOKOSA-N 1 1 357.454 3.401 20 30 FGEDMO C#C[C@H]([NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CCOCC1 ZINC000827566518 729431916 /nfs/dbraw/zinc/43/19/16/729431916.db2.gz WGGWZCLZQANWCB-HNNXBMFYSA-N 1 1 365.264 3.092 20 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N#Cc1cnc(Cl)c(CNCC2([NH+]3CCSCC3)CCCC2)c1 ZINC000876929428 736164051 /nfs/dbraw/zinc/16/40/51/736164051.db2.gz WSZWFJOPDBGFGG-UHFFFAOYSA-N 1 1 350.919 3.058 20 30 FGEDMO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(N2CCOC2=O)c1 ZINC000876972940 736169642 /nfs/dbraw/zinc/16/96/42/736169642.db2.gz SRSZCCRSQJMVRQ-GFCCVEGCSA-N 1 1 356.813 3.414 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc4c(ccnc4Cl)o3)C2)nc1 ZINC000877546204 736681928 /nfs/dbraw/zinc/68/19/28/736681928.db2.gz PILNXXPAYUVPHZ-ZDUSSCGKSA-N 1 1 354.797 3.401 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc4c(ccnc4Cl)o3)C2)nc1 ZINC000877546204 736681934 /nfs/dbraw/zinc/68/19/34/736681934.db2.gz PILNXXPAYUVPHZ-ZDUSSCGKSA-N 1 1 354.797 3.401 20 30 FGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cc(Br)no1 ZINC000878005317 736755402 /nfs/dbraw/zinc/75/54/02/736755402.db2.gz NDZHHRPXYRSIET-AWEZNQCLSA-N 1 1 364.243 3.253 20 30 FGEDMO N#Cc1ccc(C[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)c(C(F)(F)F)c1 ZINC000879489438 736996283 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FGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891839802 739942278 /nfs/dbraw/zinc/94/22/78/739942278.db2.gz KTSQOVUCKNVJDK-IAGOWNOFSA-N 1 1 350.390 3.217 20 30 FGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891839802 739942282 /nfs/dbraw/zinc/94/22/82/739942282.db2.gz KTSQOVUCKNVJDK-IAGOWNOFSA-N 1 1 350.390 3.217 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](Nc2cc(C#N)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000892568352 740017892 /nfs/dbraw/zinc/01/78/92/740017892.db2.gz YVBXPNWYINRJIT-OCCSQVGLSA-N 1 1 352.460 3.077 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000892568353 740018144 /nfs/dbraw/zinc/01/81/44/740018144.db2.gz YVBXPNWYINRJIT-TZMCWYRMSA-N 1 1 352.460 3.077 20 30 FGEDMO C[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccc(C#N)cc1 ZINC000894166786 742247427 /nfs/dbraw/zinc/24/74/27/742247427.db2.gz ZWKLWAAGQYFYDI-GFCCVEGCSA-N 1 1 362.886 3.356 20 30 FGEDMO C[C@@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1cccc(C#N)c1 ZINC000894308879 742265892 /nfs/dbraw/zinc/26/58/92/742265892.db2.gz WDMXENWOSQXTBK-GFCCVEGCSA-N 1 1 362.886 3.356 20 30 FGEDMO N#Cc1cnc2c(Cl)cccc2c1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896521770 742561445 /nfs/dbraw/zinc/56/14/45/742561445.db2.gz FPNIMSALMQEQID-HNNXBMFYSA-N 1 1 356.857 3.425 20 30 FGEDMO Cc1n[nH]cc1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897056842 742637434 /nfs/dbraw/zinc/63/74/34/742637434.db2.gz XYOANDSPFPOHLV-DTORHVGOSA-N 1 1 363.252 3.321 20 30 FGEDMO Cc1n[nH]cc1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000897056842 742637436 /nfs/dbraw/zinc/63/74/36/742637436.db2.gz XYOANDSPFPOHLV-DTORHVGOSA-N 1 1 363.252 3.321 20 30 FGEDMO C=CC(C)(C)[NH2+]Cc1nc(Br)c(Br)n1CC ZINC000898460658 742796403 /nfs/dbraw/zinc/79/64/03/742796403.db2.gz QVDBJQKBEUUGAR-UHFFFAOYSA-N 1 1 351.086 3.482 20 30 FGEDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)c1cc(C#N)ccn1 ZINC000902979905 743795427 /nfs/dbraw/zinc/79/54/27/743795427.db2.gz VNTYRPCPTSZIAC-CQSZACIVSA-N 1 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C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1 ZINC000949398908 762385872 /nfs/dbraw/zinc/38/58/72/762385872.db2.gz QSTWJLGPPRBDSB-ZWKOTPCHSA-N 1 1 360.523 3.121 20 30 FGEDMO C=C(Br)COC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000919263842 758412499 /nfs/dbraw/zinc/41/24/99/758412499.db2.gz DQUSWBNSVYAYSD-KBPBESRZSA-N 1 1 368.271 3.361 20 30 FGEDMO CCc1[nH]nc(Cl)c1CNC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000922219228 758872641 /nfs/dbraw/zinc/87/26/41/758872641.db2.gz IYZZLXFWECEPLZ-UHFFFAOYSA-N 1 1 357.889 3.251 20 30 FGEDMO Cc1cn2c(nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)cc2=O)s1 ZINC000929367414 760372290 /nfs/dbraw/zinc/37/22/90/760372290.db2.gz LJDPWGBWTMLFIM-UHFFFAOYSA-N 1 1 350.447 3.101 20 30 FGEDMO Cc1cn2c(nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cc2=O)s1 ZINC000929367414 760372300 /nfs/dbraw/zinc/37/23/00/760372300.db2.gz LJDPWGBWTMLFIM-UHFFFAOYSA-N 1 1 350.447 3.101 20 30 FGEDMO CC(=O)N1CCC([N@H+](Cc2cncs2)CC2CCC(C#N)CC2)CC1 ZINC000930560985 760643515 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C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H]2CO)cc1OCC ZINC000092470789 494635718 /nfs/dbraw/zinc/63/57/18/494635718.db2.gz KEHIJAQMASXJIF-CQSZACIVSA-N 1 1 370.287 3.369 20 30 FGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000131545348 494653754 /nfs/dbraw/zinc/65/37/54/494653754.db2.gz XRBWFNKLEPMISP-SFTDATJTSA-N 1 1 352.478 3.445 20 30 FGEDMO Cc1cncc(/C=C/C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000131582134 494664898 /nfs/dbraw/zinc/66/48/98/494664898.db2.gz ZFANFQDNHDDMHU-BQYQJAHWSA-N 1 1 360.461 3.009 20 30 FGEDMO Cn1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(-c2ccncc2)n1 ZINC000091792557 494682255 /nfs/dbraw/zinc/68/22/55/494682255.db2.gz XAMCOUDVEFIVDN-UHFFFAOYSA-N 1 1 372.476 3.066 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000108345031 494686971 /nfs/dbraw/zinc/68/69/71/494686971.db2.gz DRYCWVZYESSYQU-QGZVFWFLSA-N 1 1 363.461 3.209 20 30 FGEDMO C=CCc1cc(CN2CC[NH+](Cc3cccc(O)c3)CC2)cc(OC)c1O ZINC000092789538 494748729 /nfs/dbraw/zinc/74/87/29/494748729.db2.gz MQRVXEMXIHMQEU-UHFFFAOYSA-N 1 1 368.477 3.153 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[NH+]1CC(C)C1 ZINC000574290581 505739415 /nfs/dbraw/zinc/73/94/15/505739415.db2.gz TVCMVKUFANKMCT-HNNXBMFYSA-N 1 1 362.433 3.089 20 30 FGEDMO CN(CCC#N)C(=O)CC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000092806034 494755629 /nfs/dbraw/zinc/75/56/29/494755629.db2.gz GLORUPQYFGJDPE-LJQANCHMSA-N 1 1 356.857 3.176 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000108740431 494776965 /nfs/dbraw/zinc/77/69/65/494776965.db2.gz AOMGWGZDMWZYDI-LVCYWYKZSA-N 1 1 371.525 3.446 20 30 FGEDMO COc1ccc(OCC[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075618576 494803566 /nfs/dbraw/zinc/80/35/66/494803566.db2.gz SFCZIAIPQWCQHJ-UHFFFAOYSA-N 1 1 364.405 3.128 20 30 FGEDMO COc1ccc(OCC[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000075618576 494803572 /nfs/dbraw/zinc/80/35/72/494803572.db2.gz SFCZIAIPQWCQHJ-UHFFFAOYSA-N 1 1 364.405 3.128 20 30 FGEDMO C=CCc1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)cc(OC)c1O ZINC000121632077 494825398 /nfs/dbraw/zinc/82/53/98/494825398.db2.gz KEPWJJNASGQACH-UHFFFAOYSA-N 1 1 354.450 3.157 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126728217 494826885 /nfs/dbraw/zinc/82/68/85/494826885.db2.gz VFWRZKWIXLIAEV-AZUAARDMSA-N 1 1 369.509 3.410 20 30 FGEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)ccc1F ZINC000121637286 494827599 /nfs/dbraw/zinc/82/75/99/494827599.db2.gz IQNCXDCBXDHJJZ-LJQANCHMSA-N 1 1 351.425 3.482 20 30 FGEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)ccc1F ZINC000121637286 494827601 /nfs/dbraw/zinc/82/76/01/494827601.db2.gz IQNCXDCBXDHJJZ-LJQANCHMSA-N 1 1 351.425 3.482 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000026663378 494833985 /nfs/dbraw/zinc/83/39/85/494833985.db2.gz SKHVSHCLTUGKQO-GOSISDBHSA-N 1 1 365.433 3.049 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000026663378 494833986 /nfs/dbraw/zinc/83/39/86/494833986.db2.gz SKHVSHCLTUGKQO-GOSISDBHSA-N 1 1 365.433 3.049 20 30 FGEDMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000574312802 505744856 /nfs/dbraw/zinc/74/48/56/505744856.db2.gz JZXIRZWYOCBBFV-LJQANCHMSA-N 1 1 369.490 3.181 20 30 FGEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000574312802 505744859 /nfs/dbraw/zinc/74/48/59/505744859.db2.gz JZXIRZWYOCBBFV-LJQANCHMSA-N 1 1 369.490 3.181 20 30 FGEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2(C#N)CCOCC2)c1 ZINC000109140509 494837821 /nfs/dbraw/zinc/83/78/21/494837821.db2.gz KNBGBEVRWSZFFZ-UHFFFAOYSA-N 1 1 352.438 3.314 20 30 FGEDMO C[C@@H](CCO)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000093310945 494865521 /nfs/dbraw/zinc/86/55/21/494865521.db2.gz XAPAAVHNDLMYLI-KRWDZBQOSA-N 1 1 351.450 3.160 20 30 FGEDMO COc1cc(C[N@@H+](C)[C@H]2CCOC2)ccc1OCc1cccc(C#N)c1 ZINC000116879057 494866062 /nfs/dbraw/zinc/86/60/62/494866062.db2.gz AJWLAAYNEBQSPQ-IBGZPJMESA-N 1 1 352.434 3.367 20 30 FGEDMO N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000027442654 494868239 /nfs/dbraw/zinc/86/82/39/494868239.db2.gz NVWMUPQZZZMOFB-UHFFFAOYSA-N 1 1 355.388 3.231 20 30 FGEDMO Cn1ncc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1C(F)(F)F ZINC000132920349 494942635 /nfs/dbraw/zinc/94/26/35/494942635.db2.gz AKUZEGZOASERJN-UHFFFAOYSA-N 1 1 363.387 3.023 20 30 FGEDMO Cn1ncc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1C(F)(F)F ZINC000132920349 494942639 /nfs/dbraw/zinc/94/26/39/494942639.db2.gz AKUZEGZOASERJN-UHFFFAOYSA-N 1 1 363.387 3.023 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccc(OCC#N)cc2)c1 ZINC000110872418 495015814 /nfs/dbraw/zinc/01/58/14/495015814.db2.gz MUWWGNXNOUANQA-UHFFFAOYSA-N 1 1 365.477 3.288 20 30 FGEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000110998231 495029125 /nfs/dbraw/zinc/02/91/25/495029125.db2.gz JFVCZIVYWWJCGP-AWEZNQCLSA-N 1 1 358.511 3.157 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@H]2C(C)(C)O)c1C#N ZINC000119054120 495081481 /nfs/dbraw/zinc/08/14/81/495081481.db2.gz AQRGDERSIJQXRH-SFHVURJKSA-N 1 1 372.513 3.266 20 30 FGEDMO N#Cc1ccc2ncc(CN3CCC[N@H+](Cc4ccc(F)cc4)CC3)n2c1 ZINC000123164482 495090278 /nfs/dbraw/zinc/09/02/78/495090278.db2.gz IEYUWHUSEWLDEG-UHFFFAOYSA-N 1 1 363.440 3.053 20 30 FGEDMO C=CCC(CC=C)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000123309545 495112731 /nfs/dbraw/zinc/11/27/31/495112731.db2.gz NDTZHODLKSFDKZ-UHFFFAOYSA-N 1 1 355.526 3.209 20 30 FGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000134227398 495124194 /nfs/dbraw/zinc/12/41/94/495124194.db2.gz KNHKOHKVQADSLP-UWJYYQICSA-N 1 1 363.461 3.257 20 30 FGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000134227398 495124195 /nfs/dbraw/zinc/12/41/95/495124195.db2.gz KNHKOHKVQADSLP-UWJYYQICSA-N 1 1 363.461 3.257 20 30 FGEDMO N#Cc1ccc2ncc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2c1 ZINC000123717697 495175261 /nfs/dbraw/zinc/17/52/61/495175261.db2.gz KEKGDSYWLHHZLL-SEJPIABJSA-N 1 1 371.488 3.491 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CCCCC1 ZINC000134769228 495199044 /nfs/dbraw/zinc/19/90/44/495199044.db2.gz LEZFPHBVLRXYGB-OALUTQOASA-N 1 1 373.472 3.056 20 30 FGEDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)CSCc2ccc(C#N)cc2)c1 ZINC000124040449 495225090 /nfs/dbraw/zinc/22/50/90/495225090.db2.gz YMZGJPJINXBGEM-UHFFFAOYSA-N 1 1 363.446 3.319 20 30 FGEDMO Cc1csc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC000103472858 495237704 /nfs/dbraw/zinc/23/77/04/495237704.db2.gz FACWYVBUNLYRBX-GOSISDBHSA-N 1 1 366.490 3.308 20 30 FGEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1cccc(C#N)c1 ZINC000103475207 495238955 /nfs/dbraw/zinc/23/89/55/495238955.db2.gz DIXAUUHQOVLOTE-UHFFFAOYSA-N 1 1 373.460 3.451 20 30 FGEDMO C[C@H]1CCCC[C@H]1OCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000112857693 495248207 /nfs/dbraw/zinc/24/82/07/495248207.db2.gz LRSGXHWAJBBJER-GHTZIAJQSA-N 1 1 369.509 3.188 20 30 FGEDMO C[C@H]1CCCC[C@H]1OCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000112857693 495248211 /nfs/dbraw/zinc/24/82/11/495248211.db2.gz LRSGXHWAJBBJER-GHTZIAJQSA-N 1 1 369.509 3.188 20 30 FGEDMO C[N@@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](c2ccccc2)C1 ZINC000124583683 495311433 /nfs/dbraw/zinc/31/14/33/495311433.db2.gz MGVNVUNEVOVSPE-IBGZPJMESA-N 1 1 359.433 3.097 20 30 FGEDMO C[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](c2ccccc2)C1 ZINC000124583683 495311438 /nfs/dbraw/zinc/31/14/38/495311438.db2.gz MGVNVUNEVOVSPE-IBGZPJMESA-N 1 1 359.433 3.097 20 30 FGEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000106328018 495445190 /nfs/dbraw/zinc/44/51/90/495445190.db2.gz VBGYJDNYDWMQNU-IBGZPJMESA-N 1 1 374.529 3.146 20 30 FGEDMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000139205528 495473813 /nfs/dbraw/zinc/47/38/13/495473813.db2.gz AKYARCIOPKPJMF-HXUWFJFHSA-N 1 1 371.444 3.302 20 30 FGEDMO C[C@@H]1CCC[C@](C#N)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000568823049 505784527 /nfs/dbraw/zinc/78/45/27/505784527.db2.gz OCGDCSXATJQCRP-XIKOKIGWSA-N 1 1 359.380 3.407 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139979426 495485864 /nfs/dbraw/zinc/48/58/64/495485864.db2.gz FEJTWOIJRUQAAF-ZHALLVOQSA-N 1 1 361.555 3.067 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115321354 495490359 /nfs/dbraw/zinc/49/03/59/495490359.db2.gz GVMCNLOMWLZHJM-HXUWFJFHSA-N 1 1 363.461 3.351 20 30 FGEDMO COc1ccc(CCC[N@@H+](C)CCC(=O)Nc2ccccc2C#N)cc1 ZINC000125875910 495512934 /nfs/dbraw/zinc/51/29/34/495512934.db2.gz MHFILCWYNBXFCZ-UHFFFAOYSA-N 1 1 351.450 3.460 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557377 495516530 /nfs/dbraw/zinc/51/65/30/495516530.db2.gz SBZDTDROIQURBM-QRWLVFNGSA-N 1 1 361.461 3.112 20 30 FGEDMO CC(C)(C)c1cccc(OCC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115600345 495520985 /nfs/dbraw/zinc/52/09/85/495520985.db2.gz KNECVWBJZWEVIC-IBGZPJMESA-N 1 1 351.450 3.051 20 30 FGEDMO C[NH+](C)[C@H](C(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000144246070 495541911 /nfs/dbraw/zinc/54/19/11/495541911.db2.gz OWCKIZKQYLSSJY-IBGZPJMESA-N 1 1 353.491 3.211 20 30 FGEDMO C[NH+](C)[C@@H](C(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000144246290 495542243 /nfs/dbraw/zinc/54/22/43/495542243.db2.gz OWCKIZKQYLSSJY-LJQANCHMSA-N 1 1 353.491 3.211 20 30 FGEDMO CC(C)c1nc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000170665605 495553606 /nfs/dbraw/zinc/55/36/06/495553606.db2.gz NLVCMTNOKNTPCR-UHFFFAOYSA-N 1 1 368.506 3.486 20 30 FGEDMO CC(C)c1nc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000170665605 495553608 /nfs/dbraw/zinc/55/36/08/495553608.db2.gz NLVCMTNOKNTPCR-UHFFFAOYSA-N 1 1 368.506 3.486 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c(-c2ccccc2)n1 ZINC000179366913 495562964 /nfs/dbraw/zinc/56/29/64/495562964.db2.gz VFAISOXQTBVGGI-GOSISDBHSA-N 1 1 366.465 3.049 20 30 FGEDMO COc1cc(C#N)ccc1OCCN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185487595 495595259 /nfs/dbraw/zinc/59/52/59/495595259.db2.gz VTXSWRDDJCRTJB-MRXNPFEDSA-N 1 1 371.506 3.386 20 30 FGEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)CCCCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000154442482 495616962 /nfs/dbraw/zinc/61/69/62/495616962.db2.gz HNAMIZAANTXFAY-QUCCMNQESA-N 1 1 355.482 3.050 20 30 FGEDMO C=CCCCCC[N@@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000150893848 495671057 /nfs/dbraw/zinc/67/10/57/495671057.db2.gz SGVPGMGXYHFNOU-UHFFFAOYSA-N 1 1 353.470 3.242 20 30 FGEDMO C=CCCCCC[N@H+](C)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000150893848 495671063 /nfs/dbraw/zinc/67/10/63/495671063.db2.gz SGVPGMGXYHFNOU-UHFFFAOYSA-N 1 1 353.470 3.242 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698668 495686010 /nfs/dbraw/zinc/68/60/10/495686010.db2.gz SITCOVZQMMCRHO-YQQAZPJKSA-N 1 1 372.513 3.338 20 30 FGEDMO C[C@H](C#N)CNC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000182787521 495702712 /nfs/dbraw/zinc/70/27/12/495702712.db2.gz FPNKAVVGZSKIHW-CQSZACIVSA-N 1 1 368.403 3.082 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C#N)cc2F)C[N@H+]1Cc1ccccc1 ZINC000176595739 495713011 /nfs/dbraw/zinc/71/30/11/495713011.db2.gz CRQWBASWPKGIQD-DNVCBOLYSA-N 1 1 366.440 3.160 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2F)C[N@H+]1Cc1ccccc1 ZINC000176595722 495713187 /nfs/dbraw/zinc/71/31/87/495713187.db2.gz CRQWBASWPKGIQD-KXBFYZLASA-N 1 1 366.440 3.160 20 30 FGEDMO N#CCSCCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000173860122 495723203 /nfs/dbraw/zinc/72/32/03/495723203.db2.gz RWTLJBIPFZTTSR-UHFFFAOYSA-N 1 1 372.321 3.398 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](Nc4ccccc4)C3)C2=O)cc1 ZINC000182867845 495734075 /nfs/dbraw/zinc/73/40/75/495734075.db2.gz ILXUCTPJPBHAID-PZJWPPBQSA-N 1 1 360.461 3.240 20 30 FGEDMO CC[N@@H+](C)C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173915310 495745492 /nfs/dbraw/zinc/74/54/92/495745492.db2.gz QELPBEDLQIQDJL-HNNXBMFYSA-N 1 1 374.554 3.101 20 30 FGEDMO C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182939676 495766678 /nfs/dbraw/zinc/76/66/78/495766678.db2.gz VOISDKLRFXVHHY-QFBILLFUSA-N 1 1 354.498 3.353 20 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C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1c(F)cc(C#N)cc1F ZINC000163571920 496534013 /nfs/dbraw/zinc/53/40/13/496534013.db2.gz ANPJUBJKQDMPJC-UHFFFAOYSA-N 1 1 357.404 3.477 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000181774853 496539920 /nfs/dbraw/zinc/53/99/20/496539920.db2.gz WRCZQCVCZFADKS-LJQANCHMSA-N 1 1 356.491 3.363 20 30 FGEDMO N#Cc1c(F)cccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000187787272 496571305 /nfs/dbraw/zinc/57/13/05/496571305.db2.gz WMGJDQUJEJZKQQ-UHFFFAOYSA-N 1 1 355.388 3.185 20 30 FGEDMO N#Cc1c(F)cccc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000187787272 496571309 /nfs/dbraw/zinc/57/13/09/496571309.db2.gz WMGJDQUJEJZKQQ-UHFFFAOYSA-N 1 1 355.388 3.185 20 30 FGEDMO C=C(C)[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)c(F)c1 ZINC000187793626 496575305 /nfs/dbraw/zinc/57/53/05/496575305.db2.gz YAAYLKFEMMDMNX-AEFFLSMTSA-N 1 1 360.408 3.101 20 30 FGEDMO CC(C)Oc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C#N ZINC000157895246 496579610 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C=CC[N@H+](CCCc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000182161360 496692792 /nfs/dbraw/zinc/69/27/92/496692792.db2.gz VXBHPGISHBOQMH-OAHLLOKOSA-N 1 1 372.328 3.057 20 30 FGEDMO N#Cc1ccc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000194883250 496746546 /nfs/dbraw/zinc/74/65/46/496746546.db2.gz KUZOTBCCALGJTH-SFHVURJKSA-N 1 1 353.491 3.191 20 30 FGEDMO N#Cc1nccnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000263894227 496757328 /nfs/dbraw/zinc/75/73/28/496757328.db2.gz ORRHPSZNZQKPOG-UHFFFAOYSA-N 1 1 361.371 3.079 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(OCC#N)c3)CC2)cs1 ZINC000263936351 496766848 /nfs/dbraw/zinc/76/68/48/496766848.db2.gz SUZUWSJBXIPMDR-UHFFFAOYSA-N 1 1 370.478 3.205 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)Nc1cccc2c1C[N@@H+](CCCOC)C2 ZINC000263964052 496775911 /nfs/dbraw/zinc/77/59/11/496775911.db2.gz QRHCMUYNBZOYCS-KRWDZBQOSA-N 1 1 357.498 3.040 20 30 FGEDMO COc1ccccc1-c1noc([C@H](C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000273392210 496792685 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3.335 20 30 FGEDMO COCCCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000194291447 497625847 /nfs/dbraw/zinc/62/58/47/497625847.db2.gz UANJWDISKIGADU-UHFFFAOYSA-N 1 1 351.450 3.426 20 30 FGEDMO COCC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccco1 ZINC000272480917 497640969 /nfs/dbraw/zinc/64/09/69/497640969.db2.gz QUHMUYUAOCCCOF-QZTJIDSGSA-N 1 1 353.422 3.014 20 30 FGEDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccnc1Cl ZINC000272495136 497644252 /nfs/dbraw/zinc/64/42/52/497644252.db2.gz CYGDDSDUJOMKGL-SUMWQHHRSA-N 1 1 354.841 3.453 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc4c3CCC4)CC2)cc1 ZINC000194367219 497645846 /nfs/dbraw/zinc/64/58/46/497645846.db2.gz TWZOSGLMPJZVKY-UHFFFAOYSA-N 1 1 359.473 3.395 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc4c3CCC4)CC2)cc1 ZINC000194367219 497645851 /nfs/dbraw/zinc/64/58/51/497645851.db2.gz TWZOSGLMPJZVKY-UHFFFAOYSA-N 1 1 359.473 3.395 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287679 497684796 /nfs/dbraw/zinc/68/47/96/497684796.db2.gz CUXKGSNBPSICME-OALUTQOASA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287679 497684798 /nfs/dbraw/zinc/68/47/98/497684798.db2.gz CUXKGSNBPSICME-OALUTQOASA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287679 497684802 /nfs/dbraw/zinc/68/48/02/497684802.db2.gz CUXKGSNBPSICME-OALUTQOASA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287679 497684805 /nfs/dbraw/zinc/68/48/05/497684805.db2.gz CUXKGSNBPSICME-OALUTQOASA-N 1 1 368.525 3.473 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280246242 497694473 /nfs/dbraw/zinc/69/44/73/497694473.db2.gz BEFKHSBUASRCJG-STQMWFEESA-N 1 1 352.276 3.084 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246408766 497723790 /nfs/dbraw/zinc/72/37/90/497723790.db2.gz BWADYBDWYRDDFL-IAGOWNOFSA-N 1 1 356.422 3.127 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)ccc1Cl ZINC000191162661 497729569 /nfs/dbraw/zinc/72/95/69/497729569.db2.gz WHTRWECGEDDAOK-HUUCEWRRSA-N 1 1 363.889 3.129 20 30 FGEDMO C[N@@H+]1CCCC[C@H]1CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000268410121 497743052 /nfs/dbraw/zinc/74/30/52/497743052.db2.gz AJFUJIGCJLQUKA-FQEVSTJZSA-N 1 1 354.498 3.083 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000268410121 497743057 /nfs/dbraw/zinc/74/30/57/497743057.db2.gz AJFUJIGCJLQUKA-FQEVSTJZSA-N 1 1 354.498 3.083 20 30 FGEDMO CN1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000268410121 497743063 /nfs/dbraw/zinc/74/30/63/497743063.db2.gz AJFUJIGCJLQUKA-FQEVSTJZSA-N 1 1 354.498 3.083 20 30 FGEDMO N#Cc1ccnc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000268474514 497760229 /nfs/dbraw/zinc/76/02/29/497760229.db2.gz KBPDMYAWGZJZJG-CYBMUJFWSA-N 1 1 357.439 3.247 20 30 FGEDMO N#Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000268479681 497761194 /nfs/dbraw/zinc/76/11/94/497761194.db2.gz LCHWKLMMUYRJBO-AYHJJNSGSA-N 1 1 363.421 3.469 20 30 FGEDMO C[C@@H]1[C@H](NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000329542498 497824600 /nfs/dbraw/zinc/82/46/00/497824600.db2.gz NSPBOAPSORTPPX-HKUYMTLNSA-N 1 1 369.509 3.111 20 30 FGEDMO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329560884 497829967 /nfs/dbraw/zinc/82/99/67/497829967.db2.gz MKNHLNBSVCEHFC-VQIMIIECSA-N 1 1 373.472 3.320 20 30 FGEDMO O=C(NC1CC1)[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000329560884 497829976 /nfs/dbraw/zinc/82/99/76/497829976.db2.gz MKNHLNBSVCEHFC-VQIMIIECSA-N 1 1 373.472 3.320 20 30 FGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)C1 ZINC000329580102 497834866 /nfs/dbraw/zinc/83/48/66/497834866.db2.gz UQCHTGLJNHXGKW-OUUBHVDSSA-N 1 1 365.562 3.140 20 30 FGEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCCN(C3CCCCC3)C1=O)C2 ZINC000329604327 497841694 /nfs/dbraw/zinc/84/16/94/497841694.db2.gz YVPOLYHHONFLRV-MAUKXSAKSA-N 1 1 358.486 3.034 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@](C)(OC)CC1 ZINC000280650323 497842617 /nfs/dbraw/zinc/84/26/17/497842617.db2.gz ZBBJMUNCMVORIK-UWJYYQICSA-N 1 1 373.497 3.221 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)C[N@H+]1C1CC1 ZINC000329633080 497852926 /nfs/dbraw/zinc/85/29/26/497852926.db2.gz WZGKOKKRHHDOJA-DZBHQSCQSA-N 1 1 369.513 3.196 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@@H]3C3CC3)sc2C1 ZINC000334033881 497854987 /nfs/dbraw/zinc/85/49/87/497854987.db2.gz MRWRCLKUYHPCBZ-CXAGYDPISA-N 1 1 373.522 3.184 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOC[C@@H]3C3CC3)sc2C1 ZINC000334033881 497854994 /nfs/dbraw/zinc/85/49/94/497854994.db2.gz MRWRCLKUYHPCBZ-CXAGYDPISA-N 1 1 373.522 3.184 20 30 FGEDMO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000329647333 497856987 /nfs/dbraw/zinc/85/69/87/497856987.db2.gz JSZXXIFCRVXXRZ-IMJJTQAJSA-N 1 1 358.438 3.019 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000292056989 497859829 /nfs/dbraw/zinc/85/98/29/497859829.db2.gz BIBZYLOZFIALGI-RTBURBONSA-N 1 1 368.525 3.128 20 30 FGEDMO C[C@@H](NCC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329673359 497864220 /nfs/dbraw/zinc/86/42/20/497864220.db2.gz NZXDUALLJFPTQY-ZIAGYGMSSA-N 1 1 362.543 3.462 20 30 FGEDMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329680770 497868221 /nfs/dbraw/zinc/86/82/21/497868221.db2.gz RNEWUDMVGMWLLW-UKPHBRMFSA-N 1 1 361.534 3.256 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000329687493 497869038 /nfs/dbraw/zinc/86/90/38/497869038.db2.gz ANSFZZWXPOOYDU-SEVLPDGMSA-N 1 1 371.525 3.178 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[C@@H](C)C1 ZINC000329691280 497871001 /nfs/dbraw/zinc/87/10/01/497871001.db2.gz BUCMERSRYSDFCZ-QSJFSLAZSA-N 1 1 352.523 3.096 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000329697248 497872903 /nfs/dbraw/zinc/87/29/03/497872903.db2.gz YFFKPWMSMWUJRO-GJZGRUSLSA-N 1 1 360.454 3.325 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000329701504 497874879 /nfs/dbraw/zinc/87/48/79/497874879.db2.gz HKIFPQMKUCTJMB-XLIONFOSSA-N 1 1 371.525 3.459 20 30 FGEDMO C#CCCCNC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000364276928 497875742 /nfs/dbraw/zinc/87/57/42/497875742.db2.gz DQSDRBBYRVFMPJ-UHFFFAOYSA-N 1 1 366.465 3.019 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329720287 497879228 /nfs/dbraw/zinc/87/92/28/497879228.db2.gz AJSMLONSFIMKOU-CVYDXHPNSA-N 1 1 363.502 3.469 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329720287 497879236 /nfs/dbraw/zinc/87/92/36/497879236.db2.gz AJSMLONSFIMKOU-CVYDXHPNSA-N 1 1 363.502 3.469 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000280771457 497891533 /nfs/dbraw/zinc/89/15/33/497891533.db2.gz DKIBGCMQHNOTEP-JOCHJYFZSA-N 1 1 374.488 3.397 20 30 FGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288773569 497895481 /nfs/dbraw/zinc/89/54/81/497895481.db2.gz JUUARXVWHSLFOR-OAQYLSRUSA-N 1 1 354.425 3.133 20 30 FGEDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1COc2c1ccc(Cl)c2Cl ZINC000329791862 497902762 /nfs/dbraw/zinc/90/27/62/497902762.db2.gz FAFMFHKVTJMLFY-IINYFYTJSA-N 1 1 370.280 3.415 20 30 FGEDMO Cc1cc(C[NH2+]C[C@@H](C#N)CCC#N)ccc1I ZINC000578461628 505945236 /nfs/dbraw/zinc/94/52/36/505945236.db2.gz BIUGXHYWWRWPPH-CYBMUJFWSA-N 1 1 353.207 3.133 20 30 FGEDMO Cc1ccc(-n2cc(NC(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)cn2)c(C)c1 ZINC000329856380 497930185 /nfs/dbraw/zinc/93/01/85/497930185.db2.gz YCJSRBSNBDGKOA-PKOBYXMFSA-N 1 1 353.470 3.251 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1F ZINC000296170117 497941916 /nfs/dbraw/zinc/94/19/16/497941916.db2.gz AYMXLOBHXISJHM-HOCLYGCPSA-N 1 1 355.417 3.201 20 30 FGEDMO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)C1 ZINC000329896959 497944368 /nfs/dbraw/zinc/94/43/68/497944368.db2.gz CSPMRKCOPCAXGV-GJZGRUSLSA-N 1 1 355.548 3.153 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC000329899791 497945096 /nfs/dbraw/zinc/94/50/96/497945096.db2.gz FSIQZCXUGQTDCS-MRXNPFEDSA-N 1 1 356.470 3.496 20 30 FGEDMO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000329905343 497946287 /nfs/dbraw/zinc/94/62/87/497946287.db2.gz JNKWWIKTIMTKMQ-IBGZPJMESA-N 1 1 367.497 3.190 20 30 FGEDMO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C)C(=O)N1CCCCC1 ZINC000329907072 497947825 /nfs/dbraw/zinc/94/78/25/497947825.db2.gz KPJXYGLVALIUEW-QWHCGFSZSA-N 1 1 363.424 3.007 20 30 FGEDMO C[C@H](NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C)C(=O)N1CCCCC1 ZINC000329907072 497947833 /nfs/dbraw/zinc/94/78/33/497947833.db2.gz KPJXYGLVALIUEW-QWHCGFSZSA-N 1 1 363.424 3.007 20 30 FGEDMO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1(C)C ZINC000296198636 497952058 /nfs/dbraw/zinc/95/20/58/497952058.db2.gz VZMAAUPZIIPMRP-HKUYNNGSSA-N 1 1 357.498 3.377 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1C#N ZINC000288956166 497958460 /nfs/dbraw/zinc/95/84/60/497958460.db2.gz XWXCZWRSQGBVBY-NRFANRHFSA-N 1 1 354.425 3.133 20 30 FGEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000329944839 497963786 /nfs/dbraw/zinc/96/37/86/497963786.db2.gz WYABBGYEECGHSC-UHFFFAOYSA-N 1 1 374.529 3.142 20 30 FGEDMO COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CC2=O)cc1 ZINC000329970403 497974762 /nfs/dbraw/zinc/97/47/62/497974762.db2.gz XECBENWXCPOKRQ-CRAIPNDOSA-N 1 1 371.481 3.022 20 30 FGEDMO N#Cc1ccc(C[C@@H](C#N)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000280988084 497977729 /nfs/dbraw/zinc/97/77/29/497977729.db2.gz MWDLXRWUSCUULW-PZJWPPBQSA-N 1 1 364.493 3.154 20 30 FGEDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]cn2)CC1 ZINC000329981219 497978905 /nfs/dbraw/zinc/97/89/05/497978905.db2.gz MVHQNEUALHHSQO-SFHVURJKSA-N 1 1 367.497 3.025 20 30 FGEDMO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(c2cnc[nH]2)CC1 ZINC000329981219 497978913 /nfs/dbraw/zinc/97/89/13/497978913.db2.gz MVHQNEUALHHSQO-SFHVURJKSA-N 1 1 367.497 3.025 20 30 FGEDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2cnc[nH]2)CC1 ZINC000329981219 497978920 /nfs/dbraw/zinc/97/89/20/497978920.db2.gz MVHQNEUALHHSQO-SFHVURJKSA-N 1 1 367.497 3.025 20 30 FGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2sccc2C#N)C1 ZINC000280994651 497979524 /nfs/dbraw/zinc/97/95/24/497979524.db2.gz MDKZHECNMFWRMZ-IWCQGFGOSA-N 1 1 361.511 3.210 20 30 FGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2sccc2C#N)C1 ZINC000280994651 497979529 /nfs/dbraw/zinc/97/95/29/497979529.db2.gz MDKZHECNMFWRMZ-IWCQGFGOSA-N 1 1 361.511 3.210 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000285062425 497983897 /nfs/dbraw/zinc/98/38/97/497983897.db2.gz LQJZHJWEDYZRAK-RTBURBONSA-N 1 1 351.454 3.002 20 30 FGEDMO COc1cc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1Br ZINC000329995093 497984001 /nfs/dbraw/zinc/98/40/01/497984001.db2.gz ZVPHDCSIXDJZGU-UONOGXRCSA-N 1 1 368.275 3.220 20 30 FGEDMO CC(=O)N1CCC([N@H+](CC#Cc2ccccc2)Cc2cncs2)CC1 ZINC000292366325 497987579 /nfs/dbraw/zinc/98/75/79/497987579.db2.gz IPJOEZOXMFIFQG-UHFFFAOYSA-N 1 1 353.491 3.008 20 30 FGEDMO CC(=O)N1CCC([N@@H+](CC#Cc2ccccc2)Cc2cncs2)CC1 ZINC000292366325 497987586 /nfs/dbraw/zinc/98/75/86/497987586.db2.gz IPJOEZOXMFIFQG-UHFFFAOYSA-N 1 1 353.491 3.008 20 30 FGEDMO COc1cccc2c1CC[C@H]2NC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330008783 497989171 /nfs/dbraw/zinc/98/91/71/497989171.db2.gz FRYVFDKTQDSPQW-MRXNPFEDSA-N 1 1 365.437 3.223 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(c3ccc(Cl)c(C#N)n3)CC2)cc1 ZINC000301187363 497991027 /nfs/dbraw/zinc/99/10/27/497991027.db2.gz SYPVVPUPEAQXSF-UHFFFAOYSA-N 1 1 356.857 3.328 20 30 FGEDMO N#Cc1cc(F)ccc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000301208658 498000854 /nfs/dbraw/zinc/00/08/54/498000854.db2.gz SFYXGSIYORXDNO-UHFFFAOYSA-N 1 1 352.413 3.212 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)CC1 ZINC000330050712 498003709 /nfs/dbraw/zinc/00/37/09/498003709.db2.gz MERHPDBHMBRAEL-APWZRJJASA-N 1 1 373.545 3.158 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000330050712 498003713 /nfs/dbraw/zinc/00/37/13/498003713.db2.gz MERHPDBHMBRAEL-APWZRJJASA-N 1 1 373.545 3.158 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000330050712 498003716 /nfs/dbraw/zinc/00/37/16/498003716.db2.gz MERHPDBHMBRAEL-APWZRJJASA-N 1 1 373.545 3.158 20 30 FGEDMO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000301267943 498029740 /nfs/dbraw/zinc/02/97/40/498029740.db2.gz WRGDBELNKFDNKT-CQSZACIVSA-N 1 1 358.392 3.382 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCCc3c[nH]nc32)C1 ZINC000330128394 498031197 /nfs/dbraw/zinc/03/11/97/498031197.db2.gz JLONURYKFINQRI-RYRKJORJSA-N 1 1 359.518 3.288 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000330128394 498031206 /nfs/dbraw/zinc/03/12/06/498031206.db2.gz JLONURYKFINQRI-RYRKJORJSA-N 1 1 359.518 3.288 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000330128394 498031213 /nfs/dbraw/zinc/03/12/13/498031213.db2.gz JLONURYKFINQRI-RYRKJORJSA-N 1 1 359.518 3.288 20 30 FGEDMO O=C(Nc1ccc(Oc2cccc(F)c2F)nc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000330188753 498054445 /nfs/dbraw/zinc/05/44/45/498054445.db2.gz LJFUMDLDSZZYEU-CQSZACIVSA-N 1 1 374.391 3.478 20 30 FGEDMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1c(Cl)cccc1C#N ZINC000301383690 498086017 /nfs/dbraw/zinc/08/60/17/498086017.db2.gz BGJBTAJZKKPUGZ-HNNXBMFYSA-N 1 1 355.873 3.229 20 30 FGEDMO CCO[C@@H]1C[C@H](NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C12CCCC2 ZINC000330286343 498093793 /nfs/dbraw/zinc/09/37/93/498093793.db2.gz ZSPFTTPTTJOBFO-JKSUJKDBSA-N 1 1 371.485 3.265 20 30 FGEDMO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)nc1 ZINC000330290419 498095243 /nfs/dbraw/zinc/09/52/43/498095243.db2.gz FTNJRYICVLEIEI-ROUUACIJSA-N 1 1 372.513 3.481 20 30 FGEDMO Cn1c2ccc(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)cc2n(C)c1=O ZINC000330294427 498095988 /nfs/dbraw/zinc/09/59/88/498095988.db2.gz INQAJWYLWVSACF-QGZVFWFLSA-N 1 1 356.470 3.262 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)C23CCCC3)sc2c1CCCC2 ZINC000292656624 498096327 /nfs/dbraw/zinc/09/63/27/498096327.db2.gz IHXXWPPEANDVJF-KRWDZBQOSA-N 1 1 373.522 3.207 20 30 FGEDMO Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000330324887 498105599 /nfs/dbraw/zinc/10/55/99/498105599.db2.gz IVEFXUZLRMNTDS-KRWDZBQOSA-N 1 1 354.458 3.262 20 30 FGEDMO C[C@H](C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000330330688 498106864 /nfs/dbraw/zinc/10/68/64/498106864.db2.gz NLSVLPIXTOONHQ-UIAACRFSSA-N 1 1 368.481 3.044 20 30 FGEDMO 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ZINC000329012819 499014889 /nfs/dbraw/zinc/01/48/89/499014889.db2.gz FEBFSXILHYBCDI-SFHVURJKSA-N 1 1 371.525 3.441 20 30 FGEDMO CC(C)n1cc([C@@H]2C[N@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C[C@H]2CO)cn1 ZINC000329026977 499018592 /nfs/dbraw/zinc/01/85/92/499018592.db2.gz JZOOTQJQXLAPLM-BVBHFADKSA-N 1 1 362.518 3.007 20 30 FGEDMO CC(C)n1cc([C@@H]2C[N@@H+](CC(=O)N[C@H]3CCCC[C@H]3C)C[C@H]2CO)cn1 ZINC000329026977 499018594 /nfs/dbraw/zinc/01/85/94/499018594.db2.gz JZOOTQJQXLAPLM-BVBHFADKSA-N 1 1 362.518 3.007 20 30 FGEDMO CC(C)n1cc([C@@H]2C[N@H+]([C@H](C)C(=O)NC3CCCCC3)C[C@H]2CO)cn1 ZINC000329029110 499019711 /nfs/dbraw/zinc/01/97/11/499019711.db2.gz KSMVDNVERAGSFJ-AYBZRNKSSA-N 1 1 362.518 3.149 20 30 FGEDMO NC(=O)c1cnn2c1C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC000329107370 499043492 /nfs/dbraw/zinc/04/34/92/499043492.db2.gz DVKANRSZTRSRII-RHSMWYFYSA-N 1 1 373.501 3.082 20 30 FGEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000299384342 499044405 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499101806 /nfs/dbraw/zinc/10/18/06/499101806.db2.gz NPZBJTUWONZRMV-UHFFFAOYSA-N 1 1 360.461 3.179 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccnc(C4CC4)c3)CC2)cc1 ZINC000329333798 499101809 /nfs/dbraw/zinc/10/18/09/499101809.db2.gz NPZBJTUWONZRMV-UHFFFAOYSA-N 1 1 360.461 3.179 20 30 FGEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000329338324 499102977 /nfs/dbraw/zinc/10/29/77/499102977.db2.gz YPXFATJSSFDZJO-ZWKOTPCHSA-N 1 1 357.502 3.176 20 30 FGEDMO Cc1cc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cnc1N1CCCC[C@H]1C ZINC000329369454 499111029 /nfs/dbraw/zinc/11/10/29/499111029.db2.gz IHJPXMDVVCIJIL-SJLPKXTDSA-N 1 1 357.502 3.094 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[C@@H]1CCCCO1 ZINC000329377102 499111187 /nfs/dbraw/zinc/11/11/87/499111187.db2.gz LVJBMCDAJBAEIT-HOJAQTOUSA-N 1 1 359.514 3.360 20 30 FGEDMO CN1C[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCC1=O ZINC000329427998 499120182 /nfs/dbraw/zinc/12/01/82/499120182.db2.gz HOEHGOVTUDDKEI-JKSUJKDBSA-N 1 1 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RRNCSHIOLZNDQW-UHFFFAOYSA-N 1 1 362.445 3.410 20 30 FGEDMO CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OC ZINC000430186625 500205744 /nfs/dbraw/zinc/20/57/44/500205744.db2.gz NYPPXBBPDXRCSY-KRWDZBQOSA-N 1 1 353.422 3.014 20 30 FGEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430188478 500206275 /nfs/dbraw/zinc/20/62/75/500206275.db2.gz SHOAPDCANGUJSG-XKSYAXFZSA-N 1 1 364.405 3.418 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000426074797 500233043 /nfs/dbraw/zinc/23/30/43/500233043.db2.gz FTGYCOVDKFKEOH-NJYVYQBISA-N 1 1 371.525 3.416 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000426074797 500233047 /nfs/dbraw/zinc/23/30/47/500233047.db2.gz FTGYCOVDKFKEOH-NJYVYQBISA-N 1 1 371.525 3.416 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1C#N ZINC000426474494 500277131 /nfs/dbraw/zinc/27/71/31/500277131.db2.gz IEKJZKYCQVDLEB-LPHOPBHVSA-N 1 1 366.465 3.431 20 30 FGEDMO 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MYEYMJZWWUVJAG-YOEHRIQHSA-N 1 1 366.431 3.239 20 30 FGEDMO C[C@@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1Cl ZINC000433180892 500640489 /nfs/dbraw/zinc/64/04/89/500640489.db2.gz WGODIAGFHYOQLP-DNVCBOLYSA-N 1 1 369.896 3.281 20 30 FGEDMO C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(C#N)cc1Cl ZINC000433180892 500640493 /nfs/dbraw/zinc/64/04/93/500640493.db2.gz WGODIAGFHYOQLP-DNVCBOLYSA-N 1 1 369.896 3.281 20 30 FGEDMO CC(C)[N@@H+]1CCC[C@H](CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433319167 500671554 /nfs/dbraw/zinc/67/15/54/500671554.db2.gz NQJGYYPSRRIRCI-GOSISDBHSA-N 1 1 366.513 3.069 20 30 FGEDMO CC(C)[N@H+]1CCC[C@H](CNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433319167 500671557 /nfs/dbraw/zinc/67/15/57/500671557.db2.gz NQJGYYPSRRIRCI-GOSISDBHSA-N 1 1 366.513 3.069 20 30 FGEDMO C=CCC[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000433404382 500687962 /nfs/dbraw/zinc/68/79/62/500687962.db2.gz WTFXVJQMDSWJOM-QUCCMNQESA-N 1 1 359.514 3.494 20 30 FGEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437844085 500705733 /nfs/dbraw/zinc/70/57/33/500705733.db2.gz SGEHVKSMNASSQQ-VQIMIIECSA-N 1 1 355.482 3.239 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437878123 500710934 /nfs/dbraw/zinc/71/09/34/500710934.db2.gz ORYUPDBEQISWJC-APWZRJJASA-N 1 1 355.482 3.239 20 30 FGEDMO CC(C)[N@H+]1CCc2nc(CN3CCC[C@@]4(CCCCO4)[C@@H]3C#N)sc2C1 ZINC000448279607 500742481 /nfs/dbraw/zinc/74/24/81/500742481.db2.gz AKGUPBIXIFNYDJ-ICSRJNTNSA-N 1 1 374.554 3.337 20 30 FGEDMO CC(C)[N@@H+]1CCc2nc(NC(=O)C3(c4ccc(C#N)cc4)CC3)sc2C1 ZINC000444306907 500832149 /nfs/dbraw/zinc/83/21/49/500832149.db2.gz XIILVFZJTKZKMO-UHFFFAOYSA-N 1 1 366.490 3.452 20 30 FGEDMO CC(C)[N@H+]1CCc2nc(NC(=O)C3(c4ccc(C#N)cc4)CC3)sc2C1 ZINC000444306907 500832153 /nfs/dbraw/zinc/83/21/53/500832153.db2.gz XIILVFZJTKZKMO-UHFFFAOYSA-N 1 1 366.490 3.452 20 30 FGEDMO CCOC(=O)c1cc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)[nH]c1C ZINC000449017277 500898900 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COCC[C@@H]1CCCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000434981799 500918723 /nfs/dbraw/zinc/91/87/23/500918723.db2.gz INWMREVXGJJNBW-SFHVURJKSA-N 1 1 367.497 3.497 20 30 FGEDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1)C(N)=O ZINC000449408371 500996296 /nfs/dbraw/zinc/99/62/96/500996296.db2.gz JHFHKCOUAPEATA-GOSISDBHSA-N 1 1 357.498 3.483 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1Cl ZINC000449432939 501001814 /nfs/dbraw/zinc/00/18/14/501001814.db2.gz JYJCNEANRQQMRA-JFIYKMOQSA-N 1 1 351.874 3.267 20 30 FGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000449459318 501008120 /nfs/dbraw/zinc/00/81/20/501008120.db2.gz KOCCKKSHLKXOEN-FQEVSTJZSA-N 1 1 367.493 3.381 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1OCCCC#N ZINC000449556329 501032616 /nfs/dbraw/zinc/03/26/16/501032616.db2.gz SCFJUDOGCIWGKI-QYZOEREBSA-N 1 1 358.482 3.361 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1OC ZINC000449767775 501082106 /nfs/dbraw/zinc/08/21/06/501082106.db2.gz QXMPFIQNIHSNNC-OCCSQVGLSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](C)C[C@H](O)C2)cc1OC ZINC000449767775 501082107 /nfs/dbraw/zinc/08/21/07/501082107.db2.gz QXMPFIQNIHSNNC-OCCSQVGLSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCC1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCCC1 ZINC000449798263 501090363 /nfs/dbraw/zinc/09/03/63/501090363.db2.gz QBWVKWOSPZSJQV-GOSISDBHSA-N 1 1 355.482 3.211 20 30 FGEDMO C=CCC1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCCC1 ZINC000449798263 501090365 /nfs/dbraw/zinc/09/03/65/501090365.db2.gz QBWVKWOSPZSJQV-GOSISDBHSA-N 1 1 355.482 3.211 20 30 FGEDMO C[C@H]1C[NH+](Cc2cccc(Nc3ncc(C#N)cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000450341717 501095850 /nfs/dbraw/zinc/09/58/50/501095850.db2.gz MKQDOVOINPKDOO-KBPBESRZSA-N 1 1 367.409 3.214 20 30 FGEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000441321300 501119645 /nfs/dbraw/zinc/11/96/45/501119645.db2.gz CAKGKIZGODTVHK-QRWLVFNGSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000441321300 501119648 /nfs/dbraw/zinc/11/96/48/501119648.db2.gz CAKGKIZGODTVHK-QRWLVFNGSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)n2C)CC[N@H+]1Cc1ccccc1 ZINC000449907876 501123028 /nfs/dbraw/zinc/12/30/28/501123028.db2.gz QLDXFRGLSVVURC-AEFFLSMTSA-N 1 1 350.466 3.022 20 30 FGEDMO COCc1nc(C[NH2+]Cc2cc(C#N)n(C)c2)c(-c2ccccc2)s1 ZINC000441364405 501128047 /nfs/dbraw/zinc/12/80/47/501128047.db2.gz ZACOQYFSWVANMP-UHFFFAOYSA-N 1 1 352.463 3.456 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450491107 501135773 /nfs/dbraw/zinc/13/57/73/501135773.db2.gz VZMBSKNVUVNFGN-RBUKOAKNSA-N 1 1 372.419 3.427 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450491107 501135776 /nfs/dbraw/zinc/13/57/76/501135776.db2.gz VZMBSKNVUVNFGN-RBUKOAKNSA-N 1 1 372.419 3.427 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C#N)c2Br)[C@@H](C)C1 ZINC000449985014 501145127 /nfs/dbraw/zinc/14/51/27/501145127.db2.gz LAERNMPZQZPEEE-WFASDCNBSA-N 1 1 364.287 3.123 20 30 FGEDMO N#Cc1cccc(C(=O)N2CCC(c3cnc[nH]3)CC2)c1Br ZINC000450064311 501169841 /nfs/dbraw/zinc/16/98/41/501169841.db2.gz YAYQLSLJNRWPCF-UHFFFAOYSA-N 1 1 359.227 3.064 20 30 FGEDMO Cn1c(C#N)ccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450303506 501229572 /nfs/dbraw/zinc/22/95/72/501229572.db2.gz NFBHFRWIMWBPOZ-SCLBCKFNSA-N 1 1 374.847 3.112 20 30 FGEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000451149929 501248480 /nfs/dbraw/zinc/24/84/80/501248480.db2.gz VEPIDPZZAMEDSD-ZENOOKHLSA-N 1 1 353.388 3.226 20 30 FGEDMO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000451256293 501255367 /nfs/dbraw/zinc/25/53/67/501255367.db2.gz OKMYPEWMPLNDDT-HLLBOEOZSA-N 1 1 361.511 3.112 20 30 FGEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000451256293 501255368 /nfs/dbraw/zinc/25/53/68/501255368.db2.gz OKMYPEWMPLNDDT-HLLBOEOZSA-N 1 1 361.511 3.112 20 30 FGEDMO C=CCC[C@H](CO)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000457661504 501280881 /nfs/dbraw/zinc/28/08/81/501280881.db2.gz STFYQCMTBAAXCZ-FXAWDEMLSA-N 1 1 359.514 3.187 20 30 FGEDMO CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@@H]1C ZINC000451523152 501312434 /nfs/dbraw/zinc/31/24/34/501312434.db2.gz CLRGGHODRLUOMZ-JENIJYKNSA-N 1 1 373.497 3.077 20 30 FGEDMO CO[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1(C)C ZINC000451557740 501323173 /nfs/dbraw/zinc/32/31/73/501323173.db2.gz YBVFBRSRSCHYEI-IBGZPJMESA-N 1 1 357.498 3.297 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)NCC(C)(C)CC#N)C[C@H](C)O1 ZINC000457861029 501323792 /nfs/dbraw/zinc/32/37/92/501323792.db2.gz OHFIDPLJROWUBX-IRXDYDNUSA-N 1 1 372.513 3.035 20 30 FGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1C ZINC000451558751 501323851 /nfs/dbraw/zinc/32/38/51/501323851.db2.gz GOIPFNSCOIZQEE-YQQAZPJKSA-N 1 1 361.511 3.234 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1C ZINC000451558751 501323852 /nfs/dbraw/zinc/32/38/52/501323852.db2.gz GOIPFNSCOIZQEE-YQQAZPJKSA-N 1 1 361.511 3.234 20 30 FGEDMO C=CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000453429786 501330349 /nfs/dbraw/zinc/33/03/49/501330349.db2.gz CDNGZRGKNJLQDM-SFHVURJKSA-N 1 1 369.513 3.270 20 30 FGEDMO C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453437514 501332007 /nfs/dbraw/zinc/33/20/07/501332007.db2.gz JHVCBMHDBOQCKL-SJLPKXTDSA-N 1 1 359.518 3.016 20 30 FGEDMO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453448015 501333903 /nfs/dbraw/zinc/33/39/03/501333903.db2.gz BWVVBGPFKXPXBS-FUHWJXTLSA-N 1 1 359.518 3.016 20 30 FGEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453453577 501335711 /nfs/dbraw/zinc/33/57/11/501335711.db2.gz OMPQQWLEWWPSAW-JENIJYKNSA-N 1 1 368.529 3.026 20 30 FGEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000453454073 501336155 /nfs/dbraw/zinc/33/61/55/501336155.db2.gz POCIMIHQKOQJLT-QGZVFWFLSA-N 1 1 359.543 3.425 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000453466778 501339801 /nfs/dbraw/zinc/33/98/01/501339801.db2.gz PQLIZENMVURWQG-UHOSZYNNSA-N 1 1 371.529 3.159 20 30 FGEDMO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000453470344 501340868 /nfs/dbraw/zinc/34/08/68/501340868.db2.gz PQLIZENMVURWQG-YTQUADARSA-N 1 1 371.529 3.159 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](O)CC(C)(C)C2)c1 ZINC000451810941 501377505 /nfs/dbraw/zinc/37/75/05/501377505.db2.gz OGMVPRSPHVYZPU-ICSRJNTNSA-N 1 1 371.525 3.422 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455801438 501388960 /nfs/dbraw/zinc/38/89/60/501388960.db2.gz ZFHWLLQAJPEFEY-CQSZACIVSA-N 1 1 369.856 3.345 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455801438 501388964 /nfs/dbraw/zinc/38/89/64/501388964.db2.gz ZFHWLLQAJPEFEY-CQSZACIVSA-N 1 1 369.856 3.345 20 30 FGEDMO O[C@H]([C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)F ZINC000451913905 501399990 /nfs/dbraw/zinc/39/99/90/501399990.db2.gz TWUGOEODIPXWAG-TZMCWYRMSA-N 1 1 351.290 3.302 20 30 FGEDMO O[C@H]([C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)F ZINC000451913905 501399992 /nfs/dbraw/zinc/39/99/92/501399992.db2.gz TWUGOEODIPXWAG-TZMCWYRMSA-N 1 1 351.290 3.302 20 30 FGEDMO COC[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000452087918 501432583 /nfs/dbraw/zinc/43/25/83/501432583.db2.gz PUIQBPCETYEZTP-QGZVFWFLSA-N 1 1 353.466 3.486 20 30 FGEDMO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000452100239 501435302 /nfs/dbraw/zinc/43/53/02/501435302.db2.gz HXEVEILBMXBCNO-ZIAGYGMSSA-N 1 1 361.511 3.184 20 30 FGEDMO COC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000452100239 501435306 /nfs/dbraw/zinc/43/53/06/501435306.db2.gz HXEVEILBMXBCNO-ZIAGYGMSSA-N 1 1 361.511 3.184 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)NCCc1ccc(C#N)cc1)c1ccccc1Cl ZINC000596094201 506253975 /nfs/dbraw/zinc/25/39/75/506253975.db2.gz JRSKCXFDXNMUPM-IBGZPJMESA-N 1 1 370.884 3.356 20 30 FGEDMO C[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454273952 501498576 /nfs/dbraw/zinc/49/85/76/501498576.db2.gz LNSOSTHJKHVLPA-SFHVURJKSA-N 1 1 362.477 3.222 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCc2ccc(C#N)cc2)CCC1 ZINC000454280023 501500613 /nfs/dbraw/zinc/50/06/13/501500613.db2.gz SWXQPZBVDGCVNR-UHFFFAOYSA-N 1 1 362.477 3.412 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000598977231 506257867 /nfs/dbraw/zinc/25/78/67/506257867.db2.gz STQGVVVEOLFGEB-KRWDZBQOSA-N 1 1 368.525 3.331 20 30 FGEDMO C=CCC(C)(C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000458811962 501536512 /nfs/dbraw/zinc/53/65/12/501536512.db2.gz PKYSJNKNQAXPCM-FUHWJXTLSA-N 1 1 361.534 3.047 20 30 FGEDMO C=CC(C)(C)CNC(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000458983604 501571081 /nfs/dbraw/zinc/57/10/81/501571081.db2.gz DVIDNSLTNVDJHR-FUHWJXTLSA-N 1 1 361.534 3.047 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000459103076 501594718 /nfs/dbraw/zinc/59/47/18/501594718.db2.gz BDHLDJMYSOHFGP-FUHWJXTLSA-N 1 1 372.488 3.493 20 30 FGEDMO C=CCC[C@H](CO)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000456778367 501597259 /nfs/dbraw/zinc/59/72/59/501597259.db2.gz NZWLPGODOWSNKF-OAQYLSRUSA-N 1 1 352.478 3.376 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454753824 501622316 /nfs/dbraw/zinc/62/23/16/501622316.db2.gz FHVOBNNOGTUQIX-OAHLLOKOSA-N 1 1 354.429 3.017 20 30 FGEDMO CCOc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)ccc1O ZINC000459325159 501631218 /nfs/dbraw/zinc/63/12/18/501631218.db2.gz KXSPRWBODPFASL-UHFFFAOYSA-N 1 1 351.450 3.375 20 30 FGEDMO C[C@@H]1[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000454953394 501660898 /nfs/dbraw/zinc/66/08/98/501660898.db2.gz CMPWBOYRWZURID-FOIQADDNSA-N 1 1 366.440 3.160 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)CC2)cc1 ZINC000598992050 506266570 /nfs/dbraw/zinc/26/65/70/506266570.db2.gz KIAVMPABEBLMKO-YTFSRNRJSA-N 1 1 371.484 3.178 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3[C@@H]4c5ccccc5C[C@H]34)CC2)cc1 ZINC000598992050 506266577 /nfs/dbraw/zinc/26/65/77/506266577.db2.gz KIAVMPABEBLMKO-YTFSRNRJSA-N 1 1 371.484 3.178 20 30 FGEDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cc1OCCCC#N ZINC000459682265 501698180 /nfs/dbraw/zinc/69/81/80/501698180.db2.gz SKLSQBQOALJXIW-ZWKOTPCHSA-N 1 1 356.466 3.379 20 30 FGEDMO C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](CC[N@H+](C)CCOC)c1ccccc1 ZINC000457519102 501715233 /nfs/dbraw/zinc/71/52/33/501715233.db2.gz FFGGRUGCUJQWPH-NJDAHSKKSA-N 1 1 374.525 3.184 20 30 FGEDMO N#Cc1cnc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c(Cl)c1 ZINC000460021315 501725135 /nfs/dbraw/zinc/72/51/35/501725135.db2.gz JMJDLTYFCGABDA-OAHLLOKOSA-N 1 1 352.825 3.231 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ncc(C#N)cc1Cl ZINC000470590425 501737565 /nfs/dbraw/zinc/73/75/65/501737565.db2.gz HKRJXMJWEIZAKZ-GOSISDBHSA-N 1 1 370.884 3.493 20 30 FGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(I)c1 ZINC000467293504 501762937 /nfs/dbraw/zinc/76/29/37/501762937.db2.gz KZJPXWAEMAEOOB-NSHDSACASA-N 1 1 358.223 3.126 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000470836938 501824035 /nfs/dbraw/zinc/82/40/35/501824035.db2.gz RLUQDSRXBVYODB-ZPMCFJSWSA-N 1 1 372.472 3.192 20 30 FGEDMO COc1cccc2c(N3CCN(c4cc(C#N)ccn4)CC3)cc(C)[nH+]c12 ZINC000481707742 501857816 /nfs/dbraw/zinc/85/78/16/501857816.db2.gz VCDDIHVNBUHJGH-UHFFFAOYSA-N 1 1 359.433 3.145 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000478032075 501859700 /nfs/dbraw/zinc/85/97/00/501859700.db2.gz SGHHUDYPWNFYJX-HXUWFJFHSA-N 1 1 368.502 3.287 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000478032075 501859706 /nfs/dbraw/zinc/85/97/06/501859706.db2.gz SGHHUDYPWNFYJX-HXUWFJFHSA-N 1 1 368.502 3.287 20 30 FGEDMO C=C(C)Cn1c(-c2ncccc2C)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000460589255 501870287 /nfs/dbraw/zinc/87/02/87/501870287.db2.gz ZPHUQHZBGZTNMH-IAGOWNOFSA-N 1 1 354.502 3.144 20 30 FGEDMO C=CCCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000478132805 501889896 /nfs/dbraw/zinc/88/98/96/501889896.db2.gz OFEQOJRBBUHDFY-UHFFFAOYSA-N 1 1 371.525 3.102 20 30 FGEDMO CC[N@@H+](CCCO)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000471040362 501899631 /nfs/dbraw/zinc/89/96/31/501899631.db2.gz JJORCANOQMKKHM-UHFFFAOYSA-N 1 1 354.450 3.350 20 30 FGEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460790566 501921822 /nfs/dbraw/zinc/92/18/22/501921822.db2.gz MORSINGFYCKUEF-XLAORIBOSA-N 1 1 361.534 3.261 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)C[C@@H]1C ZINC000460848891 501937553 /nfs/dbraw/zinc/93/75/53/501937553.db2.gz LCGSLSAPLFQQIY-DLBZAZTESA-N 1 1 366.513 3.392 20 30 FGEDMO C=CCNc1ncc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)s1 ZINC000482063754 501961778 /nfs/dbraw/zinc/96/17/78/501961778.db2.gz VDXLUWIBOIZUTB-UHFFFAOYSA-N 1 1 350.875 3.130 20 30 FGEDMO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@H+](CC)CC1 ZINC000460949015 501967702 /nfs/dbraw/zinc/96/77/02/501967702.db2.gz KRWSOEUWXDZONL-UHFFFAOYSA-N 1 1 369.513 3.274 20 30 FGEDMO C=CCOc1ccccc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471386801 502007315 /nfs/dbraw/zinc/00/73/15/502007315.db2.gz XFUYMQQMFZQHME-BGYRXZFFSA-N 1 1 362.473 3.455 20 30 FGEDMO O=C(C[NH+]1CCC(C(F)F)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000486135282 502058709 /nfs/dbraw/zinc/05/87/09/502058709.db2.gz IJAHJZHRDHTGRT-UHFFFAOYSA-N 1 1 374.353 3.150 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000464769076 502087229 /nfs/dbraw/zinc/08/72/29/502087229.db2.gz CASXLKVBRUPWGH-FPOVZHCZSA-N 1 1 371.525 3.027 20 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ZINC000464836256 502111502 /nfs/dbraw/zinc/11/15/02/502111502.db2.gz WECIYNOYQRQPFQ-PMACEKPBSA-N 1 1 355.526 3.172 20 30 FGEDMO CN(C(=O)CCCCCC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000588655877 506294492 /nfs/dbraw/zinc/29/44/92/506294492.db2.gz LGMQVFCFHCIZQM-VQTJNVASSA-N 1 1 362.562 3.256 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1OCC ZINC000471796190 502138598 /nfs/dbraw/zinc/13/85/98/502138598.db2.gz COFPYBYTNZZTLR-JSGCOSHPSA-N 1 1 370.287 3.368 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1OCC ZINC000471796190 502138602 /nfs/dbraw/zinc/13/86/02/502138602.db2.gz COFPYBYTNZZTLR-JSGCOSHPSA-N 1 1 370.287 3.368 20 30 FGEDMO C=CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000468766295 502176535 /nfs/dbraw/zinc/17/65/35/502176535.db2.gz AVJINUGAJLDZRU-OAHLLOKOSA-N 1 1 362.412 3.422 20 30 FGEDMO C=CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000468766295 502176541 /nfs/dbraw/zinc/17/65/41/502176541.db2.gz AVJINUGAJLDZRU-OAHLLOKOSA-N 1 1 362.412 3.422 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+](CCO)[C@H]2CCCSC2)ccc1OC ZINC000475497546 502191597 /nfs/dbraw/zinc/19/15/97/502191597.db2.gz WVIVULQOVQBZNX-KRWDZBQOSA-N 1 1 351.512 3.340 20 30 FGEDMO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(C#N)c1 ZINC000461799399 502206446 /nfs/dbraw/zinc/20/64/46/502206446.db2.gz WKNDSTBHFJVGDI-SFHVURJKSA-N 1 1 372.472 3.268 20 30 FGEDMO C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(C#N)c1 ZINC000461799399 502206452 /nfs/dbraw/zinc/20/64/52/502206452.db2.gz WKNDSTBHFJVGDI-SFHVURJKSA-N 1 1 372.472 3.268 20 30 FGEDMO CCn1nccc1C[N@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000482922825 502217360 /nfs/dbraw/zinc/21/73/60/502217360.db2.gz VHRZWLHVELCEAF-UHFFFAOYSA-N 1 1 360.461 3.436 20 30 FGEDMO CCn1nccc1C[N@@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000482922825 502217367 /nfs/dbraw/zinc/21/73/67/502217367.db2.gz VHRZWLHVELCEAF-UHFFFAOYSA-N 1 1 360.461 3.436 20 30 FGEDMO CCn1nc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc21 ZINC000472079579 502222914 /nfs/dbraw/zinc/22/29/14/502222914.db2.gz VGFAELFOKRTWTG-IBGZPJMESA-N 1 1 373.460 3.213 20 30 FGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000472090682 502227604 /nfs/dbraw/zinc/22/76/04/502227604.db2.gz PLMYZNXLJXFYKE-PXNSSMCTSA-N 1 1 366.509 3.257 20 30 FGEDMO C=CCCCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000486814648 502273056 /nfs/dbraw/zinc/27/30/56/502273056.db2.gz UYXUBCNFAUBXDL-UHFFFAOYSA-N 1 1 354.491 3.269 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)C1=O ZINC000483114040 502278024 /nfs/dbraw/zinc/27/80/24/502278024.db2.gz KDMBALCCGKQBIG-DOTOQJQBSA-N 1 1 355.438 3.354 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)C1=O ZINC000483114040 502278029 /nfs/dbraw/zinc/27/80/29/502278029.db2.gz KDMBALCCGKQBIG-DOTOQJQBSA-N 1 1 355.438 3.354 20 30 FGEDMO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000472243960 502283085 /nfs/dbraw/zinc/28/30/85/502283085.db2.gz WARCNCZNNOURJH-SFHVURJKSA-N 1 1 357.498 3.237 20 30 FGEDMO CCN1CC[NH+](Cc2ccccc2CNc2nc(C)cc(C)c2C#N)CC1 ZINC000486974255 502320149 /nfs/dbraw/zinc/32/01/49/502320149.db2.gz XXLQBZPAEUBYPC-UHFFFAOYSA-N 1 1 363.509 3.320 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000465620568 502327774 /nfs/dbraw/zinc/32/77/74/502327774.db2.gz CDQOFLLQPHOXOR-WTGUMLROSA-N 1 1 352.482 3.095 20 30 FGEDMO N#CCCCN1C(=O)CCc2cc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc21 ZINC000469245442 502349327 /nfs/dbraw/zinc/34/93/27/502349327.db2.gz NLLKRCQPBMGGTA-RBUKOAKNSA-N 1 1 352.482 3.308 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469291066 502364124 /nfs/dbraw/zinc/36/41/24/502364124.db2.gz VDPSVWKXXWQZMO-SFHVURJKSA-N 1 1 366.465 3.454 20 30 FGEDMO CN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CCC[C@@H]1C#N ZINC000602814999 506312214 /nfs/dbraw/zinc/31/22/14/506312214.db2.gz IULNCQMBTSMUSC-QAPCUYQASA-N 1 1 358.511 3.391 20 30 FGEDMO C=CC[N@H+](CCOc1ccccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596210999 506312466 /nfs/dbraw/zinc/31/24/66/506312466.db2.gz HSZDGELJUIXICX-INIZCTEOSA-N 1 1 367.428 3.429 20 30 FGEDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000480015214 502445593 /nfs/dbraw/zinc/44/55/93/502445593.db2.gz GMPYEYRINPZWTA-INIZCTEOSA-N 1 1 351.498 3.262 20 30 FGEDMO CCC(CC)[C@@H](CNC(=O)[C@@H](C#N)CCc1ccccc1)[NH+]1CCOCC1 ZINC000469508384 502446417 /nfs/dbraw/zinc/44/64/17/502446417.db2.gz KSVUTQXIZDNOFZ-NHCUHLMSSA-N 1 1 371.525 3.012 20 30 FGEDMO C=CCN(CC1CCCCC1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000483906236 502518858 /nfs/dbraw/zinc/51/88/58/502518858.db2.gz NDYNVUDNBBLNII-HDICACEKSA-N 1 1 351.535 3.264 20 30 FGEDMO Cc1nc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)ccc1C#N ZINC000487753501 502522327 /nfs/dbraw/zinc/52/23/27/502522327.db2.gz QUNBEWTUNJMBSM-UHFFFAOYSA-N 1 1 373.460 3.415 20 30 FGEDMO C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000466378793 502553216 /nfs/dbraw/zinc/55/32/16/502553216.db2.gz SECYROWFURQWST-DFQSSKMNSA-N 1 1 364.578 3.320 20 30 FGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487895809 502559929 /nfs/dbraw/zinc/55/99/29/502559929.db2.gz KRJBOOAXAHNOSD-OAHLLOKOSA-N 1 1 365.275 3.125 20 30 FGEDMO CCC[C@H]1CN(c2c(C#N)cnc3ccc(C)cc32)CC[N@H+]1CCOC ZINC000488106591 502628213 /nfs/dbraw/zinc/62/82/13/502628213.db2.gz PPWVFTLBLFATFL-SFHVURJKSA-N 1 1 352.482 3.352 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000466778881 502674247 /nfs/dbraw/zinc/67/42/47/502674247.db2.gz QZGSIQWTUOSWQH-UZLBHIALSA-N 1 1 354.498 3.209 20 30 FGEDMO C[N@H+](Cc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477099331 502677198 /nfs/dbraw/zinc/67/71/98/502677198.db2.gz LFWZYKSWHZYUCH-NRFANRHFSA-N 1 1 369.424 3.475 20 30 FGEDMO C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000477099331 502677204 /nfs/dbraw/zinc/67/72/04/502677204.db2.gz LFWZYKSWHZYUCH-NRFANRHFSA-N 1 1 369.424 3.475 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C(C)C)[C@H]2CCOC2)ccc1Cl ZINC000463237244 502731462 /nfs/dbraw/zinc/73/14/62/502731462.db2.gz URJSEXHOHZVJFK-KRWDZBQOSA-N 1 1 363.889 3.394 20 30 FGEDMO C=C(CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000484810781 502745067 /nfs/dbraw/zinc/74/50/67/502745067.db2.gz NBQQEGNIUKZTQK-UHFFFAOYSA-N 1 1 365.477 3.031 20 30 FGEDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000481116779 502758502 /nfs/dbraw/zinc/75/85/02/502758502.db2.gz WSNSGFZFIQEMEH-UHFFFAOYSA-N 1 1 353.260 3.484 20 30 FGEDMO C=CCCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000474077337 502801596 /nfs/dbraw/zinc/80/15/96/502801596.db2.gz FSXBNVBRBFQWAK-WOJBJXKFSA-N 1 1 364.578 3.321 20 30 FGEDMO N#CCSCCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000467148788 502802728 /nfs/dbraw/zinc/80/27/28/502802728.db2.gz HLGWMITWBYEYBB-KRWDZBQOSA-N 1 1 359.495 3.061 20 30 FGEDMO C[N@@H+](CCN(Cc1ccccc1)c1cnc(C#N)cn1)Cc1ccccc1 ZINC000500728346 502849560 /nfs/dbraw/zinc/84/95/60/502849560.db2.gz ZKKPEVRTTBQVQZ-UHFFFAOYSA-N 1 1 357.461 3.487 20 30 FGEDMO C=CCn1cccc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000489021229 502863132 /nfs/dbraw/zinc/86/31/32/502863132.db2.gz VJLIZFNXHIVKMM-UHFFFAOYSA-N 1 1 351.494 3.455 20 30 FGEDMO C=CC[N@H+](CCc1c(C)nc2sccn2c1=O)Cc1ccc(OC)cc1 ZINC000509311731 502872484 /nfs/dbraw/zinc/87/24/84/502872484.db2.gz WXLROPJOPHEULT-UHFFFAOYSA-N 1 1 369.490 3.304 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000489135887 502885850 /nfs/dbraw/zinc/88/58/50/502885850.db2.gz WQPFIVKCPNOQKY-KRWDZBQOSA-N 1 1 356.919 3.363 20 30 FGEDMO CCC(CC)[C@H](CNC(=O)c1cc(C#N)ccc1Cl)[NH+]1CCOCC1 ZINC000505341524 502891310 /nfs/dbraw/zinc/89/13/10/502891310.db2.gz BPZNUJPVEQKFTM-SFHVURJKSA-N 1 1 363.889 3.078 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ncccn1)CCC2 ZINC000602897454 506341021 /nfs/dbraw/zinc/34/10/21/506341021.db2.gz JPEGXTWWYOKUAV-HNNXBMFYSA-N 1 1 367.478 3.064 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]1c1ncccn1)CCC2 ZINC000602897454 506341027 /nfs/dbraw/zinc/34/10/27/506341027.db2.gz JPEGXTWWYOKUAV-HNNXBMFYSA-N 1 1 367.478 3.064 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000509461493 502909150 /nfs/dbraw/zinc/90/91/50/502909150.db2.gz DZBIGRBJAIWWGR-BZUAXINKSA-N 1 1 360.527 3.044 20 30 FGEDMO CCc1ccc([C@H]2CN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC[NH2+]2)cc1 ZINC000505483199 502913179 /nfs/dbraw/zinc/91/31/79/502913179.db2.gz GTLUSHWBRKTXDA-HRAATJIYSA-N 1 1 363.461 3.061 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000513406198 502928826 /nfs/dbraw/zinc/92/88/26/502928826.db2.gz ODIFYAKZJDNYDX-UHFFFAOYSA-N 1 1 366.440 3.238 20 30 FGEDMO CCc1ccc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC[NH2+]2)cc1 ZINC000505543946 502931772 /nfs/dbraw/zinc/93/17/72/502931772.db2.gz WZIPDNIQWCMOAM-UZLBHIALSA-N 1 1 363.461 3.061 20 30 FGEDMO C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000505600816 502946367 /nfs/dbraw/zinc/94/63/67/502946367.db2.gz ZSDMESMFYJTKCJ-SJLPKXTDSA-N 1 1 357.498 3.075 20 30 FGEDMO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc(F)cc(C#N)c1 ZINC000513619234 502982373 /nfs/dbraw/zinc/98/23/73/502982373.db2.gz JQZNCVPMMZHFCS-LJQANCHMSA-N 1 1 357.473 3.356 20 30 FGEDMO CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497613080 503000248 /nfs/dbraw/zinc/00/02/48/503000248.db2.gz VTGDLYSOWUYFLK-JTDSTZFVSA-N 1 1 370.497 3.346 20 30 FGEDMO C=CCCCS(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000489699524 503014205 /nfs/dbraw/zinc/01/42/05/503014205.db2.gz LUFHNJGGDINDGC-WOJBJXKFSA-N 1 1 362.539 3.269 20 30 FGEDMO C[C@H](CNC(=O)NCCSCc1ccccc1C#N)[N@H+]1CCCC[C@H]1C ZINC000501522671 503028872 /nfs/dbraw/zinc/02/88/72/503028872.db2.gz QODJNWQQVFCFJI-IAGOWNOFSA-N 1 1 374.554 3.354 20 30 FGEDMO CCOc1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000506086505 503044228 /nfs/dbraw/zinc/04/42/28/503044228.db2.gz PPFWSZYXKCKXNT-UHFFFAOYSA-N 1 1 365.477 3.283 20 30 FGEDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000510153902 503060156 /nfs/dbraw/zinc/06/01/56/503060156.db2.gz DQOKGORMEAFINS-HDICACEKSA-N 1 1 366.465 3.014 20 30 FGEDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 ZINC000510153902 503060158 /nfs/dbraw/zinc/06/01/58/503060158.db2.gz DQOKGORMEAFINS-HDICACEKSA-N 1 1 366.465 3.014 20 30 FGEDMO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498126887 503112918 /nfs/dbraw/zinc/11/29/18/503112918.db2.gz QQGCXRFTOOBPSN-LJQANCHMSA-N 1 1 353.466 3.294 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(SC)CC2)cc1 ZINC000602920624 506352562 /nfs/dbraw/zinc/35/25/62/506352562.db2.gz XFVHVAYZCFGKOM-UHFFFAOYSA-N 1 1 361.511 3.159 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000514245279 503123884 /nfs/dbraw/zinc/12/38/84/503123884.db2.gz VGWRTPUBPUQMLA-QGZVFWFLSA-N 1 1 365.477 3.352 20 30 FGEDMO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000498285571 503150542 /nfs/dbraw/zinc/15/05/42/503150542.db2.gz NOKKDYOBSXTHAC-UXHICEINSA-N 1 1 353.466 3.465 20 30 FGEDMO C[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000502274803 503172238 /nfs/dbraw/zinc/17/22/38/503172238.db2.gz HQCUKENWXGNQOH-ROUUACIJSA-N 1 1 366.509 3.477 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(c3ncnc4cc(Cl)ccc43)CC2)cc1 ZINC000514711062 503173956 /nfs/dbraw/zinc/17/39/56/503173956.db2.gz VPDKHUMASYSCGS-UHFFFAOYSA-N 1 1 363.852 3.477 20 30 FGEDMO C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C1=CC[N@@H+](C)CC1 ZINC000510743333 503183927 /nfs/dbraw/zinc/18/39/27/503183927.db2.gz RPQYMKQNQLRUKT-HNNXBMFYSA-N 1 1 365.433 3.110 20 30 FGEDMO Cc1onc(CC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c1C#N ZINC000498521330 503201330 /nfs/dbraw/zinc/20/13/30/503201330.db2.gz FMMRJTCCWKXOEA-HNNXBMFYSA-N 1 1 366.465 3.088 20 30 FGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)ccc1C#N ZINC000510946843 503222788 /nfs/dbraw/zinc/22/27/88/503222788.db2.gz CZQKNJBKRISALQ-HNNXBMFYSA-N 1 1 353.388 3.147 20 30 FGEDMO CCCC[N@@H+](C)CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000490829254 503233638 /nfs/dbraw/zinc/23/36/38/503233638.db2.gz RUZMJHYOUMCRPU-UHFFFAOYSA-N 1 1 355.404 3.088 20 30 FGEDMO CCC1(C)CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 ZINC000507165968 503241877 /nfs/dbraw/zinc/24/18/77/503241877.db2.gz TZYDTXXYLQTTKV-UHFFFAOYSA-N 1 1 374.529 3.464 20 30 FGEDMO CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000515023981 503252355 /nfs/dbraw/zinc/25/23/55/503252355.db2.gz NBYUQAWNQVUALW-HXUWFJFHSA-N 1 1 369.509 3.188 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511104946 503255635 /nfs/dbraw/zinc/25/56/35/503255635.db2.gz HPGMJWYRYCYIPX-ZDUSSCGKSA-N 1 1 369.387 3.010 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511104946 503255639 /nfs/dbraw/zinc/25/56/39/503255639.db2.gz HPGMJWYRYCYIPX-ZDUSSCGKSA-N 1 1 369.387 3.010 20 30 FGEDMO COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000502748190 503263047 /nfs/dbraw/zinc/26/30/47/503263047.db2.gz IVGOMWWQFUWEFW-UHFFFAOYSA-N 1 1 364.405 3.321 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000491408564 503304435 /nfs/dbraw/zinc/30/44/35/503304435.db2.gz FFSLDVPKDFUCBP-UHFFFAOYSA-N 1 1 356.422 3.110 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000491408564 503304436 /nfs/dbraw/zinc/30/44/36/503304436.db2.gz FFSLDVPKDFUCBP-UHFFFAOYSA-N 1 1 356.422 3.110 20 30 FGEDMO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1OCCc2sccc21 ZINC000515336334 503317141 /nfs/dbraw/zinc/31/71/41/503317141.db2.gz QGXXPZHXRWIPHI-SGTLLEGYSA-N 1 1 366.446 3.462 20 30 FGEDMO C[C@@H](CCNC(=O)NCC#Cc1cccc(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000511565360 503344921 /nfs/dbraw/zinc/34/49/21/503344921.db2.gz JSYQIVVFYHTNCT-SFHVURJKSA-N 1 1 367.468 3.387 20 30 FGEDMO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507832371 503376640 /nfs/dbraw/zinc/37/66/40/503376640.db2.gz AGWVTBKTEUMIGD-DYESRHJHSA-N 1 1 369.509 3.439 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+]2CCc3sc(-c4csc(C)n4)cc3C2)C1=O ZINC000499600831 503440374 /nfs/dbraw/zinc/44/03/74/503440374.db2.gz PNYUJKFGEQDWTM-HNNXBMFYSA-N 1 1 359.520 3.325 20 30 FGEDMO C=CCN1CC[C@H]([N@H+]2CCc3sc(-c4csc(C)n4)cc3C2)C1=O ZINC000499600831 503440377 /nfs/dbraw/zinc/44/03/77/503440377.db2.gz PNYUJKFGEQDWTM-HNNXBMFYSA-N 1 1 359.520 3.325 20 30 FGEDMO CCC(CC)[N@@H+](CC)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000516210213 503471746 /nfs/dbraw/zinc/47/17/46/503471746.db2.gz FMVGSESZYAJUMV-FQEVSTJZSA-N 1 1 374.504 3.045 20 30 FGEDMO CCN(C(=O)Cc1noc(C)c1C#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000499773728 503479439 /nfs/dbraw/zinc/47/94/39/503479439.db2.gz ANOCTMFNUYZEQH-CRAIPNDOSA-N 1 1 366.465 3.081 20 30 FGEDMO N#Cc1ccc(C[N@H+](CCO)Cc2cccc(F)c2)c(OC(F)F)c1 ZINC000494231816 503508609 /nfs/dbraw/zinc/50/86/09/503508609.db2.gz VUKPBNAVRDUMIM-UHFFFAOYSA-N 1 1 350.340 3.293 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCO)Cc2cccc(F)c2)c(OC(F)F)c1 ZINC000494231816 503508612 /nfs/dbraw/zinc/50/86/12/503508612.db2.gz VUKPBNAVRDUMIM-UHFFFAOYSA-N 1 1 350.340 3.293 20 30 FGEDMO C=CCSCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000508564367 503520870 /nfs/dbraw/zinc/52/08/70/503520870.db2.gz OYPBSROXCOUUDU-MRXNPFEDSA-N 1 1 354.466 3.179 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)CCCOc2cccc(C(F)(F)F)c2)C1=O ZINC000500020629 503534909 /nfs/dbraw/zinc/53/49/09/503534909.db2.gz RQGGBHHPRNFMRW-MRXNPFEDSA-N 1 1 356.388 3.193 20 30 FGEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000516606949 503548437 /nfs/dbraw/zinc/54/84/37/503548437.db2.gz XOBNIDQNDBBVSR-AUUYWEPGSA-N 1 1 357.479 3.430 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000512507332 503572331 /nfs/dbraw/zinc/57/23/31/503572331.db2.gz YDSKUZSMYZUDSB-HNNXBMFYSA-N 1 1 364.314 3.439 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(OC(F)F)c1 ZINC000512507332 503572335 /nfs/dbraw/zinc/57/23/35/503572335.db2.gz YDSKUZSMYZUDSB-HNNXBMFYSA-N 1 1 364.314 3.439 20 30 FGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)COc1ccc(F)cc1 ZINC000512517484 503574876 /nfs/dbraw/zinc/57/48/76/503574876.db2.gz WZCIGAHHOVUJAM-LJQANCHMSA-N 1 1 361.461 3.421 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2c(F)cccc2C#N)C1 ZINC000512551914 503582110 /nfs/dbraw/zinc/58/21/10/503582110.db2.gz HIOCHCMIOZWKDD-DLBZAZTESA-N 1 1 357.473 3.353 20 30 FGEDMO C=CC[N@@H+](C)CC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000494654694 503584875 /nfs/dbraw/zinc/58/48/75/503584875.db2.gz OHQKUJDYPRBUHF-UHFFFAOYSA-N 1 1 354.450 3.008 20 30 FGEDMO C=CC[N@H+](C)CC(=O)NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000494654694 503584879 /nfs/dbraw/zinc/58/48/79/503584879.db2.gz OHQKUJDYPRBUHF-UHFFFAOYSA-N 1 1 354.450 3.008 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000516800902 503590533 /nfs/dbraw/zinc/59/05/33/503590533.db2.gz GBMKCAGTCGSLKS-UWJYYQICSA-N 1 1 374.488 3.367 20 30 FGEDMO C=CCn1c(N2CC[NH+](Cc3ccccc3OC)CC2)nnc1C(C)(C)C ZINC000508954524 503606941 /nfs/dbraw/zinc/60/69/41/503606941.db2.gz XYXWAVUPKHVRBL-UHFFFAOYSA-N 1 1 369.513 3.092 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)cc1 ZINC000504790532 503616235 /nfs/dbraw/zinc/61/62/35/503616235.db2.gz VAPYRVUTXOZFHR-LJQANCHMSA-N 1 1 369.415 3.332 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCCC34CC4)CC2)cc1 ZINC000599240539 506383196 /nfs/dbraw/zinc/38/31/96/506383196.db2.gz AHWOBAGDNZDSTD-FQEVSTJZSA-N 1 1 366.509 3.356 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C(C)(C)C1 ZINC000500496932 503636291 /nfs/dbraw/zinc/63/62/91/503636291.db2.gz VXIOGUMKOAQBGX-UHFFFAOYSA-N 1 1 363.461 3.303 20 30 FGEDMO CC(C)(C#N)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000512895308 503651250 /nfs/dbraw/zinc/65/12/50/503651250.db2.gz JUSFMWFHRFVQSG-RBUKOAKNSA-N 1 1 354.498 3.232 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000532921104 503656202 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354.841 3.425 20 30 FGEDMO C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@@H](Cc2ccccc2)C1 ZINC000593216500 506471803 /nfs/dbraw/zinc/47/18/03/506471803.db2.gz VJLRVESUHNXEKF-SFHVURJKSA-N 1 1 352.413 3.088 20 30 FGEDMO C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@@H](Cc2ccccc2)C1 ZINC000593216500 506471807 /nfs/dbraw/zinc/47/18/07/506471807.db2.gz VJLRVESUHNXEKF-SFHVURJKSA-N 1 1 352.413 3.088 20 30 FGEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc(O)cc(C#N)c3)cc2)C1 ZINC000589188820 506474791 /nfs/dbraw/zinc/47/47/91/506474791.db2.gz RIDVOLBYBYPBCQ-OAHLLOKOSA-N 1 1 365.433 3.237 20 30 FGEDMO N#Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ncc1Br ZINC000603317066 506483842 /nfs/dbraw/zinc/48/38/42/506483842.db2.gz FZISKMOSHIAQSL-BLLLJJGKSA-N 1 1 361.287 3.169 20 30 FGEDMO C=CCc1cc(CNc2nc(N3CCCC3)cc[nH+]2)cc(OC)c1OC ZINC000603386298 506499653 /nfs/dbraw/zinc/49/96/53/506499653.db2.gz PAJZQIBHERUNJW-UHFFFAOYSA-N 1 1 354.454 3.435 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 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C[NH+](C)Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)ccc1Cl ZINC000589593415 506594055 /nfs/dbraw/zinc/59/40/55/506594055.db2.gz BZTDBXYMHZJBOH-UHFFFAOYSA-N 1 1 363.870 3.268 20 30 FGEDMO N#Cc1c(F)cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000596787895 506598514 /nfs/dbraw/zinc/59/85/14/506598514.db2.gz IAUHAPVUXFFACL-INIZCTEOSA-N 1 1 355.388 3.231 20 30 FGEDMO Cc1cc(CNc2ccc(C(F)(F)F)c(C#N)n2)cc(N2CCCC2)[nH+]1 ZINC000589604125 506600339 /nfs/dbraw/zinc/60/03/39/506600339.db2.gz GEEMQYWEACEPEY-UHFFFAOYSA-N 1 1 361.371 3.310 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccc(Cl)o3)CC2)cc1 ZINC000603747821 506609717 /nfs/dbraw/zinc/60/97/17/506609717.db2.gz OSQMYVAIFDJEFK-UHFFFAOYSA-N 1 1 372.856 3.222 20 30 FGEDMO CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000593423089 506612048 /nfs/dbraw/zinc/61/20/48/506612048.db2.gz TWPARPWBQBCMGG-UXHICEINSA-N 1 1 356.514 3.446 20 30 FGEDMO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000583190231 506640262 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ZINC000595827309 507703014 /nfs/dbraw/zinc/70/30/14/507703014.db2.gz BPQDVDRBYXNHRS-UHFFFAOYSA-N 1 1 367.493 3.189 20 30 FGEDMO N#Cc1c(N2CC[NH+](Cc3cccs3)CC2)nc2cc(Cl)ccn12 ZINC000587010175 507703708 /nfs/dbraw/zinc/70/37/08/507703708.db2.gz IWRGNWVLIYKYTP-UHFFFAOYSA-N 1 1 357.870 3.243 20 30 FGEDMO C[C@@H](CCC#N)C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000602548695 507745891 /nfs/dbraw/zinc/74/58/91/507745891.db2.gz VLUYNYSDJUBWML-HNNXBMFYSA-N 1 1 368.447 3.487 20 30 FGEDMO COCC[N@H+]1CCC[C@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000479978377 561200513 /nfs/dbraw/zinc/20/05/13/561200513.db2.gz XCCLXPWRKKYKCO-INIZCTEOSA-N 1 1 367.497 3.007 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000330265013 568032934 /nfs/dbraw/zinc/03/29/34/568032934.db2.gz YQGUDLGTORTTHN-WMZOPIPTSA-N 1 1 373.472 3.209 20 30 FGEDMO N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000739106863 600572085 /nfs/dbraw/zinc/57/20/85/600572085.db2.gz UKNXMJMUMODALR-AZUAARDMSA-N 1 1 355.482 3.272 20 30 FGEDMO C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736722799 600599074 /nfs/dbraw/zinc/59/90/74/600599074.db2.gz DUPNGASCEWHUCR-HRAATJIYSA-N 1 1 363.461 3.499 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000822801390 606452451 /nfs/dbraw/zinc/45/24/51/606452451.db2.gz IILORAJHIXUMNX-RTBURBONSA-N 1 1 362.412 3.278 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000822801390 606452452 /nfs/dbraw/zinc/45/24/52/606452452.db2.gz IILORAJHIXUMNX-RTBURBONSA-N 1 1 362.412 3.278 20 30 FGEDMO C#CCOc1ccccc1C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823862142 608855392 /nfs/dbraw/zinc/85/53/92/608855392.db2.gz YEVTWPMLHZMTJE-UHFFFAOYSA-N 1 1 371.444 3.168 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=S)NC3CCCCC3)CC2)cc1 ZINC000017517645 695634363 /nfs/dbraw/zinc/63/43/63/695634363.db2.gz RDEUTJFZDXUKIP-UHFFFAOYSA-N 1 1 356.539 3.273 20 30 FGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](CN(CC)CC(F)(F)F)C2)cc1 ZINC000093771082 700453985 /nfs/dbraw/zinc/45/39/85/700453985.db2.gz WVTNMDHYRZOMHL-QGZVFWFLSA-N 1 1 354.416 3.405 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000121081543 700665370 /nfs/dbraw/zinc/66/53/70/700665370.db2.gz UXSFXLFTLJQHST-AEFFLSMTSA-N 1 1 365.949 3.352 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]CC(=C)Br ZINC000134402715 704822020 /nfs/dbraw/zinc/82/20/20/704822020.db2.gz LDTQBZMBEQQXTI-UHFFFAOYSA-N 1 1 359.061 3.459 20 30 FGEDMO Cc1oc(-c2cccs2)nc1CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000158202156 705177123 /nfs/dbraw/zinc/17/71/23/705177123.db2.gz KSKDHNZYVHRTEA-UHFFFAOYSA-N 1 1 355.419 3.484 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000171199103 705378478 /nfs/dbraw/zinc/37/84/78/705378478.db2.gz HOMHRASOMSLYOP-ZDUSSCGKSA-N 1 1 372.332 3.168 20 30 FGEDMO C#CC[N@H+](Cc1cnc(N2CCOCC2)s1)[C@@H]1CCc2ccccc21 ZINC000179204375 705692408 /nfs/dbraw/zinc/69/24/08/705692408.db2.gz CSLRZDOQFSTGDE-LJQANCHMSA-N 1 1 353.491 3.102 20 30 FGEDMO C#CC[N@@H+](Cc1cnc(N2CCOCC2)s1)[C@@H]1CCc2ccccc21 ZINC000179204375 705692412 /nfs/dbraw/zinc/69/24/12/705692412.db2.gz CSLRZDOQFSTGDE-LJQANCHMSA-N 1 1 353.491 3.102 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000186597736 712723537 /nfs/dbraw/zinc/72/35/37/712723537.db2.gz ALZXJKULQHHOBE-ROUUACIJSA-N 1 1 365.949 3.495 20 30 FGEDMO CC#CC[C@@H](CO)[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000641768487 717928236 /nfs/dbraw/zinc/92/82/36/717928236.db2.gz AMHRKKCIMFVDCY-AWEZNQCLSA-N 1 1 350.871 3.239 20 30 FGEDMO C=CC[C@H](CC)NC(=O)N[C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000373999862 713891820 /nfs/dbraw/zinc/89/18/20/713891820.db2.gz UPTFHGSOUQTWBL-QRTARXTBSA-N 1 1 350.532 3.316 20 30 FGEDMO C[C@H]1C[C@H](c2cccs2)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000374063656 713897164 /nfs/dbraw/zinc/89/71/64/713897164.db2.gz GNUPZLFGSJFLIT-HOCLYGCPSA-N 1 1 360.504 3.271 20 30 FGEDMO C[C@H]1C[C@H](c2cccs2)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000374063656 713897169 /nfs/dbraw/zinc/89/71/69/713897169.db2.gz GNUPZLFGSJFLIT-HOCLYGCPSA-N 1 1 360.504 3.271 20 30 FGEDMO C[NH+](C)[C@@H](C(=O)NCCOc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000524672271 714294834 /nfs/dbraw/zinc/29/48/34/714294834.db2.gz HSJVFMRFQGCROC-GOSISDBHSA-N 1 1 357.841 3.010 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC12CCOCC2 ZINC000618316839 714733995 /nfs/dbraw/zinc/73/39/95/714733995.db2.gz IHKPHHZFJXKAIH-HNNXBMFYSA-N 1 1 359.495 3.132 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC12CCOCC2 ZINC000618316839 714733999 /nfs/dbraw/zinc/73/39/99/714733999.db2.gz IHKPHHZFJXKAIH-HNNXBMFYSA-N 1 1 359.495 3.132 20 30 FGEDMO C=CCOc1c(Cl)cc(CN[C@@H]2CC[N@@H+](CC3CC3)C2)cc1OC ZINC000623410362 715329315 /nfs/dbraw/zinc/32/93/15/715329315.db2.gz LVGBDNIXDUXYKM-MRXNPFEDSA-N 1 1 350.890 3.487 20 30 FGEDMO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCN(CC3CC3)C2)cc1OC ZINC000623410362 715329325 /nfs/dbraw/zinc/32/93/25/715329325.db2.gz LVGBDNIXDUXYKM-MRXNPFEDSA-N 1 1 350.890 3.487 20 30 FGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000625700119 715774923 /nfs/dbraw/zinc/77/49/23/715774923.db2.gz JCSAFJXZWKFUJH-ZDUSSCGKSA-N 1 1 350.846 3.338 20 30 FGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000625700119 715774927 /nfs/dbraw/zinc/77/49/27/715774927.db2.gz JCSAFJXZWKFUJH-ZDUSSCGKSA-N 1 1 350.846 3.338 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1OC ZINC000628279956 716134761 /nfs/dbraw/zinc/13/47/61/716134761.db2.gz JBBFOIQKJLQUKK-CYBMUJFWSA-N 1 1 353.768 3.268 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)cc1OC ZINC000628279956 716134763 /nfs/dbraw/zinc/13/47/63/716134763.db2.gz JBBFOIQKJLQUKK-CYBMUJFWSA-N 1 1 353.768 3.268 20 30 FGEDMO O[C@@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000645089908 718180914 /nfs/dbraw/zinc/18/09/14/718180914.db2.gz ZGVSQKGWLKQOGM-RWMBFGLXSA-N 1 1 359.285 3.402 20 30 FGEDMO N#Cc1cc(Cl)nnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164621853 719066228 /nfs/dbraw/zinc/06/62/28/719066228.db2.gz HYXJSKXUGOEYHB-RDJZCZTQSA-N 1 1 353.857 3.102 20 30 FGEDMO C=CCCn1cc(C[NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)nn1 ZINC000657288979 719618662 /nfs/dbraw/zinc/61/86/62/719618662.db2.gz CNEOJQXBQHSHEG-GOSISDBHSA-N 1 1 359.543 3.479 20 30 FGEDMO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000782393941 724663433 /nfs/dbraw/zinc/66/34/33/724663433.db2.gz SOQYSALGMJHWLL-IBGZPJMESA-N 1 1 365.905 3.259 20 30 FGEDMO N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)CCCC2 ZINC001164733893 720436456 /nfs/dbraw/zinc/43/64/56/720436456.db2.gz QNPVYQHYDBDYGO-RTWAWAEBSA-N 1 1 359.477 3.080 20 30 FGEDMO C=CCN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@H](C)COC ZINC000665899090 720839805 /nfs/dbraw/zinc/83/98/05/720839805.db2.gz CKKVTIGXULYAHO-MRXNPFEDSA-N 1 1 363.527 3.290 20 30 FGEDMO C=CCOc1c(Br)cc(CN[C@H]2CCC[NH2+]CC2)cc1OC ZINC000666855479 720991074 /nfs/dbraw/zinc/99/10/74/720991074.db2.gz UVYIMVMGHRTWBW-AWEZNQCLSA-N 1 1 369.303 3.254 20 30 FGEDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(C#N)cc1F)CC2 ZINC001164795352 721497641 /nfs/dbraw/zinc/49/76/41/721497641.db2.gz FWCLAEJMTRIOOV-UHFFFAOYSA-N 1 1 365.456 3.368 20 30 FGEDMO N#Cc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1Cl ZINC001164900004 721515218 /nfs/dbraw/zinc/51/52/18/721515218.db2.gz MZZYHFPPJUYQHN-GOEBONIOSA-N 1 1 372.831 3.088 20 30 FGEDMO Cc1cc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164906403 721527574 /nfs/dbraw/zinc/52/75/74/721527574.db2.gz KYTKTBRCDZSIFK-QUCCMNQESA-N 1 1 366.440 3.051 20 30 FGEDMO C#CCCN1CC[NH+](CCCc2ccc(Br)cc2OC)CC1 ZINC000784222541 724833965 /nfs/dbraw/zinc/83/39/65/724833965.db2.gz KSXVGDMNJLZKHM-UHFFFAOYSA-N 1 1 365.315 3.031 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000730271179 722466625 /nfs/dbraw/zinc/46/66/25/722466625.db2.gz NHIGLCBUNLZCQS-WBVHZDCISA-N 1 1 353.491 3.100 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000730271179 722466626 /nfs/dbraw/zinc/46/66/26/722466626.db2.gz NHIGLCBUNLZCQS-WBVHZDCISA-N 1 1 353.491 3.100 20 30 FGEDMO C=CC1CC[NH+](CN2C(=O)N[C@](CC)(c3ccc(Cl)cc3)C2=O)CC1 ZINC000732181339 722481904 /nfs/dbraw/zinc/48/19/04/722481904.db2.gz PUJWVZXJEWENCK-LJQANCHMSA-N 1 1 361.873 3.353 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000737827426 722527370 /nfs/dbraw/zinc/52/73/70/722527370.db2.gz SGAJTHZJKIQFMY-OAHLLOKOSA-N 1 1 352.400 3.052 20 30 FGEDMO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@@H+]1C ZINC000742195306 722553170 /nfs/dbraw/zinc/55/31/70/722553170.db2.gz CSDUMSMHDIBLIZ-OAHLLOKOSA-N 1 1 351.475 3.486 20 30 FGEDMO C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)CC[N@H+]1C ZINC000742195306 722553171 /nfs/dbraw/zinc/55/31/71/722553171.db2.gz CSDUMSMHDIBLIZ-OAHLLOKOSA-N 1 1 351.475 3.486 20 30 FGEDMO C=CCn1c(-c2ccco2)nn(CN2CC[C@H](C[N@H+](C)CC)C2)c1=S ZINC000743399972 722567022 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CCc1cc(Br)ccc1N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811647216 725375634 /nfs/dbraw/zinc/37/56/34/725375634.db2.gz BALDAZLMIHKTOK-UHFFFAOYSA-N 1 1 350.264 3.257 20 30 FGEDMO C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=[NH+]n1cc(Br)cn1 ZINC000811645200 725375710 /nfs/dbraw/zinc/37/57/10/725375710.db2.gz CQONLMGJHHKFKV-JTQLQIEISA-N 1 1 357.252 3.127 20 30 FGEDMO CN(C)c1cc(Cl)cc(Cl)c1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000811646251 725375714 /nfs/dbraw/zinc/37/57/14/725375714.db2.gz RVVMNEVQZZJYGX-ZIAGYGMSSA-N 1 1 354.285 3.253 20 30 FGEDMO CC(C)[N@H+](CCOCCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000815069702 727031139 /nfs/dbraw/zinc/03/11/39/727031139.db2.gz WOYGCHBDAFONBN-UHFFFAOYSA-N 1 1 357.376 3.285 20 30 FGEDMO CC(C)[N@@H+](CCOCCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000815069702 727031143 /nfs/dbraw/zinc/03/11/43/727031143.db2.gz WOYGCHBDAFONBN-UHFFFAOYSA-N 1 1 357.376 3.285 20 30 FGEDMO COc1ccc(Cl)cc1C#CCOC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000815249084 727057554 /nfs/dbraw/zinc/05/75/54/727057554.db2.gz 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ZINC000825190869 729374181 /nfs/dbraw/zinc/37/41/81/729374181.db2.gz YDFUDDUUDWBEHB-GOSISDBHSA-N 1 1 351.475 3.397 20 30 FGEDMO C#C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)C1CCOCC1 ZINC000827565280 729431831 /nfs/dbraw/zinc/43/18/31/729431831.db2.gz KNMASUYBDYZLSJ-KRWDZBQOSA-N 1 1 365.264 3.092 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)cc1C ZINC000831773002 729666770 /nfs/dbraw/zinc/66/67/70/729666770.db2.gz GCXOZASIPWUMSM-LJQANCHMSA-N 1 1 357.523 3.378 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@@H]2C2CC2)cc1C ZINC000831773002 729666773 /nfs/dbraw/zinc/66/67/73/729666773.db2.gz GCXOZASIPWUMSM-LJQANCHMSA-N 1 1 357.523 3.378 20 30 FGEDMO CCC#C[C@H](C)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832030817 729683838 /nfs/dbraw/zinc/68/38/38/729683838.db2.gz RHCHMCOQUGDAEG-DLBZAZTESA-N 1 1 350.503 3.042 20 30 FGEDMO C#CC1CC[NH+](Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000843426601 730619996 /nfs/dbraw/zinc/61/99/96/730619996.db2.gz BTOBQKQKHRLFHE-UHFFFAOYSA-N 1 1 361.511 3.282 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365666 730707989 /nfs/dbraw/zinc/70/79/89/730707989.db2.gz CVCZNLOAVVXXEP-FZKQIMNGSA-N 1 1 357.841 3.204 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844365666 730707993 /nfs/dbraw/zinc/70/79/93/730707993.db2.gz CVCZNLOAVVXXEP-FZKQIMNGSA-N 1 1 357.841 3.204 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCC#N)C1 ZINC000844461551 730721988 /nfs/dbraw/zinc/72/19/88/730721988.db2.gz KLVIWMQCAWDSQO-IKGGRYGDSA-N 1 1 351.491 3.217 20 30 FGEDMO C[NH+](C)[C@H](C(=O)NCc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000847430824 731054655 /nfs/dbraw/zinc/05/46/55/731054655.db2.gz NTDINQTYXOSMTH-SFHVURJKSA-N 1 1 357.841 3.161 20 30 FGEDMO CCOP(=O)(OCC)[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000851794098 731499322 /nfs/dbraw/zinc/49/93/22/731499322.db2.gz OQYIGKSGJAIDDN-KSZLIROESA-N 1 1 366.398 3.343 20 30 FGEDMO C#CCOCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000852160546 731550457 /nfs/dbraw/zinc/55/04/57/731550457.db2.gz FAWNTUUWSJSSCC-MSOLQXFVSA-N 1 1 350.503 3.138 20 30 FGEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1noc(CNC(=O)OC(C)(C)C)n1 ZINC000852303528 731567264 /nfs/dbraw/zinc/56/72/64/731567264.db2.gz RTQPKCIXKLRKLG-UONOGXRCSA-N 1 1 350.463 3.319 20 30 FGEDMO C=C(Br)C[NH2+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000852452601 731585084 /nfs/dbraw/zinc/58/50/84/731585084.db2.gz CLBIEERDKXDTKU-NSHDSACASA-N 1 1 363.177 3.005 20 30 FGEDMO C#CCC[N@H+](CCOC)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000852752972 731630063 /nfs/dbraw/zinc/63/00/63/731630063.db2.gz SHMQLGZWAXWZNN-ZDUSSCGKSA-N 1 1 357.281 3.142 20 30 FGEDMO C#CCC[N@@H+](CCOC)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000852752972 731630060 /nfs/dbraw/zinc/63/00/60/731630060.db2.gz SHMQLGZWAXWZNN-ZDUSSCGKSA-N 1 1 357.281 3.142 20 30 FGEDMO CCc1nc(C#N)cc(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)n1 ZINC000853244047 731687087 /nfs/dbraw/zinc/68/70/87/731687087.db2.gz BBMPONQUUCOLJG-UHFFFAOYSA-N 1 1 356.861 3.059 20 30 FGEDMO C#CCC[N@@H+](CCOC)Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 ZINC000853619683 731733041 /nfs/dbraw/zinc/73/30/41/731733041.db2.gz HLRGMLNVNWAAIF-UHFFFAOYSA-N 1 1 367.280 3.490 20 30 FGEDMO C#CCC[N@H+](CCOC)Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 ZINC000853619683 731733044 /nfs/dbraw/zinc/73/30/44/731733044.db2.gz HLRGMLNVNWAAIF-UHFFFAOYSA-N 1 1 367.280 3.490 20 30 FGEDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCC[C@@H]21 ZINC000859952150 732421863 /nfs/dbraw/zinc/42/18/63/732421863.db2.gz SQGVNOUSRLHUSH-BRWVUGGUSA-N 1 1 362.857 3.406 20 30 FGEDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCC[C@@H]21 ZINC000859952150 732421865 /nfs/dbraw/zinc/42/18/65/732421865.db2.gz SQGVNOUSRLHUSH-BRWVUGGUSA-N 1 1 362.857 3.406 20 30 FGEDMO N#CCSCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000859959918 732424273 /nfs/dbraw/zinc/42/42/73/732424273.db2.gz BFCIIKLDSBZWMH-RBUKOAKNSA-N 1 1 358.507 3.335 20 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C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCc1ccccc1Cl ZINC001038265054 766269649 /nfs/dbraw/zinc/26/96/49/766269649.db2.gz CBBVTRAOWOQSSJ-SCTDSRPQSA-N 1 1 362.901 3.054 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCc1ccccc1Cl ZINC001038265054 766269654 /nfs/dbraw/zinc/26/96/54/766269654.db2.gz CBBVTRAOWOQSSJ-SCTDSRPQSA-N 1 1 362.901 3.054 20 30 FGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001038885401 766290128 /nfs/dbraw/zinc/29/01/28/766290128.db2.gz CPILONFTAVHOPU-QLFBSQMISA-N 1 1 352.400 3.364 20 30 FGEDMO C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001039388929 766294896 /nfs/dbraw/zinc/29/48/96/766294896.db2.gz QYBUZYQCTVTSCH-YYIAUSFCSA-N 1 1 356.432 3.444 20 30 FGEDMO C=C(Br)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC001041654374 766333683 /nfs/dbraw/zinc/33/36/83/766333683.db2.gz ZPHYHDPMLFCDJH-BFYDXBDKSA-N 1 1 355.320 3.256 20 30 FGEDMO C=C(Br)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC001041654374 766333675 /nfs/dbraw/zinc/33/36/75/766333675.db2.gz ZPHYHDPMLFCDJH-BFYDXBDKSA-N 1 1 355.320 3.256 20 30 FGEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001051154011 766877816 /nfs/dbraw/zinc/87/78/16/766877816.db2.gz REESVKKOHKQDLG-CEXWTWQISA-N 1 1 362.901 3.227 20 30 FGEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001051154011 766877825 /nfs/dbraw/zinc/87/78/25/766877825.db2.gz REESVKKOHKQDLG-CEXWTWQISA-N 1 1 362.901 3.227 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001052388444 766897956 /nfs/dbraw/zinc/89/79/56/766897956.db2.gz HOGRYCMVJDQESE-UHOSZYNNSA-N 1 1 362.539 3.243 20 30 FGEDMO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1ccc(C)s1)C2 ZINC001054213152 767002819 /nfs/dbraw/zinc/00/28/19/767002819.db2.gz UMVXSJJFKXBNKO-OPYAIIAOSA-N 1 1 356.535 3.498 20 30 FGEDMO C[C@@H]1C[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H](C)O1 ZINC000016443380 207587037 /nfs/dbraw/zinc/58/70/37/207587037.db2.gz HFLGBUYJFKSOOO-ZIAGYGMSSA-N 1 1 361.511 3.326 20 30 FGEDMO CC(=O)c1ccc(C#N)c(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000302101459 257383868 /nfs/dbraw/zinc/38/38/68/257383868.db2.gz LLBJNTMZORXYQW-KRWDZBQOSA-N 1 1 362.477 3.383 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000576690347 505571712 /nfs/dbraw/zinc/57/17/12/505571712.db2.gz FLVVIBHHRHLXFF-WOJBJXKFSA-N 1 1 355.482 3.116 20 30 FGEDMO COCC[C@@](C)(C#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000573601190 505576199 /nfs/dbraw/zinc/57/61/99/505576199.db2.gz FPPCOGKCOVHACP-QFIPXVFZSA-N 1 1 365.477 3.124 20 30 FGEDMO Cc1nsc(N2CC[NH+](CC[C@@H](C)OCc3ccccc3)CC2)c1C#N ZINC000573610886 505578291 /nfs/dbraw/zinc/57/82/91/505578291.db2.gz UOAWINYZBSVNDI-MRXNPFEDSA-N 1 1 370.522 3.441 20 30 FGEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000576894444 505618434 /nfs/dbraw/zinc/61/84/34/505618434.db2.gz MHYLHFGOWRSKON-CLCXKQKWSA-N 1 1 354.425 3.445 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000576963597 505634639 /nfs/dbraw/zinc/63/46/39/505634639.db2.gz QKBKEXNHPIWQAH-QHCPKHFHSA-N 1 1 372.472 3.290 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000576963597 505634643 /nfs/dbraw/zinc/63/46/43/505634643.db2.gz QKBKEXNHPIWQAH-QHCPKHFHSA-N 1 1 372.472 3.290 20 30 FGEDMO CC[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000576981516 505637782 /nfs/dbraw/zinc/63/77/82/505637782.db2.gz PCMQIMOVFSHBQL-HZPDHXFCSA-N 1 1 360.527 3.045 20 30 FGEDMO COc1cc(OC)cc(C2(F)CC[NH+](Cc3ccc(C#N)cn3)CC2)c1 ZINC000571104419 505655047 /nfs/dbraw/zinc/65/50/47/505655047.db2.gz PIXJNBVTQSGXDL-UHFFFAOYSA-N 1 1 355.413 3.431 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](C3CCC3)C2)sc2c1CCCC2 ZINC000577074084 505658607 /nfs/dbraw/zinc/65/86/07/505658607.db2.gz UNUUUXMCVOUMMB-QGZVFWFLSA-N 1 1 373.522 3.328 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](C3CCC3)C2)sc2c1CCCC2 ZINC000577074084 505658612 /nfs/dbraw/zinc/65/86/12/505658612.db2.gz UNUUUXMCVOUMMB-QGZVFWFLSA-N 1 1 373.522 3.328 20 30 FGEDMO CC(C)N(C(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)C1CCCC1 ZINC000568322025 505665811 /nfs/dbraw/zinc/66/58/11/505665811.db2.gz LSDIQHQXHGFZAJ-UHFFFAOYSA-N 1 1 357.498 3.186 20 30 FGEDMO CC(C)N(C(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)C1CCCC1 ZINC000568322025 505665813 /nfs/dbraw/zinc/66/58/13/505665813.db2.gz LSDIQHQXHGFZAJ-UHFFFAOYSA-N 1 1 357.498 3.186 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cccc(O)c1 ZINC000080923704 493792029 /nfs/dbraw/zinc/79/20/29/493792029.db2.gz SLBMZFGFENQYBT-OAHLLOKOSA-N 1 1 355.413 3.298 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cccc(O)c1 ZINC000080923704 493792032 /nfs/dbraw/zinc/79/20/32/493792032.db2.gz SLBMZFGFENQYBT-OAHLLOKOSA-N 1 1 355.413 3.298 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000048358321 493820015 /nfs/dbraw/zinc/82/00/15/493820015.db2.gz XZIABHYOJUOLHW-IRXDYDNUSA-N 1 1 363.461 3.097 20 30 FGEDMO C[C@H](CNC(=O)Nc1cccc(OCC#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000048516128 493834923 /nfs/dbraw/zinc/83/49/23/493834923.db2.gz WFXJHQAPZAMVQB-CQSZACIVSA-N 1 1 370.478 3.219 20 30 FGEDMO C[C@H](CNC(=O)Nc1cccc(OCC#N)c1)[N@H+]1CCc2sccc2C1 ZINC000048516128 493834928 /nfs/dbraw/zinc/83/49/28/493834928.db2.gz WFXJHQAPZAMVQB-CQSZACIVSA-N 1 1 370.478 3.219 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000048565475 493837508 /nfs/dbraw/zinc/83/75/08/493837508.db2.gz XNYVQUOZRLXVAY-UHFFFAOYSA-N 1 1 367.424 3.276 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000048565475 493837512 /nfs/dbraw/zinc/83/75/12/493837512.db2.gz XNYVQUOZRLXVAY-UHFFFAOYSA-N 1 1 367.424 3.276 20 30 FGEDMO C=CC[N@@H+](Cc1c(C)nsc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000577189048 505683554 /nfs/dbraw/zinc/68/35/54/505683554.db2.gz RTLKBKRLUUXBJF-CQSZACIVSA-N 1 1 354.483 3.485 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000081362727 493879169 /nfs/dbraw/zinc/87/91/69/493879169.db2.gz KPROTOZXITYDSA-FXAWDEMLSA-N 1 1 357.498 3.152 20 30 FGEDMO CCO[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000076408751 493886961 /nfs/dbraw/zinc/88/69/61/493886961.db2.gz HDBTZQWMOUSJPA-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000081729555 493947786 /nfs/dbraw/zinc/94/77/86/493947786.db2.gz XZBJRZQOHDFNNV-PMACEKPBSA-N 1 1 362.477 3.166 20 30 FGEDMO C=CCc1cc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc(OC)c1OC ZINC000051467729 493971659 /nfs/dbraw/zinc/97/16/59/493971659.db2.gz GZWOOSWAWYSQLY-FQEVSTJZSA-N 1 1 368.477 3.351 20 30 FGEDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000076912233 493986553 /nfs/dbraw/zinc/98/65/53/493986553.db2.gz NJDIOVVMNDIJAQ-CQSZACIVSA-N 1 1 357.404 3.488 20 30 FGEDMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000076912233 493986556 /nfs/dbraw/zinc/98/65/56/493986556.db2.gz NJDIOVVMNDIJAQ-CQSZACIVSA-N 1 1 357.404 3.488 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCSC3(CCCCC3)C2)C1=O ZINC000083243523 494012962 /nfs/dbraw/zinc/01/29/62/494012962.db2.gz RPKVATFWIGKINH-OAHLLOKOSA-N 1 1 361.536 3.477 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCSC3(CCCCC3)C2)C1=O ZINC000083243523 494012968 /nfs/dbraw/zinc/01/29/68/494012968.db2.gz RPKVATFWIGKINH-OAHLLOKOSA-N 1 1 361.536 3.477 20 30 FGEDMO C=C(Br)C[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000052441443 494026342 /nfs/dbraw/zinc/02/63/42/494026342.db2.gz UVQBJHSPNSYMMY-UHFFFAOYSA-N 1 1 369.278 3.371 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000052458042 494028145 /nfs/dbraw/zinc/02/81/45/494028145.db2.gz UNKPUIGBGVITCO-SFHVURJKSA-N 1 1 351.878 3.095 20 30 FGEDMO N#Cc1nnc2ccccc2c1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000077217328 494035446 /nfs/dbraw/zinc/03/54/46/494035446.db2.gz XRBIZSFGGZMEAF-SFHVURJKSA-N 1 1 357.461 3.478 20 30 FGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc(C)cc1 ZINC000063288142 494040283 /nfs/dbraw/zinc/04/02/83/494040283.db2.gz VFRDVFVKSFFENM-LJQANCHMSA-N 1 1 356.422 3.331 20 30 FGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccc(C)cc1 ZINC000063288142 494040284 /nfs/dbraw/zinc/04/02/84/494040284.db2.gz VFRDVFVKSFFENM-LJQANCHMSA-N 1 1 356.422 3.331 20 30 FGEDMO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000052580454 494041556 /nfs/dbraw/zinc/04/15/56/494041556.db2.gz QAXDNURXILMJIS-AWEZNQCLSA-N 1 1 357.404 3.016 20 30 FGEDMO C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000052580454 494041558 /nfs/dbraw/zinc/04/15/58/494041558.db2.gz QAXDNURXILMJIS-AWEZNQCLSA-N 1 1 357.404 3.016 20 30 FGEDMO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000571276360 505696588 /nfs/dbraw/zinc/69/65/88/505696588.db2.gz JKOPZSKDSBMKIP-UHFFFAOYSA-N 1 1 369.513 3.450 20 30 FGEDMO C=CCC[C@@H](O)C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000034367300 494065502 /nfs/dbraw/zinc/06/55/02/494065502.db2.gz VZZQNRVUFWJYJB-CYBMUJFWSA-N 1 1 363.811 3.203 20 30 FGEDMO CC(C)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000063751252 494082734 /nfs/dbraw/zinc/08/27/34/494082734.db2.gz LPISEGQUKOEETP-UHFFFAOYSA-N 1 1 352.394 3.316 20 30 FGEDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000063751252 494082739 /nfs/dbraw/zinc/08/27/39/494082739.db2.gz LPISEGQUKOEETP-UHFFFAOYSA-N 1 1 352.394 3.316 20 30 FGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000053055761 494088294 /nfs/dbraw/zinc/08/82/94/494088294.db2.gz LPQDCCZQWKIHFK-UHFFFAOYSA-N 1 1 365.477 3.466 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)c1 ZINC000077497689 494096949 /nfs/dbraw/zinc/09/69/49/494096949.db2.gz APFDBGDYROAEOE-UHFFFAOYSA-N 1 1 352.413 3.356 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1 ZINC000071826343 494103606 /nfs/dbraw/zinc/10/36/06/494103606.db2.gz RDRQWFUSGZHAJI-UHFFFAOYSA-N 1 1 367.880 3.489 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3F)CC2)cc1 ZINC000087026780 494163319 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495195954 /nfs/dbraw/zinc/19/59/54/495195954.db2.gz XWTLDVYLHXJNSQ-KSSFIOAISA-N 1 1 372.831 3.169 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123842215 495195955 /nfs/dbraw/zinc/19/59/55/495195955.db2.gz XWTLDVYLHXJNSQ-KSSFIOAISA-N 1 1 372.831 3.169 20 30 FGEDMO C[C@@H]1CCC[N@H+]1C1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000134756027 495196198 /nfs/dbraw/zinc/19/61/98/495196198.db2.gz FLVZWUISZGYIBZ-OAHLLOKOSA-N 1 1 351.454 3.057 20 30 FGEDMO CC(C)[C@H](CO)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000112658471 495218378 /nfs/dbraw/zinc/21/83/78/495218378.db2.gz KWHDOPQCMUASGG-NRFANRHFSA-N 1 1 365.477 3.406 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000134958631 495231230 /nfs/dbraw/zinc/23/12/30/495231230.db2.gz GBJPZVGTAVWDIT-UHFFFAOYSA-N 1 1 365.477 3.283 20 30 FGEDMO COc1ccc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1C#N ZINC000135105016 495251706 /nfs/dbraw/zinc/25/17/06/495251706.db2.gz QHWVWJPELHVICN-UHFFFAOYSA-N 1 1 363.417 3.082 20 30 FGEDMO COc1ccc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)cc1C#N ZINC000135105016 495251708 /nfs/dbraw/zinc/25/17/08/495251708.db2.gz QHWVWJPELHVICN-UHFFFAOYSA-N 1 1 363.417 3.082 20 30 FGEDMO C[N@@H+](CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)[C@@H]1CCSC1 ZINC000119865208 495257691 /nfs/dbraw/zinc/25/76/91/495257691.db2.gz JPBNUKXWNRTQQE-BXUZGUMPSA-N 1 1 358.294 3.112 20 30 FGEDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000112986129 495264233 /nfs/dbraw/zinc/26/42/33/495264233.db2.gz AFEPFYHKKZBYJS-CVEARBPZSA-N 1 1 361.511 3.235 20 30 FGEDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000112986129 495264236 /nfs/dbraw/zinc/26/42/36/495264236.db2.gz AFEPFYHKKZBYJS-CVEARBPZSA-N 1 1 361.511 3.235 20 30 FGEDMO CC(C)CO[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000124504876 495298023 /nfs/dbraw/zinc/29/80/23/495298023.db2.gz WCONOUXBZPBYSS-SFHVURJKSA-N 1 1 363.889 3.334 20 30 FGEDMO CC(C)CO[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000124504876 495298027 /nfs/dbraw/zinc/29/80/27/495298027.db2.gz WCONOUXBZPBYSS-SFHVURJKSA-N 1 1 363.889 3.334 20 30 FGEDMO CC[N@@H+]1CCCC[C@H]1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000113341011 495298114 /nfs/dbraw/zinc/29/81/14/495298114.db2.gz IPQJSSLWHOQFOR-FQEVSTJZSA-N 1 1 351.498 3.428 20 30 FGEDMO CC[N@H+]1CCCC[C@H]1CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000113341011 495298116 /nfs/dbraw/zinc/29/81/16/495298116.db2.gz IPQJSSLWHOQFOR-FQEVSTJZSA-N 1 1 351.498 3.428 20 30 FGEDMO Cc1[nH+]ccn1CCCCNC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000130140157 495347136 /nfs/dbraw/zinc/34/71/36/495347136.db2.gz HMEVUKWJCXIHDH-LJQANCHMSA-N 1 1 354.454 3.063 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)s1 ZINC000120418914 495373447 /nfs/dbraw/zinc/37/34/47/495373447.db2.gz WYMKRNXPFSYGQR-UHFFFAOYSA-N 1 1 357.454 3.036 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)s1 ZINC000120418914 495373450 /nfs/dbraw/zinc/37/34/50/495373450.db2.gz WYMKRNXPFSYGQR-UHFFFAOYSA-N 1 1 357.454 3.036 20 30 FGEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000120537940 495400027 /nfs/dbraw/zinc/40/00/27/495400027.db2.gz GNBAPAPEFUBMAY-UHFFFAOYSA-N 1 1 351.450 3.035 20 30 FGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000120537940 495400030 /nfs/dbraw/zinc/40/00/30/495400030.db2.gz GNBAPAPEFUBMAY-UHFFFAOYSA-N 1 1 351.450 3.035 20 30 FGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000120536033 495400537 /nfs/dbraw/zinc/40/05/37/495400537.db2.gz FCQICCQXPPVPPD-UHFFFAOYSA-N 1 1 351.450 3.035 20 30 FGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000130783945 495445191 /nfs/dbraw/zinc/44/51/91/495445191.db2.gz HFZRTLLMYOWSFY-UHFFFAOYSA-N 1 1 371.506 3.219 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000130870522 495459153 /nfs/dbraw/zinc/45/91/53/495459153.db2.gz QZOYPUIYUGIQLD-HKUYNNGSSA-N 1 1 369.852 3.418 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@@H]1c1ccc(Cl)cc1 ZINC000130870522 495459156 /nfs/dbraw/zinc/45/91/56/495459156.db2.gz QZOYPUIYUGIQLD-HKUYNNGSSA-N 1 1 369.852 3.418 20 30 FGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000125728891 495489244 /nfs/dbraw/zinc/48/92/44/495489244.db2.gz YUINIBJNVADUCI-UHFFFAOYSA-N 1 1 370.449 3.233 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115321335 495490194 /nfs/dbraw/zinc/49/01/94/495490194.db2.gz BUBCCYHTDKODFC-HXUWFJFHSA-N 1 1 363.461 3.351 20 30 FGEDMO CC(C)[NH+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000115329567 495491244 /nfs/dbraw/zinc/49/12/44/495491244.db2.gz MIEUUDWZCTZBAX-UHFFFAOYSA-N 1 1 363.461 3.303 20 30 FGEDMO COC(=O)COc1c(C)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000131207437 495507012 /nfs/dbraw/zinc/50/70/12/495507012.db2.gz WKCKVBCMAWMDDJ-UHFFFAOYSA-N 1 1 352.434 3.359 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115558465 495516484 /nfs/dbraw/zinc/51/64/84/495516484.db2.gz BOMGVCMVULWBGL-MRXNPFEDSA-N 1 1 373.472 3.400 20 30 FGEDMO CCCN(C(=O)c1ccc(C#N)cn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000107470086 495528067 /nfs/dbraw/zinc/52/80/67/495528067.db2.gz GJBXGBCRZXXQAC-FQEVSTJZSA-N 1 1 362.477 3.470 20 30 FGEDMO C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)CC1 ZINC000176201214 495543171 /nfs/dbraw/zinc/54/31/71/495543171.db2.gz WXQMSXXGEGXYLV-NRFANRHFSA-N 1 1 366.505 3.376 20 30 FGEDMO C=CCSCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000176242446 495560552 /nfs/dbraw/zinc/56/05/52/495560552.db2.gz WOOVLTNQTFXEAT-GOEBONIOSA-N 1 1 353.557 3.349 20 30 FGEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000170763717 495594625 /nfs/dbraw/zinc/59/46/25/495594625.db2.gz VWHKIEDFIORRNK-RHSMWYFYSA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000170763717 495594628 /nfs/dbraw/zinc/59/46/28/495594628.db2.gz VWHKIEDFIORRNK-RHSMWYFYSA-N 1 1 355.463 3.410 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000150135932 495606484 /nfs/dbraw/zinc/60/64/84/495606484.db2.gz KKLHUTGCVKBKMO-SFHVURJKSA-N 1 1 365.433 3.049 20 30 FGEDMO C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182601233 495631951 /nfs/dbraw/zinc/63/19/51/495631951.db2.gz AJWZPIQIHIDNAW-WMZOPIPTSA-N 1 1 370.497 3.041 20 30 FGEDMO CC(C)c1[nH+]ccn1CCC(=O)NCCSCc1ccccc1C#N ZINC000173680086 495646512 /nfs/dbraw/zinc/64/65/12/495646512.db2.gz RJEIXFBXJGKOST-UHFFFAOYSA-N 1 1 356.495 3.318 20 30 FGEDMO COc1cccc2c1CC[N@@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000182701718 495669088 /nfs/dbraw/zinc/66/90/88/495669088.db2.gz OYPGHLJYZDTSLK-FQEVSTJZSA-N 1 1 361.445 3.121 20 30 FGEDMO COc1cccc2c1CC[N@H+]([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000182701718 495669092 /nfs/dbraw/zinc/66/90/92/495669092.db2.gz OYPGHLJYZDTSLK-FQEVSTJZSA-N 1 1 361.445 3.121 20 30 FGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1nnc(-c3ccc(C#N)cc3)o1)C2 ZINC000173930741 495752154 /nfs/dbraw/zinc/75/21/54/495752154.db2.gz JAYLSPDPBJLOIC-ZWKOTPCHSA-N 1 1 351.454 3.055 20 30 FGEDMO C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000173995359 495780186 /nfs/dbraw/zinc/78/01/86/495780186.db2.gz JQFPRBHMZZULGG-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000186024222 495824593 /nfs/dbraw/zinc/82/45/93/495824593.db2.gz MNIAXOWHAZWTBT-APWZRJJASA-N 1 1 358.449 3.386 20 30 FGEDMO CN(C)c1cccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000159874317 495828562 /nfs/dbraw/zinc/82/85/62/495828562.db2.gz OKPKVSCTERWLTP-UHFFFAOYSA-N 1 1 356.857 3.348 20 30 FGEDMO CN(C)c1cccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000159874317 495828566 /nfs/dbraw/zinc/82/85/66/495828566.db2.gz OKPKVSCTERWLTP-UHFFFAOYSA-N 1 1 356.857 3.348 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1C#N ZINC000183175645 495868052 /nfs/dbraw/zinc/86/80/52/495868052.db2.gz LDJKXUWPPGHIKD-SJORKVTESA-N 1 1 372.513 3.123 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1C#N ZINC000183175645 495868057 /nfs/dbraw/zinc/86/80/57/495868057.db2.gz LDJKXUWPPGHIKD-SJORKVTESA-N 1 1 372.513 3.123 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1C#N ZINC000183175667 495868676 /nfs/dbraw/zinc/86/86/76/495868676.db2.gz LDJKXUWPPGHIKD-IAGOWNOFSA-N 1 1 372.513 3.123 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1C#N ZINC000183175667 495868681 /nfs/dbraw/zinc/86/86/81/495868681.db2.gz LDJKXUWPPGHIKD-IAGOWNOFSA-N 1 1 372.513 3.123 20 30 FGEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000174520663 495993193 /nfs/dbraw/zinc/99/31/93/495993193.db2.gz JMGHRURVWVHKCS-INIZCTEOSA-N 1 1 367.449 3.144 20 30 FGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000177303633 496011295 /nfs/dbraw/zinc/01/12/95/496011295.db2.gz QQYKCCWHALNCOK-MSOLQXFVSA-N 1 1 364.493 3.296 20 30 FGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000177308165 496014028 /nfs/dbraw/zinc/01/40/28/496014028.db2.gz JVVZTLDDJVYIEO-UXHICEINSA-N 1 1 368.525 3.109 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CNc2cccc(C#N)c2)C1 ZINC000160692953 496022082 /nfs/dbraw/zinc/02/20/82/496022082.db2.gz INKKHCMTPBJCLY-MJGOQNOKSA-N 1 1 354.498 3.083 20 30 FGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160697683 496022337 /nfs/dbraw/zinc/02/23/37/496022337.db2.gz JKUZCVAQOIYZQN-HOTGVXAUSA-N 1 1 357.433 3.103 20 30 FGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160697683 496022341 /nfs/dbraw/zinc/02/23/41/496022341.db2.gz JKUZCVAQOIYZQN-HOTGVXAUSA-N 1 1 357.433 3.103 20 30 FGEDMO CC[N@@H+](CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000152075660 496041027 /nfs/dbraw/zinc/04/10/27/496041027.db2.gz GDQRIYRAEMUYPR-OAQYLSRUSA-N 1 1 363.461 3.431 20 30 FGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160779470 496041384 /nfs/dbraw/zinc/04/13/84/496041384.db2.gz QWVSUVHRXCEGKP-SFHVURJKSA-N 1 1 357.498 3.410 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180556907 496043205 /nfs/dbraw/zinc/04/32/05/496043205.db2.gz LUFDNIABECKZKI-DOMZBBRYSA-N 1 1 359.367 3.417 20 30 FGEDMO CCC[N@@H+](CC)CCNC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000174663644 496051590 /nfs/dbraw/zinc/05/15/90/496051590.db2.gz YCPBUIYHUATHOA-UHFFFAOYSA-N 1 1 355.438 3.192 20 30 FGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000155811534 496077107 /nfs/dbraw/zinc/07/71/07/496077107.db2.gz WVEPZKNABLIJJH-QGZVFWFLSA-N 1 1 367.415 3.039 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174794069 496109513 /nfs/dbraw/zinc/10/95/13/496109513.db2.gz UXWCYISJGIFFEI-SJORKVTESA-N 1 1 356.470 3.436 20 30 FGEDMO C[C@@H](CN1CCCCCC1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000186737803 496128872 /nfs/dbraw/zinc/12/88/72/496128872.db2.gz QLVVDXHXTGKRLZ-IBGZPJMESA-N 1 1 354.542 3.377 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2C)[C@H](C)C1 ZINC000172113069 496170899 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20 30 FGEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178059340 496309563 /nfs/dbraw/zinc/30/95/63/496309563.db2.gz WEFDZZHTUOJFHI-SFHVURJKSA-N 1 1 363.461 3.079 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000156770829 496330329 /nfs/dbraw/zinc/33/03/29/496330329.db2.gz YCUGDZKKMLBPGS-SFHVURJKSA-N 1 1 372.465 3.036 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000156770829 496330332 /nfs/dbraw/zinc/33/03/32/496330332.db2.gz YCUGDZKKMLBPGS-SFHVURJKSA-N 1 1 372.465 3.036 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000172647059 496373785 /nfs/dbraw/zinc/37/37/85/496373785.db2.gz QMSDLZHXQPKZDE-UHFFFAOYSA-N 1 1 368.433 3.021 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000172647059 496373787 /nfs/dbraw/zinc/37/37/87/496373787.db2.gz QMSDLZHXQPKZDE-UHFFFAOYSA-N 1 1 368.433 3.021 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1C ZINC000181443747 496397513 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497481974 /nfs/dbraw/zinc/48/19/74/497481974.db2.gz UOIFAUNVBKKVFF-RBUKOAKNSA-N 1 1 368.868 3.456 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000245633219 497481976 /nfs/dbraw/zinc/48/19/76/497481976.db2.gz UOIFAUNVBKKVFF-RBUKOAKNSA-N 1 1 368.868 3.456 20 30 FGEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@]2(C#N)CC2(C)C)C1 ZINC000572187640 505910255 /nfs/dbraw/zinc/91/02/55/505910255.db2.gz LWRPGKFGCOLOAE-QFIPXVFZSA-N 1 1 364.493 3.216 20 30 FGEDMO C#CCCCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245676838 497498728 /nfs/dbraw/zinc/49/87/28/497498728.db2.gz JERWRBZZUSZLPT-RHSMWYFYSA-N 1 1 351.853 3.185 20 30 FGEDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975766 497501785 /nfs/dbraw/zinc/50/17/85/497501785.db2.gz VMUXVZVULJTQSO-SAWYMBPVSA-N 1 1 367.468 3.231 20 30 FGEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975766 497501791 /nfs/dbraw/zinc/50/17/91/497501791.db2.gz VMUXVZVULJTQSO-SAWYMBPVSA-N 1 1 367.468 3.231 20 30 FGEDMO C#CCC[NH+]1CCN([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000272052817 497523487 /nfs/dbraw/zinc/52/34/87/497523487.db2.gz UXSCBAIPZZTXMX-MOPGFXCFSA-N 1 1 363.505 3.046 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C1 ZINC000246037343 497601311 /nfs/dbraw/zinc/60/13/11/497601311.db2.gz OLWODQLDMJFHNX-WFASDCNBSA-N 1 1 366.412 3.354 20 30 FGEDMO CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000246207874 497660865 /nfs/dbraw/zinc/66/08/65/497660865.db2.gz NKVZDPDHAKLKKL-HUUCEWRRSA-N 1 1 374.554 3.099 20 30 FGEDMO CC1(C#N)CC[NH+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000272615308 497679927 /nfs/dbraw/zinc/67/99/27/497679927.db2.gz TVQLBZNCGJMIAI-MRXNPFEDSA-N 1 1 363.408 3.409 20 30 FGEDMO C[C@H](NC(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000272631897 497684102 /nfs/dbraw/zinc/68/41/02/497684102.db2.gz WIYITSJXDLCCLT-ZDUSSCGKSA-N 1 1 369.387 3.388 20 30 FGEDMO COc1ccccc1COC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194539517 497698903 /nfs/dbraw/zinc/69/89/03/497698903.db2.gz AWRYIEMNOUNTAQ-OAQYLSRUSA-N 1 1 366.461 3.109 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000246336637 497700121 /nfs/dbraw/zinc/70/01/21/497700121.db2.gz IOVOTUOQAYOEQO-UYAOXDASSA-N 1 1 369.509 3.244 20 30 FGEDMO Cc1nsc(N2CC[NH+](CCCCOc3ccccc3)CC2)c1C#N ZINC000578373045 505925147 /nfs/dbraw/zinc/92/51/47/505925147.db2.gz RXVOFVHRTITGJX-UHFFFAOYSA-N 1 1 356.495 3.304 20 30 FGEDMO N#CCOc1ccc(C[NH2+][C@@H](CO)c2ccccc2OC(F)(F)F)cc1 ZINC000280344178 497725710 /nfs/dbraw/zinc/72/57/10/497725710.db2.gz IOHRHLDJFUKISJ-INIZCTEOSA-N 1 1 366.339 3.311 20 30 FGEDMO N#CC1CCN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194673991 497735404 /nfs/dbraw/zinc/73/54/04/497735404.db2.gz UXYXLUWKFHFVCO-GOSISDBHSA-N 1 1 365.399 3.203 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246450599 497738419 /nfs/dbraw/zinc/73/84/19/497738419.db2.gz LLHFGIFFBCIPGT-KSSFIOAISA-N 1 1 355.463 3.410 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H](c2ccsc2)O1 ZINC000246450599 497738421 /nfs/dbraw/zinc/73/84/21/497738421.db2.gz LLHFGIFFBCIPGT-KSSFIOAISA-N 1 1 355.463 3.410 20 30 FGEDMO N#Cc1ccc(CC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000194763174 497764162 /nfs/dbraw/zinc/76/41/62/497764162.db2.gz ZZNSTYOSYVHEJS-UHFFFAOYSA-N 1 1 351.475 3.288 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000272933493 497764401 /nfs/dbraw/zinc/76/44/01/497764401.db2.gz KFKNKSNDZLFUOU-QYZOEREBSA-N 1 1 371.481 3.065 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000246731612 497805356 /nfs/dbraw/zinc/80/53/56/497805356.db2.gz MCRMXMONPIBUPX-YWZLYKJASA-N 1 1 367.424 3.488 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000246731612 497805359 /nfs/dbraw/zinc/80/53/59/497805359.db2.gz MCRMXMONPIBUPX-YWZLYKJASA-N 1 1 367.424 3.488 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000246903585 497819457 /nfs/dbraw/zinc/81/94/57/497819457.db2.gz RNBCFOUWDJCTER-BFYDXBDKSA-N 1 1 361.511 3.112 20 30 FGEDMO Cc1nnc([C@H](C)NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000329559041 497828807 /nfs/dbraw/zinc/82/88/07/497828807.db2.gz IHKBUDUJBTWHHB-OFQRWUPVSA-N 1 1 365.547 3.408 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](c4ccncc4)C3)C2=O)cc1 ZINC000329593740 497839122 /nfs/dbraw/zinc/83/91/22/497839122.db2.gz OMDIRPJZHIEIHW-FPOVZHCZSA-N 1 1 360.461 3.328 20 30 FGEDMO Cc1cccc([C@@H]2CC[N@H+](CC(=O)N[C@@H](C)C(=O)N3CCCCC3)C2)c1 ZINC000329608767 497844172 /nfs/dbraw/zinc/84/41/72/497844172.db2.gz BSNKITPMSQTXER-PKOBYXMFSA-N 1 1 357.498 3.142 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC[N@H+]1Cc1ccccc1 ZINC000329679243 497865542 /nfs/dbraw/zinc/86/55/42/497865542.db2.gz XHQADVXRACMHHW-QXCFHYIPSA-N 1 1 370.497 3.004 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](CCO)C2)C1 ZINC000329693808 497871777 /nfs/dbraw/zinc/87/17/77/497871777.db2.gz FETBWDIVTBNWNN-QZTJIDSGSA-N 1 1 359.514 3.037 20 30 FGEDMO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000329704663 497874739 /nfs/dbraw/zinc/87/47/39/497874739.db2.gz JPIIFNZCBUUBOU-UXPWSPDFSA-N 1 1 357.498 3.369 20 30 FGEDMO COc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1NC(=O)[C@H]1CCCN1C ZINC000329713559 497877527 /nfs/dbraw/zinc/87/75/27/497877527.db2.gz RRKDQCRHLJWAKT-JKSUJKDBSA-N 1 1 360.458 3.060 20 30 FGEDMO COc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)ccc1NC(=O)[C@H]1CCCN1C ZINC000329713559 497877531 /nfs/dbraw/zinc/87/75/31/497877531.db2.gz RRKDQCRHLJWAKT-JKSUJKDBSA-N 1 1 360.458 3.060 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CC[N@H+]1C ZINC000329727381 497881270 /nfs/dbraw/zinc/88/12/70/497881270.db2.gz OTFJVEMJYKERJX-YLJYHZDGSA-N 1 1 371.525 3.297 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CCOCC2(CCC2)C1 ZINC000329724327 497881411 /nfs/dbraw/zinc/88/14/11/497881411.db2.gz BNNKLROCULXUEH-HNNXBMFYSA-N 1 1 360.454 3.327 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCOCC2(CCC2)C1 ZINC000329724327 497881419 /nfs/dbraw/zinc/88/14/19/497881419.db2.gz BNNKLROCULXUEH-HNNXBMFYSA-N 1 1 360.454 3.327 20 30 FGEDMO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000329771742 497896662 /nfs/dbraw/zinc/89/66/62/497896662.db2.gz GYVIKZFOFQCIGV-UHFFFAOYSA-N 1 1 352.862 3.308 20 30 FGEDMO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000329771742 497896668 /nfs/dbraw/zinc/89/66/68/497896668.db2.gz GYVIKZFOFQCIGV-UHFFFAOYSA-N 1 1 352.862 3.308 20 30 FGEDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)Nc1ccc(OC2CCCC2)nc1 ZINC000329804033 497906905 /nfs/dbraw/zinc/90/69/05/497906905.db2.gz LTICEGYGGIALAV-AWEZNQCLSA-N 1 1 355.442 3.188 20 30 FGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000329849387 497926532 /nfs/dbraw/zinc/92/65/32/497926532.db2.gz RVCLQXLUPBKYIZ-RISCZKNCSA-N 1 1 371.462 3.326 20 30 FGEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000329849130 497926872 /nfs/dbraw/zinc/92/68/72/497926872.db2.gz PWYBFZWRZDALAK-KBPBESRZSA-N 1 1 365.437 3.460 20 30 FGEDMO COc1ccccc1[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329911012 497949436 /nfs/dbraw/zinc/94/94/36/497949436.db2.gz NOEBGAUKDGZYLU-RDJZCZTQSA-N 1 1 354.454 3.205 20 30 FGEDMO COc1ccccc1[C@@H]1CCCN1C(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329911012 497949440 /nfs/dbraw/zinc/94/94/40/497949440.db2.gz NOEBGAUKDGZYLU-RDJZCZTQSA-N 1 1 354.454 3.205 20 30 FGEDMO COc1ccccc1[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329911012 497949447 /nfs/dbraw/zinc/94/94/47/497949447.db2.gz NOEBGAUKDGZYLU-RDJZCZTQSA-N 1 1 354.454 3.205 20 30 FGEDMO CCC1(CC)Oc2ccc(NC(=O)NCC[N@H+]3CCCOCC3)cc2O1 ZINC000329938457 497960888 /nfs/dbraw/zinc/96/08/88/497960888.db2.gz FBJIHKUDMXOQTE-UHFFFAOYSA-N 1 1 363.458 3.022 20 30 FGEDMO C=C[C@@](C)(CC)c1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000288993887 497973401 /nfs/dbraw/zinc/97/34/01/497973401.db2.gz JFKSOFUZIWIWDP-UZLBHIALSA-N 1 1 354.454 3.040 20 30 FGEDMO C=C[C@@](C)(CC)c1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000288993887 497973409 /nfs/dbraw/zinc/97/34/09/497973409.db2.gz JFKSOFUZIWIWDP-UZLBHIALSA-N 1 1 354.454 3.040 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)C1 ZINC000330090167 498018059 /nfs/dbraw/zinc/01/80/59/498018059.db2.gz WOTAFMCALFFGCJ-DLVXIWMQSA-N 1 1 368.481 3.290 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000569564206 505966168 /nfs/dbraw/zinc/96/61/68/505966168.db2.gz CRIUNQHMMGJOLM-XJKSGUPXSA-N 1 1 354.841 3.423 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000569564206 505966173 /nfs/dbraw/zinc/96/61/73/505966173.db2.gz CRIUNQHMMGJOLM-XJKSGUPXSA-N 1 1 354.841 3.423 20 30 FGEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1nc(C(C)(C)C)cs1 ZINC000330111741 498026434 /nfs/dbraw/zinc/02/64/34/498026434.db2.gz BJBJUZLPXKQYBD-ZDUSSCGKSA-N 1 1 366.531 3.171 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(CNc2nc(C(F)(F)F)ccc2C#N)cn1 ZINC000301309927 498050532 /nfs/dbraw/zinc/05/05/32/498050532.db2.gz YJSPHQGLXUJRMB-UHFFFAOYSA-N 1 1 358.327 3.473 20 30 FGEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000330201086 498059330 /nfs/dbraw/zinc/05/93/30/498059330.db2.gz XGOOGTHCBMYTJJ-QZTJIDSGSA-N 1 1 371.481 3.149 20 30 FGEDMO Cc1nc([C@@H]2CCCOC2)sc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000330225749 498069057 /nfs/dbraw/zinc/06/90/57/498069057.db2.gz BGBRCAPCVIKBBZ-IUODEOHRSA-N 1 1 362.499 3.491 20 30 FGEDMO C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC[N@H+]1C ZINC000330241963 498076613 /nfs/dbraw/zinc/07/66/13/498076613.db2.gz FWZPDSCIIAVVJL-WSTLGDPDSA-N 1 1 367.497 3.098 20 30 FGEDMO C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC[N@@H+]1C ZINC000330241963 498076621 /nfs/dbraw/zinc/07/66/21/498076621.db2.gz FWZPDSCIIAVVJL-WSTLGDPDSA-N 1 1 367.497 3.098 20 30 FGEDMO C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC[N@H+]1C ZINC000330241963 498076627 /nfs/dbraw/zinc/07/66/27/498076627.db2.gz FWZPDSCIIAVVJL-WSTLGDPDSA-N 1 1 367.497 3.098 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC[N@@H+]1C ZINC000330241963 498076635 /nfs/dbraw/zinc/07/66/35/498076635.db2.gz FWZPDSCIIAVVJL-WSTLGDPDSA-N 1 1 367.497 3.098 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC[N@H+]1C ZINC000330241963 498076638 /nfs/dbraw/zinc/07/66/38/498076638.db2.gz FWZPDSCIIAVVJL-WSTLGDPDSA-N 1 1 367.497 3.098 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289269814 498084930 /nfs/dbraw/zinc/08/49/30/498084930.db2.gz DYGBYLSRLQWAFI-OAHLLOKOSA-N 1 1 352.413 3.241 20 30 FGEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000330265479 498085322 /nfs/dbraw/zinc/08/53/22/498085322.db2.gz ZHZBMBWMPHHPMV-CQSZACIVSA-N 1 1 354.410 3.075 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)N[C@H]2CC=CCC2)[C@@H]1c1cnn(C)c1 ZINC000330319921 498103975 /nfs/dbraw/zinc/10/39/75/498103975.db2.gz DRIZSYCSAXETCB-YTQUADARSA-N 1 1 359.518 3.148 20 30 FGEDMO Cn1cc([C@H]2OCCC[C@@H]2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000330330460 498106790 /nfs/dbraw/zinc/10/67/90/498106790.db2.gz NILFXHNQRYWKLQ-AYOQOUSVSA-N 1 1 360.502 3.251 20 30 FGEDMO C[C@H](CN(C)CC#CC[N@@H+](C)C[C@@H](C)c1nccs1)c1nccs1 ZINC000569632800 505980365 /nfs/dbraw/zinc/98/03/65/505980365.db2.gz MOVALISUIDEOPZ-HZPDHXFCSA-N 1 1 362.568 3.374 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1 ZINC000330361554 498118265 /nfs/dbraw/zinc/11/82/65/498118265.db2.gz YMRFUQLGNCCGKR-OIISXLGYSA-N 1 1 354.454 3.054 20 30 FGEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292717345 498120309 /nfs/dbraw/zinc/12/03/09/498120309.db2.gz DWPUIAKVRMGLGI-QGZVFWFLSA-N 1 1 353.470 3.175 20 30 FGEDMO N#CC1(CCC[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000281370191 498124816 /nfs/dbraw/zinc/12/48/16/498124816.db2.gz OKFKILMHEUJWCL-OYRHEFFESA-N 1 1 353.510 3.151 20 30 FGEDMO N#CC1(CCC[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000281370191 498124822 /nfs/dbraw/zinc/12/48/22/498124822.db2.gz OKFKILMHEUJWCL-OYRHEFFESA-N 1 1 353.510 3.151 20 30 FGEDMO COC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)o1 ZINC000285552670 498126652 /nfs/dbraw/zinc/12/66/52/498126652.db2.gz RTRAEFPJHPAURL-UHFFFAOYSA-N 1 1 358.369 3.120 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000330468195 498136379 /nfs/dbraw/zinc/13/63/79/498136379.db2.gz JXFSLMSSKBVEMG-LLVKDONJSA-N 1 1 370.247 3.455 20 30 FGEDMO C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000281425720 498146705 /nfs/dbraw/zinc/14/67/05/498146705.db2.gz KTROWSOQCBACNC-DOTOQJQBSA-N 1 1 357.498 3.456 20 30 FGEDMO CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl ZINC000330524084 498146808 /nfs/dbraw/zinc/14/68/08/498146808.db2.gz KMNQSSRIBCBLCK-UONOGXRCSA-N 1 1 369.893 3.060 20 30 FGEDMO CCN1CC[NH+]([C@H](C)CNc2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000301529663 498149562 /nfs/dbraw/zinc/14/95/62/498149562.db2.gz OUYISVKJPUEBBG-QGZVFWFLSA-N 1 1 351.498 3.161 20 30 FGEDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)[C@H](C)C1 ZINC000330551323 498150769 /nfs/dbraw/zinc/15/07/69/498150769.db2.gz FMONZWTVUBGOHY-GHMZBOCLSA-N 1 1 361.820 3.210 20 30 FGEDMO CCOC(=O)c1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1C ZINC000330577522 498154649 /nfs/dbraw/zinc/15/46/49/498154649.db2.gz RULRIIRPBWCCFC-UONOGXRCSA-N 1 1 365.449 3.271 20 30 FGEDMO Cc1nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000364818158 498157621 /nfs/dbraw/zinc/15/76/21/498157621.db2.gz KALXPTNYRVOBPD-IIBYNOLFSA-N 1 1 362.477 3.244 20 30 FGEDMO CN1CC[NH+](C[C@@H](Nc2ccc(Cl)c(C#N)n2)c2ccccc2)CC1 ZINC000301564038 498165868 /nfs/dbraw/zinc/16/58/68/498165868.db2.gz YSCJPKFOMAXTCO-GOSISDBHSA-N 1 1 355.873 3.007 20 30 FGEDMO CSc1ccc(C)c(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000330678817 498172892 /nfs/dbraw/zinc/17/28/92/498172892.db2.gz CPVOXRBIUQFGGN-QGZVFWFLSA-N 1 1 351.516 3.400 20 30 FGEDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000285784555 498199155 /nfs/dbraw/zinc/19/91/55/498199155.db2.gz UJJHIOYXEJEITI-UHFFFAOYSA-N 1 1 365.437 3.155 20 30 FGEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000330870459 498208643 /nfs/dbraw/zinc/20/86/43/498208643.db2.gz BLMQLGJNOVGCQE-GJZGRUSLSA-N 1 1 361.486 3.141 20 30 FGEDMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000330871219 498208803 /nfs/dbraw/zinc/20/88/03/498208803.db2.gz XOGPMMOEZVJBJZ-NSHDSACASA-N 1 1 361.820 3.212 20 30 FGEDMO CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000330887287 498211088 /nfs/dbraw/zinc/21/10/88/498211088.db2.gz MVDRMOWJJWXOPJ-NWDGAFQWSA-N 1 1 352.866 3.258 20 30 FGEDMO C[N@H+]1CCC[C@]2(CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)C1 ZINC000292983272 498222432 /nfs/dbraw/zinc/22/24/32/498222432.db2.gz NIGLYEYSOAINKK-FQEVSTJZSA-N 1 1 374.916 3.004 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C(=O)OC)c(C)cc2C)[C@H](C)C1 ZINC000330972450 498228508 /nfs/dbraw/zinc/22/85/08/498228508.db2.gz KKYQNJJBOKJRAP-QAPCUYQASA-N 1 1 361.486 3.298 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292999104 498229363 /nfs/dbraw/zinc/22/93/63/498229363.db2.gz SOSRPRDXVSWINP-HNAYVOBHSA-N 1 1 358.511 3.498 20 30 FGEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000331038729 498240611 /nfs/dbraw/zinc/24/06/11/498240611.db2.gz PCEUXYOPQUQKKH-HZPDHXFCSA-N 1 1 357.498 3.105 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293072064 498257942 /nfs/dbraw/zinc/25/79/42/498257942.db2.gz VMTNGIVECQNHJL-YLJYHZDGSA-N 1 1 361.555 3.069 20 30 FGEDMO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1OC(C)C ZINC000331154458 498263989 /nfs/dbraw/zinc/26/39/89/498263989.db2.gz PFZBGHWSIYMGKA-MRXNPFEDSA-N 1 1 363.502 3.105 20 30 FGEDMO CC(C)Oc1c(Cl)cccc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000331162988 498266683 /nfs/dbraw/zinc/26/66/83/498266683.db2.gz GOWNARSOKLHUDA-KGLIPLIRSA-N 1 1 369.893 3.060 20 30 FGEDMO CCSc1ccc(Cl)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000331194437 498273292 /nfs/dbraw/zinc/27/32/92/498273292.db2.gz SPPQEGCLADVTFG-CHWSQXEVSA-N 1 1 371.934 3.384 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@H]1C ZINC000331247292 498283839 /nfs/dbraw/zinc/28/38/39/498283839.db2.gz VLIPADDPXCBWCH-WBVHZDCISA-N 1 1 357.502 3.269 20 30 FGEDMO C[C@@]1(NC(=O)CSc2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000572606778 506010090 /nfs/dbraw/zinc/01/00/90/506010090.db2.gz AZFSBUJWPITXCS-OAQYLSRUSA-N 1 1 365.502 3.431 20 30 FGEDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000293189763 498300218 /nfs/dbraw/zinc/30/02/18/498300218.db2.gz HXOFRFSEHUHMHF-UHFFFAOYSA-N 1 1 368.403 3.309 20 30 FGEDMO Cc1cc(N2CCC(Nc3nc4c(cc3C#N)CCCC4)CC2)nc(C)[nH+]1 ZINC000301891540 498313736 /nfs/dbraw/zinc/31/37/36/498313736.db2.gz OFVUTZLUKSURIH-UHFFFAOYSA-N 1 1 362.481 3.320 20 30 FGEDMO C=CCn1c(CC2CC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000575838599 506014860 /nfs/dbraw/zinc/01/48/60/506014860.db2.gz KUZVYLHPCMHKLF-UHFFFAOYSA-N 1 1 351.498 3.129 20 30 FGEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC000293261236 498323322 /nfs/dbraw/zinc/32/33/22/498323322.db2.gz XLSPKOSHCVQHEG-QWHCGFSZSA-N 1 1 368.359 3.428 20 30 FGEDMO CCC[C@H]1CN(c2nccc(C#N)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000302003147 498363874 /nfs/dbraw/zinc/36/38/74/498363874.db2.gz JQXCDMSXLPYAOB-SFHVURJKSA-N 1 1 365.437 3.352 20 30 FGEDMO Cc1cccc(NC(=O)N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000282054986 498372239 /nfs/dbraw/zinc/37/22/39/498372239.db2.gz RSUNURRKUJRHFE-UHFFFAOYSA-N 1 1 370.497 3.245 20 30 FGEDMO Cc1cc[nH+]c(N2CCN(c3ccc(Br)cc3C#N)CC2)c1 ZINC000302089469 498401548 /nfs/dbraw/zinc/40/15/48/498401548.db2.gz OSORDSCTKGHCLN-UHFFFAOYSA-N 1 1 357.255 3.351 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)cc1 ZINC000302215175 498447262 /nfs/dbraw/zinc/44/72/62/498447262.db2.gz OMPHTOUCAKFTSK-UHFFFAOYSA-N 1 1 366.421 3.187 20 30 FGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000282284867 498451845 /nfs/dbraw/zinc/45/18/45/498451845.db2.gz LGLXNMJDOGRYAS-UHFFFAOYSA-N 1 1 351.450 3.291 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000365484465 498490954 /nfs/dbraw/zinc/49/09/54/498490954.db2.gz ZKMWFNXJVUXLDO-FUHWJXTLSA-N 1 1 354.479 3.112 20 30 FGEDMO COc1cc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)ccc1C#N ZINC000282407104 498499183 /nfs/dbraw/zinc/49/91/83/498499183.db2.gz SAQZYCMMHFAXAD-UHFFFAOYSA-N 1 1 364.493 3.101 20 30 FGEDMO COc1cc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)ccc1C#N ZINC000282407104 498499190 /nfs/dbraw/zinc/49/91/90/498499190.db2.gz SAQZYCMMHFAXAD-UHFFFAOYSA-N 1 1 364.493 3.101 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000297617969 498513949 /nfs/dbraw/zinc/51/39/49/498513949.db2.gz HBMIARSRSVQDEK-ZWCUEREDSA-N 1 1 351.494 3.487 20 30 FGEDMO Cc1ccc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc1C#N ZINC000302624683 498519445 /nfs/dbraw/zinc/51/94/45/498519445.db2.gz HTDOPZJIPVFPIG-CALCHBBNSA-N 1 1 350.466 3.483 20 30 FGEDMO C=CCNC(=O)c1ccc(NCC[N@H+]2CCc3c(Cl)cccc3C2)nc1 ZINC000302631386 498521209 /nfs/dbraw/zinc/52/12/09/498521209.db2.gz GPFIWPYMHWYPGG-UHFFFAOYSA-N 1 1 370.884 3.121 20 30 FGEDMO C=CCNC(=O)c1ccc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)nc1 ZINC000302631386 498521211 /nfs/dbraw/zinc/52/12/11/498521211.db2.gz GPFIWPYMHWYPGG-UHFFFAOYSA-N 1 1 370.884 3.121 20 30 FGEDMO CC[C@H](Nc1ccc(C)c(C#N)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302670871 498527690 /nfs/dbraw/zinc/52/76/90/498527690.db2.gz RJZDTISAHIDZKQ-ICSRJNTNSA-N 1 1 350.466 3.353 20 30 FGEDMO CC[C@H](Nc1ccc(C)c(C#N)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302670871 498527696 /nfs/dbraw/zinc/52/76/96/498527696.db2.gz RJZDTISAHIDZKQ-ICSRJNTNSA-N 1 1 350.466 3.353 20 30 FGEDMO Cc1c([C@@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cnn1C ZINC000362660231 498534182 /nfs/dbraw/zinc/53/41/82/498534182.db2.gz VMZPDLDTKSWHRD-ACJLOTCBSA-N 1 1 371.872 3.418 20 30 FGEDMO Cc1c([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cnn1C ZINC000362660231 498534186 /nfs/dbraw/zinc/53/41/86/498534186.db2.gz VMZPDLDTKSWHRD-ACJLOTCBSA-N 1 1 371.872 3.418 20 30 FGEDMO N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000302781970 498571737 /nfs/dbraw/zinc/57/17/37/498571737.db2.gz JXACNDPEHFULET-IBGZPJMESA-N 1 1 366.421 3.169 20 30 FGEDMO CO[C@H](C)c1noc(CN2CCC[N@@H+](CCCCC(C)(C)C#N)CC2)n1 ZINC000365638878 498573277 /nfs/dbraw/zinc/57/32/77/498573277.db2.gz XCKBFYJYISOWQS-MRXNPFEDSA-N 1 1 363.506 3.005 20 30 FGEDMO N#CCc1cccc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000365756474 498627583 /nfs/dbraw/zinc/62/75/83/498627583.db2.gz DHSCKLGXCHUAOU-FGZHOGPDSA-N 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/nfs/dbraw/zinc/12/89/81/500128981.db2.gz QONDWIRPYIOPIQ-HNNXBMFYSA-N 1 1 352.413 3.436 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529539 500133834 /nfs/dbraw/zinc/13/38/34/500133834.db2.gz BYYYWAHEDXVJKE-AWEZNQCLSA-N 1 1 352.394 3.406 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529539 500133844 /nfs/dbraw/zinc/13/38/44/500133844.db2.gz BYYYWAHEDXVJKE-AWEZNQCLSA-N 1 1 352.394 3.406 20 30 FGEDMO COCCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425529055 500134101 /nfs/dbraw/zinc/13/41/01/500134101.db2.gz ALTODSYPTCSOJQ-DYESRHJHSA-N 1 1 368.477 3.180 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCCc1cccc2cccnc21 ZINC000425535334 500136419 /nfs/dbraw/zinc/13/64/19/500136419.db2.gz NFUMJWKISKFXTE-KRWDZBQOSA-N 1 1 372.472 3.458 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCCc1cccc2cccnc21 ZINC000425535334 500136421 /nfs/dbraw/zinc/13/64/21/500136421.db2.gz NFUMJWKISKFXTE-KRWDZBQOSA-N 1 1 372.472 3.458 20 30 FGEDMO COCc1ccc(CNC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425539662 500137848 /nfs/dbraw/zinc/13/78/48/500137848.db2.gz UERBXZQONCZXHH-MRXNPFEDSA-N 1 1 351.450 3.014 20 30 FGEDMO COCc1ccc(CNC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425539662 500137851 /nfs/dbraw/zinc/13/78/51/500137851.db2.gz UERBXZQONCZXHH-MRXNPFEDSA-N 1 1 351.450 3.014 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425556479 500145351 /nfs/dbraw/zinc/14/53/51/500145351.db2.gz UIFOHACHXYQJFJ-IFMALSPDSA-N 1 1 371.521 3.436 20 30 FGEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425670735 500176642 /nfs/dbraw/zinc/17/66/42/500176642.db2.gz GGRPKZNAIFWMLA-PWIZWCRZSA-N 1 1 368.525 3.451 20 30 FGEDMO C=CC[C@H](C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000422019326 500199541 /nfs/dbraw/zinc/19/95/41/500199541.db2.gz LLXDXZUVBVOGGI-QFIPXVFZSA-N 1 1 369.553 3.365 20 30 FGEDMO C=CC[C@H](C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000422019326 500199544 /nfs/dbraw/zinc/19/95/44/500199544.db2.gz LLXDXZUVBVOGGI-QFIPXVFZSA-N 1 1 369.553 3.365 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)nc1 ZINC000430167291 500203058 /nfs/dbraw/zinc/20/30/58/500203058.db2.gz VPWGAUXOFMIBLE-CQSZACIVSA-N 1 1 363.339 3.347 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)nc1 ZINC000430167291 500203061 /nfs/dbraw/zinc/20/30/61/500203061.db2.gz VPWGAUXOFMIBLE-CQSZACIVSA-N 1 1 363.339 3.347 20 30 FGEDMO CCCOc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OC ZINC000430183706 500205495 /nfs/dbraw/zinc/20/54/95/500205495.db2.gz CZDWNLHLULQLIZ-SFHVURJKSA-N 1 1 367.449 3.404 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000425858486 500205819 /nfs/dbraw/zinc/20/58/19/500205819.db2.gz QTCOGENZHWGRQD-IHPCNDPISA-N 1 1 363.546 3.264 20 30 FGEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000426129007 500239515 /nfs/dbraw/zinc/23/95/15/500239515.db2.gz PSUJJIPYRMCFAS-BETUJISGSA-N 1 1 364.877 3.221 20 30 FGEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000426129007 500239519 /nfs/dbraw/zinc/23/95/19/500239519.db2.gz PSUJJIPYRMCFAS-BETUJISGSA-N 1 1 364.877 3.221 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2CCO)sc2c1CCCCC2 ZINC000426270551 500255648 /nfs/dbraw/zinc/25/56/48/500255648.db2.gz JAPGWKNGWXTDKY-AWEZNQCLSA-N 1 1 361.511 3.064 20 30 FGEDMO C=CCc1cc(CNc2[nH+]c3ccc(F)cc3n2C)cc(OC)c1OC ZINC000431402436 500372776 /nfs/dbraw/zinc/37/27/76/500372776.db2.gz KBQJNYKHZVSOKJ-UHFFFAOYSA-N 1 1 355.413 3.492 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000419637834 500386747 /nfs/dbraw/zinc/38/67/47/500386747.db2.gz KSNJPTRZAYFDHD-PXNSSMCTSA-N 1 1 354.498 3.309 20 30 FGEDMO C=CCn1cc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)nn1 ZINC000424293811 500482775 /nfs/dbraw/zinc/48/27/75/500482775.db2.gz JLGWFJPVDNDFCK-CQSZACIVSA-N 1 1 351.223 3.143 20 30 FGEDMO CC(C)O[C@H](C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1 ZINC000428223108 500483609 /nfs/dbraw/zinc/48/36/09/500483609.db2.gz ORIDWANQOONROR-YLJYHZDGSA-N 1 1 365.481 3.025 20 30 FGEDMO N#CC[C@@H](CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1ccccc1 ZINC000428548219 500525289 /nfs/dbraw/zinc/52/52/89/500525289.db2.gz OLIDFTVCQUMSSL-PZJWPPBQSA-N 1 1 363.461 3.279 20 30 FGEDMO CO[C@H](C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(Cl)cc1 ZINC000428784190 500556875 /nfs/dbraw/zinc/55/68/75/500556875.db2.gz OKSFLDJRVOSCFE-QZTJIDSGSA-N 1 1 357.841 3.447 20 30 FGEDMO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(Br)cc1C#N)C(N)=O ZINC000428843144 500564925 /nfs/dbraw/zinc/56/49/25/500564925.db2.gz UZTVFSGMIUNXLA-PXAZEXFGSA-N 1 1 372.266 3.068 20 30 FGEDMO C=CCC1(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCOCC1 ZINC000424830791 500569574 /nfs/dbraw/zinc/56/95/74/500569574.db2.gz HVLVPEFJBPTQFO-QFIPXVFZSA-N 1 1 368.521 3.484 20 30 FGEDMO Cc1cc(F)cc2c1ncc(C#N)c2N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000432925193 500591859 /nfs/dbraw/zinc/59/18/59/500591859.db2.gz QJUWSYCZRVJBFY-GASCZTMLSA-N 1 1 356.445 3.099 20 30 FGEDMO Cc1cc(F)cc2c1ncc(C#N)c2N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000432925193 500591860 /nfs/dbraw/zinc/59/18/60/500591860.db2.gz QJUWSYCZRVJBFY-GASCZTMLSA-N 1 1 356.445 3.099 20 30 FGEDMO C[N@H+]1CCC[C@]2(CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc43)C2)C1 ZINC000573508694 506205683 /nfs/dbraw/zinc/20/56/83/506205683.db2.gz UMNVWTFVSVPRAC-IBGZPJMESA-N 1 1 360.383 3.446 20 30 FGEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)Cc1ccccc1 ZINC000433042361 500611990 /nfs/dbraw/zinc/61/19/90/500611990.db2.gz GBJQDNGNOCLPEX-SFHVURJKSA-N 1 1 363.379 3.472 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(C#N)c(O)c3)cc2)C1 ZINC000442867922 500636277 /nfs/dbraw/zinc/63/62/77/500636277.db2.gz FXGZIRKXWGHEDT-MRXNPFEDSA-N 1 1 363.461 3.426 20 30 FGEDMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)Cc2ccccc21 ZINC000442884840 500640702 /nfs/dbraw/zinc/64/07/02/500640702.db2.gz LPQKMYCYITWHGZ-LJQANCHMSA-N 1 1 350.418 3.229 20 30 FGEDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)Cc2ccccc21 ZINC000442884840 500640703 /nfs/dbraw/zinc/64/07/03/500640703.db2.gz LPQKMYCYITWHGZ-LJQANCHMSA-N 1 1 350.418 3.229 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC[N@H+]1C ZINC000437518133 500653603 /nfs/dbraw/zinc/65/36/03/500653603.db2.gz LGDFRAUUPURWIN-CZUORRHYSA-N 1 1 369.494 3.210 20 30 FGEDMO Cc1cccc2[nH]c(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)nc21 ZINC000433337547 500676123 /nfs/dbraw/zinc/67/61/23/500676123.db2.gz CSWGDQKNSTWMJQ-UHFFFAOYSA-N 1 1 371.448 3.333 20 30 FGEDMO Cc1cccc2nc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)[nH]c21 ZINC000433337547 500676128 /nfs/dbraw/zinc/67/61/28/500676128.db2.gz CSWGDQKNSTWMJQ-UHFFFAOYSA-N 1 1 371.448 3.333 20 30 FGEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000437653155 500676649 /nfs/dbraw/zinc/67/66/49/500676649.db2.gz BFNOHWNFQCYJHM-VQIMIIECSA-N 1 1 372.444 3.100 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000437657162 500677064 /nfs/dbraw/zinc/67/70/64/500677064.db2.gz UBNNQIMHDQKRFC-GIVPXCGWSA-N 1 1 371.525 3.104 20 30 FGEDMO COCC[N@@H+]([C@H]1CCC[C@@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000447877566 500683681 /nfs/dbraw/zinc/68/36/81/500683681.db2.gz FIMQJJRCXJDWHH-FFZOFVMBSA-N 1 1 355.482 3.191 20 30 FGEDMO C=CCC[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1 ZINC000433404383 500687752 /nfs/dbraw/zinc/68/77/52/500687752.db2.gz WTFXVJQMDSWJOM-UYAOXDASSA-N 1 1 359.514 3.494 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccc(F)cc3C2)c(OC)c1 ZINC000433460185 500698696 /nfs/dbraw/zinc/69/86/96/500698696.db2.gz OVECSYNUUIJNER-HXUWFJFHSA-N 1 1 371.452 3.361 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCc3ccc(F)cc3C2)c(OC)c1 ZINC000433460185 500698698 /nfs/dbraw/zinc/69/86/98/500698698.db2.gz OVECSYNUUIJNER-HXUWFJFHSA-N 1 1 371.452 3.361 20 30 FGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000443335026 500711358 /nfs/dbraw/zinc/71/13/58/500711358.db2.gz ULKWEWNRGAGHPK-VKJFTORMSA-N 1 1 363.889 3.068 20 30 FGEDMO N#Cc1ccc(OCC[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)cc1 ZINC000611577273 506219719 /nfs/dbraw/zinc/21/97/19/506219719.db2.gz UDSXESVHQRZINN-SFHVURJKSA-N 1 1 364.367 3.362 20 30 FGEDMO N#Cc1ccc(OCC[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)cc1 ZINC000611577273 506219722 /nfs/dbraw/zinc/21/97/22/506219722.db2.gz UDSXESVHQRZINN-SFHVURJKSA-N 1 1 364.367 3.362 20 30 FGEDMO C[N@H+](Cc1cc(F)cc(F)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000444713740 500884874 /nfs/dbraw/zinc/88/48/74/500884874.db2.gz ZNUXWVDNMRBDJZ-IBGZPJMESA-N 1 1 355.388 3.464 20 30 FGEDMO C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000444713740 500884876 /nfs/dbraw/zinc/88/48/76/500884876.db2.gz ZNUXWVDNMRBDJZ-IBGZPJMESA-N 1 1 355.388 3.464 20 30 FGEDMO Cc1ccc([C@]2(C)CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000434749977 500888877 /nfs/dbraw/zinc/88/88/77/500888877.db2.gz ZUVZDEMQIKAVAR-RBBKRZOGSA-N 1 1 350.462 3.270 20 30 FGEDMO COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439431501 500896260 /nfs/dbraw/zinc/89/62/60/500896260.db2.gz NFAPGSJJXFRDMH-UHFFFAOYSA-N 1 1 358.825 3.395 20 30 FGEDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439431501 500896262 /nfs/dbraw/zinc/89/62/62/500896262.db2.gz NFAPGSJJXFRDMH-UHFFFAOYSA-N 1 1 358.825 3.395 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c(Cl)c1 ZINC000444775095 500897419 /nfs/dbraw/zinc/89/74/19/500897419.db2.gz ZDPVNMFFZDSNGE-UHFFFAOYSA-N 1 1 361.795 3.303 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+](C)CCN2CCOC(C)(C)C2)ccc1OC ZINC000435055953 500928079 /nfs/dbraw/zinc/92/80/79/500928079.db2.gz DPBOFPCPIDIHLP-UHFFFAOYSA-N 1 1 362.514 3.193 20 30 FGEDMO C=CCC[C@@H](NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000435113130 500935512 /nfs/dbraw/zinc/93/55/12/500935512.db2.gz HKNGWLIBGYBWJG-VQTJNVASSA-N 1 1 359.514 3.350 20 30 FGEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000592752257 506229711 /nfs/dbraw/zinc/22/97/11/506229711.db2.gz CBNZDWQYOPRAGG-QGZVFWFLSA-N 1 1 365.481 3.007 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+](CCO)[C@@H]3CCCc4ccccc43)o2)c1 ZINC000440634095 501031898 /nfs/dbraw/zinc/03/18/98/501031898.db2.gz ANWOGXMEABLUKT-HXUWFJFHSA-N 1 1 374.444 3.480 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+](CCO)[C@@H]3CCCc4ccccc43)o2)c1 ZINC000440634095 501031901 /nfs/dbraw/zinc/03/19/01/501031901.db2.gz ANWOGXMEABLUKT-HXUWFJFHSA-N 1 1 374.444 3.480 20 30 FGEDMO C=CCC[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)C(=O)OCC ZINC000449656794 501051902 /nfs/dbraw/zinc/05/19/02/501051902.db2.gz MJANCKRVMVJCOJ-QGZVFWFLSA-N 1 1 352.425 3.421 20 30 FGEDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449676639 501058898 /nfs/dbraw/zinc/05/88/98/501058898.db2.gz IRIDVIULDFUXLV-JTSKRJEESA-N 1 1 366.461 3.109 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441044958 501078972 /nfs/dbraw/zinc/07/89/72/501078972.db2.gz XYYODHRZVJWPMU-MGPUTAFESA-N 1 1 352.434 3.270 20 30 FGEDMO C=CC[N@H+](CCCc1cc(CC)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000450385555 501107459 /nfs/dbraw/zinc/10/74/59/501107459.db2.gz CUWAHYMOKQASAJ-MRXNPFEDSA-N 1 1 366.469 3.395 20 30 FGEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(C#N)c1Br ZINC000450052459 501165426 /nfs/dbraw/zinc/16/54/26/501165426.db2.gz LNEISICSVFIFOI-KGLIPLIRSA-N 1 1 362.271 3.020 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000455397275 501291440 /nfs/dbraw/zinc/29/14/40/501291440.db2.gz CHMARLKPUFPKHK-URVUXULASA-N 1 1 369.509 3.028 20 30 FGEDMO C[N@@H+](CCCNC(=O)N1CCc2c(CC#N)cccc2C1)C1CCCCC1 ZINC000598957774 506245179 /nfs/dbraw/zinc/24/51/79/506245179.db2.gz CGKXTDZKQXEAQT-UHFFFAOYSA-N 1 1 368.525 3.475 20 30 FGEDMO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1(C)C ZINC000451571311 501327193 /nfs/dbraw/zinc/32/71/93/501327193.db2.gz VSCDNUHRTPXMAZ-WBMJQRKESA-N 1 1 361.511 3.182 20 30 FGEDMO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1(C)C ZINC000451571311 501327194 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N#CCc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000455916511 501414878 /nfs/dbraw/zinc/41/48/78/501414878.db2.gz INXHYUWPJYTWHR-FQEVSTJZSA-N 1 1 362.477 3.439 20 30 FGEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000452041339 501423773 /nfs/dbraw/zinc/42/37/73/501423773.db2.gz RVIHNISBXOGROC-UHFFFAOYSA-N 1 1 350.388 3.269 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C)cc(C#N)c2)[C@H](C)C1 ZINC000456001015 501435365 /nfs/dbraw/zinc/43/53/65/501435365.db2.gz LWCRMQMJULXROY-APWZRJJASA-N 1 1 358.486 3.125 20 30 FGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(CC#N)c3)c2C1 ZINC000454047111 501450152 /nfs/dbraw/zinc/45/01/52/501450152.db2.gz WASXZDHLOQRWJH-UHFFFAOYSA-N 1 1 362.433 3.055 20 30 FGEDMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3cccc(CC#N)c3)c2C1 ZINC000454047111 501450155 /nfs/dbraw/zinc/45/01/55/501450155.db2.gz WASXZDHLOQRWJH-UHFFFAOYSA-N 1 1 362.433 3.055 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CC(C)(C)C#N ZINC000458583463 501480663 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371.525 3.131 20 30 FGEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000454439352 501545352 /nfs/dbraw/zinc/54/53/52/501545352.db2.gz IXMXMQGWMWNOEZ-CALCHBBNSA-N 1 1 371.525 3.131 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)Cc2c(F)cccc2C#N)CCC1 ZINC000452713221 501550519 /nfs/dbraw/zinc/55/05/19/501550519.db2.gz BHCRJFNZSYLMHV-UHFFFAOYSA-N 1 1 365.452 3.411 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459034728 501580694 /nfs/dbraw/zinc/58/06/94/501580694.db2.gz SKAWDFXTBKCXIT-FFGOWVMKSA-N 1 1 357.498 3.024 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000459052747 501583765 /nfs/dbraw/zinc/58/37/65/501583765.db2.gz ZHLLKAIDSODQJG-WLRLJWMZSA-N 1 1 371.525 3.415 20 30 FGEDMO CC(C)(CC#N)CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000459242510 501618244 /nfs/dbraw/zinc/61/82/44/501618244.db2.gz RUPMMNMTCGYBNO-MOPGFXCFSA-N 1 1 354.498 3.090 20 30 FGEDMO 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COc1cccc([C@@H]2[C@H](NC(=O)C3(C#N)CC(C)C3)CC[N@H+]2C2CC2)c1 ZINC000537597826 503968698 /nfs/dbraw/zinc/96/86/98/503968698.db2.gz ZLXYIXWSCUYJBL-JAQPBELDSA-N 1 1 353.466 3.029 20 30 FGEDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]2C ZINC000541021463 503976628 /nfs/dbraw/zinc/97/66/28/503976628.db2.gz YCXQOACVCITZKD-JKSUJKDBSA-N 1 1 363.461 3.191 20 30 FGEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]2C ZINC000541021463 503976632 /nfs/dbraw/zinc/97/66/32/503976632.db2.gz YCXQOACVCITZKD-JKSUJKDBSA-N 1 1 363.461 3.191 20 30 FGEDMO Cc1cc(C)nc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000544029820 503979473 /nfs/dbraw/zinc/97/94/73/503979473.db2.gz OCEBOUYTHWQSKU-UHFFFAOYSA-N 1 1 365.481 3.098 20 30 FGEDMO C=C[C@@H](CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000533912661 503987365 /nfs/dbraw/zinc/98/73/65/503987365.db2.gz ZUIBACJKDLNBKI-FQEVSTJZSA-N 1 1 363.505 3.285 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c1 ZINC000533926352 503992472 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C=C(C)[C@@H](CC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)OCC ZINC000534402972 504132286 /nfs/dbraw/zinc/13/22/86/504132286.db2.gz OQOOLIMIQJBTLC-LVCYWYKZSA-N 1 1 374.525 3.283 20 30 FGEDMO Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000538133833 504141543 /nfs/dbraw/zinc/14/15/43/504141543.db2.gz HCHHBXKBMFLOMX-UHFFFAOYSA-N 1 1 369.490 3.304 20 30 FGEDMO C=CC[N@H+](Cc1cc(OC)cc(C)n1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000534548174 504171398 /nfs/dbraw/zinc/17/13/98/504171398.db2.gz OMOIGUWMFJGIHO-MRXNPFEDSA-N 1 1 364.453 3.124 20 30 FGEDMO COc1cccc(C[C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2C#N)c1 ZINC000528351017 504182047 /nfs/dbraw/zinc/18/20/47/504182047.db2.gz GOJMMQSXUDPSJW-UXHICEINSA-N 1 1 366.461 3.014 20 30 FGEDMO N#Cc1cccc(OC2CC[NH+]([C@H]3CCN(C4CCCCC4)C3=O)CC2)c1 ZINC000528370207 504191711 /nfs/dbraw/zinc/19/17/11/504191711.db2.gz AVNQFSAKQZVIKR-NRFANRHFSA-N 1 1 367.493 3.335 20 30 FGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528488073 504243669 /nfs/dbraw/zinc/24/36/69/504243669.db2.gz NIYHUEFLCDYNCT-TZIWHRDSSA-N 1 1 354.425 3.101 20 30 FGEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000547838005 504243803 /nfs/dbraw/zinc/24/38/03/504243803.db2.gz PWQZWCBRYSVEPF-GGAORHGYSA-N 1 1 373.456 3.185 20 30 FGEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@]4(C3)OCc3ccccc34)C2=O)cc1 ZINC000547838005 504243809 /nfs/dbraw/zinc/24/38/09/504243809.db2.gz PWQZWCBRYSVEPF-GGAORHGYSA-N 1 1 373.456 3.185 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000547838447 504243891 /nfs/dbraw/zinc/24/38/91/504243891.db2.gz PMSDXECRASQWRF-QFIPXVFZSA-N 1 1 361.445 3.408 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC000534844200 504257092 /nfs/dbraw/zinc/25/70/92/504257092.db2.gz HXUVQUUPBCMUSJ-IPMKNSEASA-N 1 1 357.498 3.031 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c(OC(F)F)c1 ZINC000534859720 504261788 /nfs/dbraw/zinc/26/17/88/504261788.db2.gz HJYXKOHULKJZCF-HNNXBMFYSA-N 1 1 366.408 3.177 20 30 FGEDMO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCc2ccc(F)cc21 ZINC000528533733 504263511 /nfs/dbraw/zinc/26/35/11/504263511.db2.gz NLUYWSYTXYKZJO-KXBFYZLASA-N 1 1 354.425 3.099 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000541895517 504294518 /nfs/dbraw/zinc/29/45/18/504294518.db2.gz DSYUOGIFLLAQQF-SFHVURJKSA-N 1 1 362.433 3.242 20 30 FGEDMO COc1cccc([C@@H]2C[N@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2(C)C)c1 ZINC000528626005 504300957 /nfs/dbraw/zinc/30/09/57/504300957.db2.gz OYSBMXKKBWMILJ-YJBOKZPZSA-N 1 1 355.482 3.072 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1C ZINC000531548016 504342581 /nfs/dbraw/zinc/34/25/81/504342581.db2.gz VKHTZWFKZWUSNP-QUCCMNQESA-N 1 1 355.482 3.051 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000531587790 504355784 /nfs/dbraw/zinc/35/57/84/504355784.db2.gz CWSXWYQFWZZVMN-KRWDZBQOSA-N 1 1 369.509 3.374 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)cc1OC ZINC000538750575 504356574 /nfs/dbraw/zinc/35/65/74/504356574.db2.gz KDRCJANBRRANIL-OALUTQOASA-N 1 1 360.498 3.481 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)cc1OC ZINC000538750575 504356579 /nfs/dbraw/zinc/35/65/79/504356579.db2.gz KDRCJANBRRANIL-OALUTQOASA-N 1 1 360.498 3.481 20 30 FGEDMO CC1=CC[N@@H+](CCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000545153493 504377137 /nfs/dbraw/zinc/37/71/37/504377137.db2.gz QUTWWGULWZKTON-UHFFFAOYSA-N 1 1 365.399 3.008 20 30 FGEDMO C=CC[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)CCc1ccccc1 ZINC000520130017 504416821 /nfs/dbraw/zinc/41/68/21/504416821.db2.gz NOTFTCXBVIIALY-UHFFFAOYSA-N 1 1 351.450 3.456 20 30 FGEDMO COCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)c1ccccc1 ZINC000520183290 504428562 /nfs/dbraw/zinc/42/85/62/504428562.db2.gz QMDALTSWTMEQLZ-SFHVURJKSA-N 1 1 357.498 3.381 20 30 FGEDMO COCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)c1ccccc1 ZINC000520183290 504428568 /nfs/dbraw/zinc/42/85/68/504428568.db2.gz QMDALTSWTMEQLZ-SFHVURJKSA-N 1 1 357.498 3.381 20 30 FGEDMO CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cccc(Br)c1 ZINC000520183484 504429206 /nfs/dbraw/zinc/42/92/06/504429206.db2.gz ATVBKTYKMYVTJU-QGZVFWFLSA-N 1 1 366.303 3.325 20 30 FGEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cccc(Br)c1 ZINC000520183484 504429208 /nfs/dbraw/zinc/42/92/08/504429208.db2.gz ATVBKTYKMYVTJU-QGZVFWFLSA-N 1 1 366.303 3.325 20 30 FGEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000520211347 504436224 /nfs/dbraw/zinc/43/62/24/504436224.db2.gz DHAMCBBQNULNGM-NQIIRXRSSA-N 1 1 354.450 3.390 20 30 FGEDMO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000520344028 504472425 /nfs/dbraw/zinc/47/24/25/504472425.db2.gz XLWSPGWVDGSWDE-ZIFCJYIRSA-N 1 1 366.513 3.083 20 30 FGEDMO C=CCOc1cccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000531927826 504476719 /nfs/dbraw/zinc/47/67/19/504476719.db2.gz MYCPLFOVRIZXOS-OALUTQOASA-N 1 1 359.470 3.016 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(c3ncncc3-c3ccccc3)CC2)cc1 ZINC000539249827 504512245 /nfs/dbraw/zinc/51/22/45/504512245.db2.gz JCHOKBVPKRNAEA-UHFFFAOYSA-N 1 1 355.445 3.337 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000539331719 504533060 /nfs/dbraw/zinc/53/30/60/504533060.db2.gz XSTJADCBFDCIIN-UHFFFAOYSA-N 1 1 369.808 3.158 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(Br)cn3)CC2)cc1 ZINC000535781483 504542370 /nfs/dbraw/zinc/54/23/70/504542370.db2.gz GETPYSXBTMAQGR-UHFFFAOYSA-N 1 1 371.282 3.034 20 30 FGEDMO CC(C)[C@@H]1CN(C(=O)Nc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000529125982 504545233 /nfs/dbraw/zinc/54/52/33/504545233.db2.gz XKOLFNQWXFHQHQ-IBGZPJMESA-N 1 1 363.465 3.328 20 30 FGEDMO C[C@@H](Nc1ccc(C(F)(F)F)c(C#N)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000548823188 504579948 /nfs/dbraw/zinc/57/99/48/504579948.db2.gz FMGFOAAQSQHHKC-CHWSQXEVSA-N 1 1 352.404 3.459 20 30 FGEDMO N#Cc1ccccc1CSCCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000542766941 504599997 /nfs/dbraw/zinc/59/99/97/504599997.db2.gz TYWPFLLLVYXSII-UHFFFAOYSA-N 1 1 353.495 3.106 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532381226 504630133 /nfs/dbraw/zinc/63/01/33/504630133.db2.gz YESNCASGOHHOQV-IRXDYDNUSA-N 1 1 352.519 3.243 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000532434735 504650514 /nfs/dbraw/zinc/65/05/14/504650514.db2.gz WHMLGUNEWWYRMX-UXHICEINSA-N 1 1 373.497 3.406 20 30 FGEDMO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000542942328 504667013 /nfs/dbraw/zinc/66/70/13/504667013.db2.gz NOBUGGBJAMQAOC-RXVVDRJESA-N 1 1 364.578 3.263 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000546005869 504672272 /nfs/dbraw/zinc/67/22/72/504672272.db2.gz ZHNHAEVVSNXJEN-GOSISDBHSA-N 1 1 364.449 3.353 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831298 504707072 /nfs/dbraw/zinc/70/70/72/504707072.db2.gz HMUSHMOXUOHIPX-AWEZNQCLSA-N 1 1 350.451 3.345 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000532624908 504715098 /nfs/dbraw/zinc/71/50/98/504715098.db2.gz HOTYKMYOOSOYFT-HNNXBMFYSA-N 1 1 356.495 3.238 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C3CC3)C3CCC3)CC2)cc1 ZINC000521354042 504717340 /nfs/dbraw/zinc/71/73/40/504717340.db2.gz MMVBIGQSAYLSPJ-OAQYLSRUSA-N 1 1 366.509 3.354 20 30 FGEDMO CN(C(=O)C[N@@H+](C)CCCOc1ccc(F)cc1)C1(C#N)CCCCC1 ZINC000521423291 504733499 /nfs/dbraw/zinc/73/34/99/504733499.db2.gz JFQUQXRIPQVRPD-UHFFFAOYSA-N 1 1 361.461 3.211 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000540021993 504760943 /nfs/dbraw/zinc/76/09/43/504760943.db2.gz WOTWLXQQADLCIA-OLZOCXBDSA-N 1 1 356.388 3.435 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000540021993 504760945 /nfs/dbraw/zinc/76/09/45/504760945.db2.gz WOTWLXQQADLCIA-OLZOCXBDSA-N 1 1 356.388 3.435 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000562391873 504805250 /nfs/dbraw/zinc/80/52/50/504805250.db2.gz WNLJFPUMAAFMPC-IAGOWNOFSA-N 1 1 362.424 3.092 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCC2(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000562391873 504805254 /nfs/dbraw/zinc/80/52/54/504805254.db2.gz WNLJFPUMAAFMPC-IAGOWNOFSA-N 1 1 362.424 3.092 20 30 FGEDMO C=CCOc1ccc(CC(=O)N2CCC[C@H]2Cn2cc[nH+]c2CC)cc1 ZINC000556182793 504813238 /nfs/dbraw/zinc/81/32/38/504813238.db2.gz CHGYPUXGXFCAOB-SFHVURJKSA-N 1 1 353.466 3.244 20 30 FGEDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC23CCOCC3)cn1 ZINC000556289738 504837673 /nfs/dbraw/zinc/83/76/73/504837673.db2.gz BBCNOUFDBMGJFX-SFHVURJKSA-N 1 1 370.884 3.341 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000559565497 504887010 /nfs/dbraw/zinc/88/70/10/504887010.db2.gz YLJLNCKDQRJUDE-IBGZPJMESA-N 1 1 365.481 3.107 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000559565498 504887133 /nfs/dbraw/zinc/88/71/33/504887133.db2.gz 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ZPZOOYMMXGWKJE-GOSISDBHSA-N 1 1 352.482 3.089 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2C2(O)CC2)sc2c1CCCC2 ZINC000590968930 507065940 /nfs/dbraw/zinc/06/59/40/507065940.db2.gz RODWUHDXRUXOHO-KRWDZBQOSA-N 1 1 373.522 3.207 20 30 FGEDMO COc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000590978816 507069398 /nfs/dbraw/zinc/06/93/98/507069398.db2.gz GEVNYBYQYFIWBC-NQIIRXRSSA-N 1 1 352.434 3.144 20 30 FGEDMO CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)c1C ZINC000591022942 507082407 /nfs/dbraw/zinc/08/24/07/507082407.db2.gz GRLFVUPWFMBBHQ-CYBMUJFWSA-N 1 1 353.422 3.213 20 30 FGEDMO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594333004 507082799 /nfs/dbraw/zinc/08/27/99/507082799.db2.gz IWDGQRACJZTFGW-SFHVURJKSA-N 1 1 373.460 3.388 20 30 FGEDMO COc1ccccc1[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)c1ccco1 ZINC000600741421 507093277 /nfs/dbraw/zinc/09/32/77/507093277.db2.gz NPZKPHYGHSTPQP-JXFKEZNVSA-N 1 1 370.449 3.039 20 30 FGEDMO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[N@@H+](C)C1CCC1 ZINC000600830149 507140142 /nfs/dbraw/zinc/14/01/42/507140142.db2.gz QNZHSJPYYSYNGL-ZDUSSCGKSA-N 1 1 353.388 3.430 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCC[C@H]3F)CC2)cc1 ZINC000591214360 507155895 /nfs/dbraw/zinc/15/58/95/507155895.db2.gz FYOWPKJGJZVOCH-RTBURBONSA-N 1 1 358.461 3.056 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000613579973 507166218 /nfs/dbraw/zinc/16/62/18/507166218.db2.gz KMUDXZIJNADJNR-TZIWHRDSSA-N 1 1 356.514 3.478 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@@H](CC#N)C3)cc2)C[C@@H](C)O1 ZINC000597913912 507171171 /nfs/dbraw/zinc/17/11/71/507171171.db2.gz POPUMVWBXKSWLJ-KURKYZTESA-N 1 1 355.482 3.062 20 30 FGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1ccc(C#N)cc1 ZINC000610458438 507249007 /nfs/dbraw/zinc/24/90/07/507249007.db2.gz RZCJLXUINPUKMR-SFHVURJKSA-N 1 1 362.477 3.364 20 30 FGEDMO C=C1CC[NH+]([C@H](C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)CC1 ZINC000594733841 507260195 /nfs/dbraw/zinc/26/01/95/507260195.db2.gz VFPHZXPBKNGWRL-NRFANRHFSA-N 1 1 364.445 3.425 20 30 FGEDMO C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000610508090 507270679 /nfs/dbraw/zinc/27/06/79/507270679.db2.gz KVANPOWCNLHKJQ-OAHLLOKOSA-N 1 1 354.429 3.190 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000584353569 507298840 /nfs/dbraw/zinc/29/88/40/507298840.db2.gz FFCMYJQTXSOOQL-LJQANCHMSA-N 1 1 351.406 3.300 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000598195085 507305964 /nfs/dbraw/zinc/30/59/64/507305964.db2.gz KTVGWZKNXIXNBR-JOCHJYFZSA-N 1 1 361.489 3.266 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000598196068 507307512 /nfs/dbraw/zinc/30/75/12/507307512.db2.gz YYSWKSIIIWINOO-JOCHJYFZSA-N 1 1 373.500 3.365 20 30 FGEDMO CN1CCN(C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2ccccc2)CC1 ZINC000594924650 507318163 /nfs/dbraw/zinc/31/81/63/507318163.db2.gz KHNCYJMTCFFACF-QHCPKHFHSA-N 1 1 374.532 3.320 20 30 FGEDMO C[C@@H]1C[C@H](CCNC(=O)C2(C#N)CC3(CC3)C2)C[N@H+]1Cc1ccccc1 ZINC000601366598 507345804 /nfs/dbraw/zinc/34/58/04/507345804.db2.gz MCYVYVXUUPQDSJ-MJGOQNOKSA-N 1 1 351.494 3.487 20 30 FGEDMO N#Cc1ccc(CN2CCC([NH2+][C@@H](CO)c3ccc(F)cc3F)CC2)cc1 ZINC000594995569 507346642 /nfs/dbraw/zinc/34/66/42/507346642.db2.gz NMTBEFIUUZULHZ-NRFANRHFSA-N 1 1 371.431 3.124 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000591796681 507363443 /nfs/dbraw/zinc/36/34/43/507363443.db2.gz UDJPWVVYVJJWKH-OKZBNKHCSA-N 1 1 355.482 3.362 20 30 FGEDMO O=C(c1ccc(C#Cc2ccccc2)cc1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614108214 507371853 /nfs/dbraw/zinc/37/18/53/507371853.db2.gz VHUAIGOLBUYNAL-VXKWHMMOSA-N 1 1 362.448 3.345 20 30 FGEDMO CC(C)(C#N)c1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000614159674 507388480 /nfs/dbraw/zinc/38/84/80/507388480.db2.gz NVKORVZDTBPJPB-UHFFFAOYSA-N 1 1 361.489 3.375 20 30 FGEDMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)ncc1C#N ZINC000598396513 507407388 /nfs/dbraw/zinc/40/73/88/507407388.db2.gz LZLYVQGKIDJRQF-HXUWFJFHSA-N 1 1 374.488 3.294 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000584662885 507438420 /nfs/dbraw/zinc/43/84/20/507438420.db2.gz OBCLTHTZPVWNDQ-ULRHQZHYSA-N 1 1 354.498 3.190 20 30 FGEDMO C[C@H]1CCN(C(=O)c2ncc(C#N)cc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000610908332 507438841 /nfs/dbraw/zinc/43/88/41/507438841.db2.gz HGOIHPATJHEYDX-HNNXBMFYSA-N 1 1 368.868 3.343 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCc2ccc(CC#N)cc2)C1 ZINC000592040449 507462955 /nfs/dbraw/zinc/46/29/55/507462955.db2.gz MFXNEFAIBLWBJG-OAQYLSRUSA-N 1 1 362.477 3.169 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H](F)C3)CC2)cc1 ZINC000584717628 507469789 /nfs/dbraw/zinc/46/97/89/507469789.db2.gz DOTMBKCATJJRLL-MOPGFXCFSA-N 1 1 358.461 3.056 20 30 FGEDMO CC[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@H](CC)CN1Cc1ccnc(C#N)c1 ZINC000610994483 507470319 /nfs/dbraw/zinc/47/03/19/507470319.db2.gz FXNRBGCOVHODQK-FGZHOGPDSA-N 1 1 374.492 3.095 20 30 FGEDMO CC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@H](CC)CN1Cc1ccnc(C#N)c1 ZINC000610994483 507470320 /nfs/dbraw/zinc/47/03/20/507470320.db2.gz FXNRBGCOVHODQK-FGZHOGPDSA-N 1 1 374.492 3.095 20 30 FGEDMO N#Cc1cccc(-c2nnc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000610995348 507473549 /nfs/dbraw/zinc/47/35/49/507473549.db2.gz WGLZBFPXVYNGJZ-PKOBYXMFSA-N 1 1 363.465 3.057 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(F)cccc3N3CCCC3)C2)nc1 ZINC000584757202 507486735 /nfs/dbraw/zinc/48/67/35/507486735.db2.gz VOPCDTAJXOVFSK-QGZVFWFLSA-N 1 1 366.440 3.346 20 30 FGEDMO CC[N@H+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@@H]1C ZINC000611082427 507507302 /nfs/dbraw/zinc/50/73/02/507507302.db2.gz FRAYEXUHCVHGSO-AWEZNQCLSA-N 1 1 369.494 3.163 20 30 FGEDMO C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H](O)CC(C)(C)C#N ZINC000598588124 507508446 /nfs/dbraw/zinc/50/84/46/507508446.db2.gz HJVACIJSLDBLGN-SFHVURJKSA-N 1 1 358.461 3.381 20 30 FGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000598594781 507510420 /nfs/dbraw/zinc/51/04/20/507510420.db2.gz JSSFSHBMYHRXTG-IFMALSPDSA-N 1 1 355.526 3.275 20 30 FGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000598594781 507510425 /nfs/dbraw/zinc/51/04/25/507510425.db2.gz JSSFSHBMYHRXTG-IFMALSPDSA-N 1 1 355.526 3.275 20 30 FGEDMO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598596083 507510903 /nfs/dbraw/zinc/51/09/03/507510903.db2.gz HNHHESXPUUDIRL-YYWHXJBOSA-N 1 1 372.557 3.223 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCc2ccc(C#N)cc2)C1 ZINC000595464263 507511509 /nfs/dbraw/zinc/51/15/09/507511509.db2.gz HXSZASJVWSXXNY-DYESRHJHSA-N 1 1 362.477 3.235 20 30 FGEDMO N#Cc1ccc(CCNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000595464433 507511544 /nfs/dbraw/zinc/51/15/44/507511544.db2.gz GPOACGOXORGSBQ-NRFANRHFSA-N 1 1 362.477 3.065 20 30 FGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000598597327 507512078 /nfs/dbraw/zinc/51/20/78/507512078.db2.gz ZNJWVHWGTTUDON-DOTOQJQBSA-N 1 1 372.444 3.356 20 30 FGEDMO Cc1sc(NC(=O)C[NH2+][C@H](CCO)c2ccccc2F)c(C#N)c1C ZINC000592159824 507517533 /nfs/dbraw/zinc/51/75/33/507517533.db2.gz HBGYZBHRBGZMAK-MRXNPFEDSA-N 1 1 361.442 3.028 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCc1ccc(C#N)cc1 ZINC000595505527 507534715 /nfs/dbraw/zinc/53/47/15/507534715.db2.gz SOUWIZOHNQLHRP-GOSISDBHSA-N 1 1 362.477 3.017 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCc1ccc(C#N)cc1 ZINC000595505527 507534724 /nfs/dbraw/zinc/53/47/24/507534724.db2.gz SOUWIZOHNQLHRP-GOSISDBHSA-N 1 1 362.477 3.017 20 30 FGEDMO CC(C)n1cc(C2=CCC[N@@H+](CCCC3(C#N)CCOCC3)CC2)nn1 ZINC000595527538 507545274 /nfs/dbraw/zinc/54/52/74/507545274.db2.gz UYZXTEXHCXEDRW-UHFFFAOYSA-N 1 1 357.502 3.439 20 30 FGEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000602093920 507588918 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351.425 3.339 20 30 FGEDMO COc1cccc([C@]2(C)CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)c1 ZINC000595770496 507677236 /nfs/dbraw/zinc/67/72/36/507677236.db2.gz WJPMULRECGUMJA-MAODMQOUSA-N 1 1 357.498 3.102 20 30 FGEDMO COc1cccc([C@]2(C)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)c1 ZINC000595770496 507677243 /nfs/dbraw/zinc/67/72/43/507677243.db2.gz WJPMULRECGUMJA-MAODMQOUSA-N 1 1 357.498 3.102 20 30 FGEDMO CCC[N@@H+](C)[C@H](CNC(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000586823735 507684832 /nfs/dbraw/zinc/68/48/32/507684832.db2.gz NOEIQJNCZXOTIX-GOSISDBHSA-N 1 1 356.857 3.420 20 30 FGEDMO COc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)ccc1OCc1ccc(F)cc1 ZINC000592523573 507692510 /nfs/dbraw/zinc/69/25/10/507692510.db2.gz OSBIXTMXTARGAW-NRFANRHFSA-N 1 1 370.424 3.264 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)ccc1OCc1ccc(F)cc1 ZINC000592523573 507692515 /nfs/dbraw/zinc/69/25/15/507692515.db2.gz OSBIXTMXTARGAW-NRFANRHFSA-N 1 1 370.424 3.264 20 30 FGEDMO N#CC[C@]1(O)CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000592521689 507693464 /nfs/dbraw/zinc/69/34/64/507693464.db2.gz AOFRSPLJZRGAPC-NRFANRHFSA-N 1 1 350.466 3.076 20 30 FGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000592521689 507693470 /nfs/dbraw/zinc/69/34/70/507693470.db2.gz AOFRSPLJZRGAPC-NRFANRHFSA-N 1 1 350.466 3.076 20 30 FGEDMO COc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)ccc1OCc1ccccc1 ZINC000592524266 507694549 /nfs/dbraw/zinc/69/45/49/507694549.db2.gz WTNMBVNWDKTJQD-NRFANRHFSA-N 1 1 352.434 3.125 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)ccc1OCc1ccccc1 ZINC000592524266 507694554 /nfs/dbraw/zinc/69/45/54/507694554.db2.gz WTNMBVNWDKTJQD-NRFANRHFSA-N 1 1 352.434 3.125 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1Cl ZINC000595821775 507699928 /nfs/dbraw/zinc/69/99/28/507699928.db2.gz FWHFJXGFPYOQTR-UHFFFAOYSA-N 1 1 373.884 3.431 20 30 FGEDMO N#C[C@@]1(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCSC1 ZINC000611488219 507704766 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FGEDMO N#Cc1cc(O)cc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000587992482 507727222 /nfs/dbraw/zinc/72/72/22/507727222.db2.gz NPPDIQFFGSLHFJ-QFIPXVFZSA-N 1 1 361.445 3.002 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)s1 ZINC000595915462 507742308 /nfs/dbraw/zinc/74/23/08/507742308.db2.gz ZQMWPTWEUQMDAJ-MRXNPFEDSA-N 1 1 355.463 3.375 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)s1 ZINC000595916055 507742563 /nfs/dbraw/zinc/74/25/63/507742563.db2.gz SONVLKFLFRRASL-CQSZACIVSA-N 1 1 359.426 3.320 20 30 FGEDMO COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)s1 ZINC000595916055 507742575 /nfs/dbraw/zinc/74/25/75/507742575.db2.gz SONVLKFLFRRASL-CQSZACIVSA-N 1 1 359.426 3.320 20 30 FGEDMO Cc1cc(C)c2ncc(C#N)c(N3C[C@H]([NH+]4CCOCC4)C[C@H]3C)c2c1 ZINC000588070226 507752055 /nfs/dbraw/zinc/75/20/55/507752055.db2.gz SFSJDYUAHGYUJB-SJLPKXTDSA-N 1 1 350.466 3.023 20 30 FGEDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(C#N)cnc2ccc(Cl)cc21 ZINC000588070189 507752152 /nfs/dbraw/zinc/75/21/52/507752152.db2.gz MAPNFPPLQZSFGQ-CJNGLKHVSA-N 1 1 356.857 3.059 20 30 FGEDMO Cc1cc(=NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[nH]n1CCC#N ZINC000540816688 562593783 /nfs/dbraw/zinc/59/37/83/562593783.db2.gz XXHPWRIUCMEJQL-AEFFLSMTSA-N 1 1 366.469 3.062 20 30 FGEDMO C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000636825732 568119007 /nfs/dbraw/zinc/11/90/07/568119007.db2.gz DYAQQNGCBPUNDO-HNNXBMFYSA-N 1 1 368.481 3.076 20 30 FGEDMO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735426621 598617589 /nfs/dbraw/zinc/61/75/89/598617589.db2.gz SZTIAGBHTPLZPQ-NRFANRHFSA-N 1 1 374.492 3.129 20 30 FGEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000735426621 598617591 /nfs/dbraw/zinc/61/75/91/598617591.db2.gz SZTIAGBHTPLZPQ-NRFANRHFSA-N 1 1 374.492 3.129 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000735426621 598617593 /nfs/dbraw/zinc/61/75/93/598617593.db2.gz SZTIAGBHTPLZPQ-NRFANRHFSA-N 1 1 374.492 3.129 20 30 FGEDMO C=CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)CC1CCCCC1 ZINC000819740308 607450518 /nfs/dbraw/zinc/45/05/18/607450518.db2.gz XNNIDSXNYBFHIV-UHFFFAOYSA-N 1 1 372.473 3.083 20 30 FGEDMO Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738771015 600595089 /nfs/dbraw/zinc/59/50/89/600595089.db2.gz LJBMKVOQGGOKRP-OAQYLSRUSA-N 1 1 363.461 3.247 20 30 FGEDMO C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827951338 601304861 /nfs/dbraw/zinc/30/48/61/601304861.db2.gz XBNZUHDXTNMKEO-IIBYNOLFSA-N 1 1 363.461 3.499 20 30 FGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821110138 607057562 /nfs/dbraw/zinc/05/75/62/607057562.db2.gz XDCOTULSCBWBLQ-UHFFFAOYSA-N 1 1 350.401 3.290 20 30 FGEDMO N#Cc1cc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)ccc1F ZINC000826383838 608462758 /nfs/dbraw/zinc/46/27/58/608462758.db2.gz SNPBHUWMAVJEHL-UHFFFAOYSA-N 1 1 360.396 3.167 20 30 FGEDMO N#Cc1cc(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)ccc1F ZINC000826383838 608462760 /nfs/dbraw/zinc/46/27/60/608462760.db2.gz SNPBHUWMAVJEHL-UHFFFAOYSA-N 1 1 360.396 3.167 20 30 FGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000824261447 608569600 /nfs/dbraw/zinc/56/96/00/608569600.db2.gz KGLZXWYXSDHUNF-UHFFFAOYSA-N 1 1 352.467 3.458 20 30 FGEDMO C=CC[N@@H+](Cc1cn(C)nc1C(C)(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914968 608582108 /nfs/dbraw/zinc/58/21/08/608582108.db2.gz QFVOYLIQWAOOLL-UHFFFAOYSA-N 1 1 365.485 3.086 20 30 FGEDMO C=CC[N@H+](Cc1cn(C)nc1C(C)(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914968 608582110 /nfs/dbraw/zinc/58/21/10/608582110.db2.gz QFVOYLIQWAOOLL-UHFFFAOYSA-N 1 1 365.485 3.086 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000826379747 608749478 /nfs/dbraw/zinc/74/94/78/608749478.db2.gz ADSNZOLPSWQCKZ-IRXDYDNUSA-N 1 1 350.451 3.200 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(-c2nn[nH]n2)cs1 ZINC000826379747 608749479 /nfs/dbraw/zinc/74/94/79/608749479.db2.gz ADSNZOLPSWQCKZ-IRXDYDNUSA-N 1 1 350.451 3.200 20 30 FGEDMO CC(N=Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000823958801 609515747 /nfs/dbraw/zinc/51/57/47/609515747.db2.gz XGCJNZKJQXDWRM-SFHVURJKSA-N 1 1 361.453 3.177 20 30 FGEDMO CC1CC[NH+](CC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000543021003 673620962 /nfs/dbraw/zinc/62/09/62/673620962.db2.gz QSECOGAILCDMPN-UHFFFAOYSA-N 1 1 357.845 3.068 20 30 FGEDMO N#CCSc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021706769 695647340 /nfs/dbraw/zinc/64/73/40/695647340.db2.gz JBSCGQAXEWXZPS-UHFFFAOYSA-N 1 1 351.475 3.260 20 30 FGEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)ON=C(N)C[N@H+]1CCCC[C@@H]1C ZINC000113250146 700569813 /nfs/dbraw/zinc/56/98/13/700569813.db2.gz LBKZDOLILHHSRT-JSGCOSHPSA-N 1 1 366.893 3.139 20 30 FGEDMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)ON=C(N)C[N@H+]1CCCC[C@@H]1C ZINC000113250204 700569938 /nfs/dbraw/zinc/56/99/38/700569938.db2.gz WYIPAKHWEVUWDU-KBPBESRZSA-N 1 1 366.893 3.139 20 30 FGEDMO C[C@@H]1SCC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H]1C ZINC000118415176 700610384 /nfs/dbraw/zinc/61/03/84/700610384.db2.gz FGOFUEGXGGIGFY-KCQAQPDRSA-N 1 1 352.463 3.049 20 30 FGEDMO C#CCSCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121492885 700673694 /nfs/dbraw/zinc/67/36/94/700673694.db2.gz ZIQZVLKDFZWIFZ-IEBWSBKVSA-N 1 1 359.539 3.047 20 30 FGEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000121677841 700677815 /nfs/dbraw/zinc/67/78/15/700677815.db2.gz ULHXQWZSJMYBBI-WOJBJXKFSA-N 1 1 355.869 3.256 20 30 FGEDMO C=C(Br)C[NH2+][C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000125117052 700730501 /nfs/dbraw/zinc/73/05/01/700730501.db2.gz YNIMFDREHIJRBA-CQSZACIVSA-N 1 1 355.276 3.103 20 30 FGEDMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1cccc(Cl)n1 ZINC000131565227 700816828 /nfs/dbraw/zinc/81/68/28/700816828.db2.gz UIPMKIXEHRSTRJ-LLVKDONJSA-N 1 1 356.854 3.027 20 30 FGEDMO C#CC[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)C1CCCC1 ZINC000155906591 705094972 /nfs/dbraw/zinc/09/49/72/705094972.db2.gz BOBMGEPIDOSVRO-LJQANCHMSA-N 1 1 353.491 3.227 20 30 FGEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c(O)c(OC)c1 ZINC000164461602 705329227 /nfs/dbraw/zinc/32/92/27/705329227.db2.gz HQBJEGXEYHBJBH-VWLOTQADSA-N 1 1 359.491 3.499 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@H](COCCOC)C1 ZINC000173394528 705457181 /nfs/dbraw/zinc/45/71/81/705457181.db2.gz IACDCAPMHQPMAZ-INIZCTEOSA-N 1 1 361.511 3.257 20 30 FGEDMO C=C(Br)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175454472 705547801 /nfs/dbraw/zinc/54/78/01/705547801.db2.gz UKYMPINKORSAIS-ZBFHGGJFSA-N 1 1 366.303 3.247 20 30 FGEDMO C=CCc1cc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)c(O)c(OC)c1 ZINC000189877691 712802878 /nfs/dbraw/zinc/80/28/78/712802878.db2.gz HIXCYZNEMIPRLW-KRWDZBQOSA-N 1 1 359.495 3.153 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)c(O)c(OC)c1 ZINC000189877691 712802879 /nfs/dbraw/zinc/80/28/79/712802879.db2.gz HIXCYZNEMIPRLW-KRWDZBQOSA-N 1 1 359.495 3.153 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246411882 713623529 /nfs/dbraw/zinc/62/35/29/713623529.db2.gz BFOYFVCEGBOXFJ-DLBZAZTESA-N 1 1 363.527 3.178 20 30 FGEDMO N#CCCNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000426450923 714018844 /nfs/dbraw/zinc/01/88/44/714018844.db2.gz OQKRHZXLAOTHFZ-KRWDZBQOSA-N 1 1 354.479 3.060 20 30 FGEDMO N#CCCNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000426450923 714018850 /nfs/dbraw/zinc/01/88/50/714018850.db2.gz OQKRHZXLAOTHFZ-KRWDZBQOSA-N 1 1 354.479 3.060 20 30 FGEDMO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCCCC2 ZINC000521938272 714157960 /nfs/dbraw/zinc/15/79/60/714157960.db2.gz WCWMCZXNHKPPHC-MRXNPFEDSA-N 1 1 361.511 3.019 20 30 FGEDMO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCCCC2 ZINC000521938272 714157963 /nfs/dbraw/zinc/15/79/63/714157963.db2.gz WCWMCZXNHKPPHC-MRXNPFEDSA-N 1 1 361.511 3.019 20 30 FGEDMO CCc1ccc(C[NH+]2CCN(CCOc3cccc(C#N)c3)CC2)s1 ZINC000523438451 714234527 /nfs/dbraw/zinc/23/45/27/714234527.db2.gz BGUHHOXELHTZNT-UHFFFAOYSA-N 1 1 355.507 3.379 20 30 FGEDMO COC(=O)c1csc(-c2cccc(C[NH2+]Cc3nc(C#N)cs3)c2)n1 ZINC000577328017 714463634 /nfs/dbraw/zinc/46/36/34/714463634.db2.gz QEYRFGPDRQJVQV-UHFFFAOYSA-N 1 1 370.459 3.215 20 30 FGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000615806913 714550517 /nfs/dbraw/zinc/55/05/17/714550517.db2.gz RJNBCNVXKYLUIP-HOCLYGCPSA-N 1 1 356.388 3.155 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619828114 714873936 /nfs/dbraw/zinc/87/39/36/714873936.db2.gz LYNMHPGDDSENFE-MRXNPFEDSA-N 1 1 360.889 3.085 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000779147634 724395380 /nfs/dbraw/zinc/39/53/80/724395380.db2.gz IPGIKXKKVLAAEU-UHFFFAOYSA-N 1 1 360.885 3.186 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC(F)(F)CC2)c(OC)c1 ZINC000625767231 715786304 /nfs/dbraw/zinc/78/63/04/715786304.db2.gz OTJMULMWWVOPNC-MRXNPFEDSA-N 1 1 355.425 3.285 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000801921478 724345891 /nfs/dbraw/zinc/34/58/91/724345891.db2.gz DWLVXARYIIPYGK-WFASDCNBSA-N 1 1 370.234 3.357 20 30 FGEDMO N#Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc2ccccc12 ZINC001164732498 720436562 /nfs/dbraw/zinc/43/65/62/720436562.db2.gz NUSHVOYBCVYNNK-RTWAWAEBSA-N 1 1 355.445 3.355 20 30 FGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000665391032 720764186 /nfs/dbraw/zinc/76/41/86/720764186.db2.gz VFKJUALADFJXCJ-MSOLQXFVSA-N 1 1 351.535 3.121 20 30 FGEDMO C=CCNc1ncc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)s1 ZINC000676337829 721796273 /nfs/dbraw/zinc/79/62/73/721796273.db2.gz BODPPDMHCJJWCT-UHFFFAOYSA-N 1 1 353.451 3.165 20 30 FGEDMO COCC#CCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000677819734 721917716 /nfs/dbraw/zinc/91/77/16/721917716.db2.gz OGEGIMAUJOQFPI-UHFFFAOYSA-N 1 1 354.416 3.251 20 30 FGEDMO C=CCn1c(-c2ccco2)nn(CN2CCC[N@H+](C(C)C)CC2)c1=S ZINC000727823561 722447739 /nfs/dbraw/zinc/44/77/39/722447739.db2.gz MDTBSNCLJNJYCR-UHFFFAOYSA-N 1 1 361.515 3.234 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000729811975 722462778 /nfs/dbraw/zinc/46/27/78/722462778.db2.gz ICMLAMHHYFTGNJ-KRWDZBQOSA-N 1 1 357.841 3.089 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000729811975 722462779 /nfs/dbraw/zinc/46/27/79/722462779.db2.gz ICMLAMHHYFTGNJ-KRWDZBQOSA-N 1 1 357.841 3.089 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000730544672 722469059 /nfs/dbraw/zinc/46/90/59/722469059.db2.gz YBAFRESIFOOUAE-UHFFFAOYSA-N 1 1 361.898 3.050 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1ncnc2sccc21 ZINC000734363758 722506438 /nfs/dbraw/zinc/50/64/38/722506438.db2.gz PADNPWCCPWAJQY-CYBMUJFWSA-N 1 1 352.467 3.396 20 30 FGEDMO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735311646 722514966 /nfs/dbraw/zinc/51/49/66/722514966.db2.gz TXADXBHVZPDYRD-SFHVURJKSA-N 1 1 360.841 3.416 20 30 FGEDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735311646 722514967 /nfs/dbraw/zinc/51/49/67/722514967.db2.gz TXADXBHVZPDYRD-SFHVURJKSA-N 1 1 360.841 3.416 20 30 FGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310319 722515026 /nfs/dbraw/zinc/51/50/26/722515026.db2.gz YNLMBSCOMMLXJV-HNNXBMFYSA-N 1 1 363.889 3.227 20 30 FGEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310319 722515027 /nfs/dbraw/zinc/51/50/27/722515027.db2.gz YNLMBSCOMMLXJV-HNNXBMFYSA-N 1 1 363.889 3.227 20 30 FGEDMO C#CCOc1ccc(Br)cc1CNCC[N@@H+]1CCC[C@@H]1C ZINC000742387880 722556797 /nfs/dbraw/zinc/55/67/97/722556797.db2.gz XXOOSYXFCPUFKE-AWEZNQCLSA-N 1 1 351.288 3.035 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]CCN1CCC[C@@H]1C ZINC000742387880 722556798 /nfs/dbraw/zinc/55/67/98/722556798.db2.gz XXOOSYXFCPUFKE-AWEZNQCLSA-N 1 1 351.288 3.035 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000744370938 722576265 /nfs/dbraw/zinc/57/62/65/722576265.db2.gz GGDZVJIZGZVHOY-UHFFFAOYSA-N 1 1 369.292 3.320 20 30 FGEDMO C=C(C)CNC(=S)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000747721029 722658171 /nfs/dbraw/zinc/65/81/71/722658171.db2.gz JZTFDXWBHYQVCV-VQIMIIECSA-N 1 1 360.571 3.373 20 30 FGEDMO C=C(C)CNC(=S)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000747721029 722658173 /nfs/dbraw/zinc/65/81/73/722658173.db2.gz JZTFDXWBHYQVCV-VQIMIIECSA-N 1 1 360.571 3.373 20 30 FGEDMO C[N@@H+](CCNC(=O)c1ccccc1SCC#N)Cc1ccc(F)cc1 ZINC000748748286 722702905 /nfs/dbraw/zinc/70/29/05/722702905.db2.gz YVIGGKMQZLRVNC-UHFFFAOYSA-N 1 1 357.454 3.303 20 30 FGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000748989488 722712006 /nfs/dbraw/zinc/71/20/06/722712006.db2.gz MBTRSAQHHJHZEE-CQSZACIVSA-N 1 1 361.276 3.422 20 30 FGEDMO NC(=[NH+]OCc1ccc(Br)s1)c1ccc2c(c1)CCO2 ZINC000753831083 722915087 /nfs/dbraw/zinc/91/50/87/722915087.db2.gz WYSQDPWLBYIRLG-UHFFFAOYSA-N 1 1 353.241 3.283 20 30 FGEDMO Clc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c(Br)c1 ZINC000753939828 722919068 /nfs/dbraw/zinc/91/90/68/722919068.db2.gz 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362.779 3.378 20 30 FGEDMO Cc1ccc([C@H](O)C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000769919619 723700907 /nfs/dbraw/zinc/70/09/07/723700907.db2.gz BNPWUTHRYSOCTO-HXUWFJFHSA-N 1 1 355.869 3.376 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NNC(=S)NCC(F)(F)F)CC1 ZINC000797787008 723860903 /nfs/dbraw/zinc/86/09/03/723860903.db2.gz WVCZALQSNIULMS-UHFFFAOYSA-N 1 1 372.460 3.443 20 30 FGEDMO C#CCC[C@@H](O)CNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000798418825 723930783 /nfs/dbraw/zinc/93/07/83/723930783.db2.gz PISBKXCBGLYMPD-OAHLLOKOSA-N 1 1 358.511 3.090 20 30 FGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccccc1I)[C@@H]1CCCO1 ZINC000775571933 724001936 /nfs/dbraw/zinc/00/19/36/724001936.db2.gz MZEQLWNBELXSBJ-CQDKDKBSSA-N 1 1 355.219 3.123 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000775663546 724019046 /nfs/dbraw/zinc/01/90/46/724019046.db2.gz MVTZGWBLXYQKMP-UHFFFAOYSA-N 1 1 369.690 3.064 20 30 FGEDMO C#CCCNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000776911759 724195327 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CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000805762328 725092378 /nfs/dbraw/zinc/09/23/78/725092378.db2.gz PYWHGODULXQIGB-QGZVFWFLSA-N 1 1 351.491 3.030 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000805804904 725097884 /nfs/dbraw/zinc/09/78/84/725097884.db2.gz WAAJZHSOPVQHEA-HOTGVXAUSA-N 1 1 351.491 3.074 20 30 FGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC000809637676 725254840 /nfs/dbraw/zinc/25/48/40/725254840.db2.gz YWOOJQFMDLXDKF-FQEVSTJZSA-N 1 1 354.475 3.074 20 30 FGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 ZINC000809637676 725254842 /nfs/dbraw/zinc/25/48/42/725254842.db2.gz YWOOJQFMDLXDKF-FQEVSTJZSA-N 1 1 354.475 3.074 20 30 FGEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000810784704 725327526 /nfs/dbraw/zinc/32/75/26/725327526.db2.gz MRFWMRAGGZRLAI-PZJWPPBQSA-N 1 1 352.865 3.425 20 30 FGEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000810784704 725327529 /nfs/dbraw/zinc/32/75/29/725327529.db2.gz MRFWMRAGGZRLAI-PZJWPPBQSA-N 1 1 352.865 3.425 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000811502566 725369957 /nfs/dbraw/zinc/36/99/57/725369957.db2.gz AQGWOGGSNBOURK-UHFFFAOYSA-N 1 1 362.499 3.238 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3nc(C#N)cs3)C2)CC1 ZINC000811502566 725369958 /nfs/dbraw/zinc/36/99/58/725369958.db2.gz AQGWOGGSNBOURK-UHFFFAOYSA-N 1 1 362.499 3.238 20 30 FGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000811514251 725371865 /nfs/dbraw/zinc/37/18/65/725371865.db2.gz GFJUUIWEHZJRDG-CQSZACIVSA-N 1 1 356.388 3.142 20 30 FGEDMO C#C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccc(Cl)cc1F ZINC000811991263 725386861 /nfs/dbraw/zinc/38/68/61/725386861.db2.gz HIUYJFQGVZAAJU-CVEARBPZSA-N 1 1 363.820 3.349 20 30 FGEDMO C=CCCCCCCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000812492194 725398326 /nfs/dbraw/zinc/39/83/26/725398326.db2.gz BAHNYKAKVZGZTB-LJQANCHMSA-N 1 1 351.535 3.409 20 30 FGEDMO C#CCNC(=O)CC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000815084359 727034615 /nfs/dbraw/zinc/03/46/15/727034615.db2.gz CWVSESTTXCKUCK-IAGOWNOFSA-N 1 1 352.400 3.413 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H](OCC)[C@H]1n1cccn1 ZINC000815167212 727047570 /nfs/dbraw/zinc/04/75/70/727047570.db2.gz UXHDBNRAZQNONN-NEWSRXKRSA-N 1 1 359.857 3.057 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000818602985 727316385 /nfs/dbraw/zinc/31/63/85/727316385.db2.gz KWNGXKHJBHCILM-SDXDJHTJSA-N 1 1 356.466 3.499 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1sc(-c2cccc(Cl)c2)nc1C ZINC000818615762 727316987 /nfs/dbraw/zinc/31/69/87/727316987.db2.gz VMTQFVUWFHUETM-UHFFFAOYSA-N 1 1 361.898 3.457 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CCC[N@H+](C)C2)s1 ZINC000819246674 727361245 /nfs/dbraw/zinc/36/12/45/727361245.db2.gz DBPUQODCKYFLFZ-LBPRGKRZSA-N 1 1 359.948 3.049 20 30 FGEDMO C#C[C@H](NC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1F ZINC000820755925 729026913 /nfs/dbraw/zinc/02/69/13/729026913.db2.gz UHHGRHICKZOGJU-YOEHRIQHSA-N 1 1 351.853 3.279 20 30 FGEDMO COc1ccc(Cc2noc([C@H]([NH3+])CCCC#N)n2)c(Cl)c1OC ZINC000822946589 729235096 /nfs/dbraw/zinc/23/50/96/729235096.db2.gz FSAVPYMHYHZNIN-LLVKDONJSA-N 1 1 350.806 3.025 20 30 FGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)cc1 ZINC000825117517 729371519 /nfs/dbraw/zinc/37/15/19/729371519.db2.gz GCFIEDQRRHLTIB-LSDHHAIUSA-N 1 1 355.404 3.293 20 30 FGEDMO C#C[C@H]([NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CCOCC1 ZINC000827564225 729431817 /nfs/dbraw/zinc/43/18/17/729431817.db2.gz AEBYSMPEJRHQSZ-INIZCTEOSA-N 1 1 365.264 3.092 20 30 FGEDMO O=C(N1C[C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]2C1)C(F)(F)F ZINC000831573184 729652196 /nfs/dbraw/zinc/65/21/96/729652196.db2.gz YFLUYTOHNZWBOC-GJZGRUSLSA-N 1 1 370.802 3.034 20 30 FGEDMO CCC#C[C@@H](C)[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2 ZINC000832030833 729683966 /nfs/dbraw/zinc/68/39/66/729683966.db2.gz RHCHMCOQUGDAEG-SJORKVTESA-N 1 1 350.503 3.042 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)N[C@H](CC(F)(F)F)c1ccccc1C ZINC000836490178 729957572 /nfs/dbraw/zinc/95/75/72/729957572.db2.gz MFEYAJDMPYVTKF-MRXNPFEDSA-N 1 1 355.404 3.243 20 30 FGEDMO O=C(C#CC1CC1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000837348287 730020057 /nfs/dbraw/zinc/02/00/57/730020057.db2.gz MBGYDTRFNNJSON-LJQANCHMSA-N 1 1 350.487 3.377 20 30 FGEDMO O=C(C#CC1CC1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000837348287 730020060 /nfs/dbraw/zinc/02/00/60/730020060.db2.gz MBGYDTRFNNJSON-LJQANCHMSA-N 1 1 350.487 3.377 20 30 FGEDMO C=C(C)CONC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000845605259 730870743 /nfs/dbraw/zinc/87/07/43/730870743.db2.gz IWUNBQYFSLMKQU-DLBZAZTESA-N 1 1 353.413 3.296 20 30 FGEDMO C=C(C)CONC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000845605259 730870749 /nfs/dbraw/zinc/87/07/49/730870749.db2.gz IWUNBQYFSLMKQU-DLBZAZTESA-N 1 1 353.413 3.296 20 30 FGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852410188 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3.081 20 30 FGEDMO COc1ccc(OCC[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000173498523 495559536 /nfs/dbraw/zinc/55/95/36/495559536.db2.gz LXNFFCJSWMTYEO-UHFFFAOYSA-N 1 1 364.405 3.128 20 30 FGEDMO COc1ccc(OCC[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000173498523 495559539 /nfs/dbraw/zinc/55/95/39/495559539.db2.gz LXNFFCJSWMTYEO-UHFFFAOYSA-N 1 1 364.405 3.128 20 30 FGEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@H]2CCCC[C@H]12 ZINC000182480352 495579188 /nfs/dbraw/zinc/57/91/88/495579188.db2.gz POXBRJQKHHCBAO-LZQZEXGQSA-N 1 1 363.465 3.193 20 30 FGEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000176394455 495635657 /nfs/dbraw/zinc/63/56/57/495635657.db2.gz HBJVDEYNWQKCAU-CALCHBBNSA-N 1 1 370.497 3.301 20 30 FGEDMO C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712888 495693067 /nfs/dbraw/zinc/69/30/67/495693067.db2.gz ICVVGFHSBWSBKP-ZBFHGGJFSA-N 1 1 374.916 3.393 20 30 FGEDMO C[C@H](NCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720614 495697585 /nfs/dbraw/zinc/69/75/85/495697585.db2.gz ZFHKCLTXIXHMLF-RBUKOAKNSA-N 1 1 368.525 3.176 20 30 FGEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000574549184 505798971 /nfs/dbraw/zinc/79/89/71/505798971.db2.gz OXMRBPCCDMBVJB-FXAWDEMLSA-N 1 1 354.498 3.355 20 30 FGEDMO Cc1sc(NC(=O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185754599 495713054 /nfs/dbraw/zinc/71/30/54/495713054.db2.gz AZFBOWHFVLZUSP-GOEBONIOSA-N 1 1 374.554 3.418 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182815181 495713846 /nfs/dbraw/zinc/71/38/46/495713846.db2.gz JAXUTESFEFLHQV-GJZGRUSLSA-N 1 1 372.435 3.352 20 30 FGEDMO N#CCSCCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173860101 495722946 /nfs/dbraw/zinc/72/29/46/495722946.db2.gz OPBZFUNAVXKLBJ-UHFFFAOYSA-N 1 1 371.428 3.110 20 30 FGEDMO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C#N)C3CCCCC3)cc2F)CC1 ZINC000176623898 495724870 /nfs/dbraw/zinc/72/48/70/495724870.db2.gz 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CC(C)[N@H+]1CCC[C@H](CNCc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180171719 495890653 /nfs/dbraw/zinc/89/06/53/495890653.db2.gz DJWZRWAOBSWGPX-GOSISDBHSA-N 1 1 351.498 3.169 20 30 FGEDMO C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183239265 495892672 /nfs/dbraw/zinc/89/26/72/495892672.db2.gz OQBWURMHHXVILO-TZIWHRDSSA-N 1 1 358.482 3.072 20 30 FGEDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194805 495900201 /nfs/dbraw/zinc/90/02/01/495900201.db2.gz JCKLUZZFLPFKDQ-UZLBHIALSA-N 1 1 351.498 3.121 20 30 FGEDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194805 495900205 /nfs/dbraw/zinc/90/02/05/495900205.db2.gz JCKLUZZFLPFKDQ-UZLBHIALSA-N 1 1 351.498 3.121 20 30 FGEDMO CCN1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194805 495900207 /nfs/dbraw/zinc/90/02/07/495900207.db2.gz JCKLUZZFLPFKDQ-UZLBHIALSA-N 1 1 351.498 3.121 20 30 FGEDMO CCN1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 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COc1ccccc1[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000158121216 496631875 /nfs/dbraw/zinc/63/18/75/496631875.db2.gz SODIZKHFLGPYOS-QGZVFWFLSA-N 1 1 355.482 3.169 20 30 FGEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@]4(C3)CCc3ccccc3O4)C2=O)cc1 ZINC000571962778 505856223 /nfs/dbraw/zinc/85/62/23/505856223.db2.gz APQYTWQWLXLVPB-NFBKMPQASA-N 1 1 373.456 3.133 20 30 FGEDMO Cc1ccc(N2CCC(NC(=O)N(C)Cc3cccc(C#N)c3)CC2)[nH+]c1 ZINC000173369865 496661886 /nfs/dbraw/zinc/66/18/86/496661886.db2.gz QONANKBTYYOANA-UHFFFAOYSA-N 1 1 363.465 3.072 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000188056467 496664879 /nfs/dbraw/zinc/66/48/79/496664879.db2.gz JMSFUNZQUIFUGA-AEFFLSMTSA-N 1 1 371.525 3.418 20 30 FGEDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@@H]1C ZINC000188111320 496687369 /nfs/dbraw/zinc/68/73/69/496687369.db2.gz CPJJDSNDXLLIRA-RDJZCZTQSA-N 1 1 360.454 3.009 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000185298664 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Cc1nsc(N2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)c1C#N ZINC000329770487 497896334 /nfs/dbraw/zinc/89/63/34/497896334.db2.gz GBMJXXVRQBRADW-INIZCTEOSA-N 1 1 360.527 3.327 20 30 FGEDMO Cc1ccc([C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280790297 497898880 /nfs/dbraw/zinc/89/88/80/497898880.db2.gz JMQMKZQUHUGQPU-OXJNMPFZSA-N 1 1 372.490 3.161 20 30 FGEDMO COc1cc(C[NH2+]Cc2cn3ccc(Br)cc3n2)ccc1C#N ZINC000575221071 505945339 /nfs/dbraw/zinc/94/53/39/505945339.db2.gz BFIWZLKLVUZWAI-UHFFFAOYSA-N 1 1 371.238 3.267 20 30 FGEDMO Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000329854678 497928609 /nfs/dbraw/zinc/92/86/09/497928609.db2.gz SUQLNSQIMQMRIH-SFHVURJKSA-N 1 1 374.529 3.471 20 30 FGEDMO N#Cc1ccc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)c(F)c1 ZINC000301063273 497935177 /nfs/dbraw/zinc/93/51/77/497935177.db2.gz CKKYRFWHPUHOFB-UHFFFAOYSA-N 1 1 352.413 3.212 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc3n(n2)CCCO3)[C@@H]1c1cccs1 ZINC000329877147 497937635 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499015939 /nfs/dbraw/zinc/01/59/39/499015939.db2.gz QYXHMQYCOBGPBP-KLHJMIIUSA-N 1 1 370.497 3.107 20 30 FGEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCO[C@H]2c2ccc(F)cc2)C1 ZINC000329057117 499027556 /nfs/dbraw/zinc/02/75/56/499027556.db2.gz SWDFGCPMBZSEHG-AYBZRNKSSA-N 1 1 363.477 3.139 20 30 FGEDMO CC(=O)N1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000329090200 499038286 /nfs/dbraw/zinc/03/82/86/499038286.db2.gz IXEPSEAIGHOXGC-CTNGQTDRSA-N 1 1 357.498 3.399 20 30 FGEDMO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000329115340 499046669 /nfs/dbraw/zinc/04/66/69/499046669.db2.gz MQLJHBNOZPZQPW-QWFCFKBJSA-N 1 1 362.445 3.085 20 30 FGEDMO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000329115340 499046675 /nfs/dbraw/zinc/04/66/75/499046675.db2.gz MQLJHBNOZPZQPW-QWFCFKBJSA-N 1 1 362.445 3.085 20 30 FGEDMO Cc1cnn(CC2CC[NH+]([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000329196656 499068358 /nfs/dbraw/zinc/06/83/58/499068358.db2.gz 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SHOAPDCANGUJSG-QLTJYVKOSA-N 1 1 364.405 3.418 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)cc1OC ZINC000425971153 500219203 /nfs/dbraw/zinc/21/92/03/500219203.db2.gz MVUSZNPEJMCXJJ-OCCSQVGLSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc1OC ZINC000425971153 500219205 /nfs/dbraw/zinc/21/92/05/500219205.db2.gz MVUSZNPEJMCXJJ-OCCSQVGLSA-N 1 1 370.287 3.225 20 30 FGEDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000431143439 500340874 /nfs/dbraw/zinc/34/08/74/500340874.db2.gz JZWBHCJYGPLQKZ-UHFFFAOYSA-N 1 1 370.424 3.324 20 30 FGEDMO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000428351198 500499046 /nfs/dbraw/zinc/49/90/46/500499046.db2.gz NHEWGGJNSFIQCS-INIZCTEOSA-N 1 1 365.433 3.257 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000420814067 500507803 /nfs/dbraw/zinc/50/78/03/500507803.db2.gz WKTCAFVYLZNINZ-NVXWUHKLSA-N 1 1 368.506 3.472 20 30 FGEDMO CC(C)[C@@H](CNC(=O)c1cscc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000432404921 500511510 /nfs/dbraw/zinc/51/15/10/500511510.db2.gz VSSJPXYMHYBQAG-LJQANCHMSA-N 1 1 353.491 3.432 20 30 FGEDMO Cc1ccc([C@@]2(C)CC[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000432519140 500526220 /nfs/dbraw/zinc/52/62/20/500526220.db2.gz MDSWQJYHZAAYIS-REWPJTCUSA-N 1 1 373.456 3.162 20 30 FGEDMO COCCOc1ccccc1N1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000442672885 500610221 /nfs/dbraw/zinc/61/02/21/500610221.db2.gz PJCUYUOUHCNQQG-SFHVURJKSA-N 1 1 365.477 3.467 20 30 FGEDMO C[N@@H+](CCNC(=O)c1cc(-c2cccc(C#N)c2)no1)C1CCCCC1 ZINC000447478392 500610944 /nfs/dbraw/zinc/61/09/44/500610944.db2.gz BFJFIGAVLTWPJF-UHFFFAOYSA-N 1 1 352.438 3.208 20 30 FGEDMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 ZINC000433111768 500628240 /nfs/dbraw/zinc/62/82/40/500628240.db2.gz WTNKMEHRZJSSOV-NRFANRHFSA-N 1 1 361.489 3.412 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000442893242 500642408 /nfs/dbraw/zinc/64/24/08/500642408.db2.gz XBZKCENVMMPFJV-UZLBHIALSA-N 1 1 366.461 3.349 20 30 FGEDMO C=CC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000442893305 500642522 /nfs/dbraw/zinc/64/25/22/500642522.db2.gz XTFSFUTZGLZDFM-MRXNPFEDSA-N 1 1 374.448 3.292 20 30 FGEDMO Cc1nc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)sc1C ZINC000433321513 500671703 /nfs/dbraw/zinc/67/17/03/500671703.db2.gz XYUVRAYKAPEGII-UHFFFAOYSA-N 1 1 352.467 3.222 20 30 FGEDMO Cc1cccn2cc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)nc12 ZINC000433342528 500676472 /nfs/dbraw/zinc/67/64/72/500676472.db2.gz LCOVCAMFDBOCHL-UHFFFAOYSA-N 1 1 371.448 3.105 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000437707746 500684127 /nfs/dbraw/zinc/68/41/27/500684127.db2.gz VMRAGJOAHCROOX-KURKYZTESA-N 1 1 351.535 3.167 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000447926547 500691101 /nfs/dbraw/zinc/69/11/01/500691101.db2.gz MPFDHHIIFBHRJP-VGSWGCGISA-N 1 1 366.461 3.109 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000437787797 500695736 /nfs/dbraw/zinc/69/57/36/500695736.db2.gz LZWVPYCWFLGIFY-URVUXULASA-N 1 1 371.525 3.322 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000437930537 500718122 /nfs/dbraw/zinc/71/81/22/500718122.db2.gz JHCUBWAXOZGCSX-RBUKOAKNSA-N 1 1 359.514 3.177 20 30 FGEDMO C[NH+](C)CCc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000438246344 500758860 /nfs/dbraw/zinc/75/88/60/500758860.db2.gz ZWOARYCLJNAGFG-UHFFFAOYSA-N 1 1 363.870 3.117 20 30 FGEDMO C=CCOc1ccc(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1Cl ZINC000438260984 500760407 /nfs/dbraw/zinc/76/04/07/500760407.db2.gz SJSVBRCWMARLRP-HNNXBMFYSA-N 1 1 352.906 3.182 20 30 FGEDMO O=C(NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000448456075 500761733 /nfs/dbraw/zinc/76/17/33/500761733.db2.gz HOMROEPERODEHL-UHFFFAOYSA-N 1 1 354.400 3.211 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCOCC2CC2)c1 ZINC000438521688 500796379 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20 30 FGEDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000439486479 500904781 /nfs/dbraw/zinc/90/47/81/500904781.db2.gz NXARRPNYESJCLN-OAQYLSRUSA-N 1 1 358.482 3.279 20 30 FGEDMO COCC[N@@H+](CCC(=O)Nc1cccc(F)c1C)Cc1ccc(C#N)cc1 ZINC000434905836 500911031 /nfs/dbraw/zinc/91/10/31/500911031.db2.gz TWHNQZKKRYOWEX-UHFFFAOYSA-N 1 1 369.440 3.483 20 30 FGEDMO C=CC[C@@H]1N(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CCCC1(C)C ZINC000444887129 500917828 /nfs/dbraw/zinc/91/78/28/500917828.db2.gz RNZLLWISAPHVOW-MOPGFXCFSA-N 1 1 364.578 3.035 20 30 FGEDMO COC[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)O1 ZINC000439792490 500939668 /nfs/dbraw/zinc/93/96/68/500939668.db2.gz ZZAZYQLDZCVAEK-VGSWGCGISA-N 1 1 366.461 3.373 20 30 FGEDMO COC[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)O1 ZINC000439792490 500939669 /nfs/dbraw/zinc/93/96/69/500939669.db2.gz ZZAZYQLDZCVAEK-VGSWGCGISA-N 1 1 366.461 3.373 20 30 FGEDMO C=CC[C@H]1N(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CCCC1(C)C ZINC000445151760 500949575 /nfs/dbraw/zinc/94/95/75/500949575.db2.gz UFVPTQDYEXHDMI-RBUKOAKNSA-N 1 1 364.578 3.036 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](CC)CO)cc1OC ZINC000449377020 500990013 /nfs/dbraw/zinc/99/00/13/500990013.db2.gz RAQPEQJVIXVMBJ-ZDUSSCGKSA-N 1 1 358.276 3.225 20 30 FGEDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1)C(N)=O ZINC000449408372 500996527 /nfs/dbraw/zinc/99/65/27/500996527.db2.gz JHFHKCOUAPEATA-SFHVURJKSA-N 1 1 357.498 3.483 20 30 FGEDMO C=CCc1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc(OC)c1O ZINC000449431626 501000768 /nfs/dbraw/zinc/00/07/68/501000768.db2.gz YQELCTHHOWJYGV-UGKGYDQZSA-N 1 1 371.452 3.429 20 30 FGEDMO C=CCOCC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440429309 501007929 /nfs/dbraw/zinc/00/79/29/501007929.db2.gz KOVAOVZVCSLBNR-KRWDZBQOSA-N 1 1 370.415 3.102 20 30 FGEDMO CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000440532088 501020265 /nfs/dbraw/zinc/02/02/65/501020265.db2.gz KLVNELULCNUVGX-JOCHJYFZSA-N 1 1 371.525 3.383 20 30 FGEDMO C[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[N@@H+](Cc2ccccc2)C1 ZINC000449553755 501032471 /nfs/dbraw/zinc/03/24/71/501032471.db2.gz NKIWVBGVFASVIE-SFHVURJKSA-N 1 1 359.477 3.160 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C)[C@@H](C)O1 ZINC000446067951 501068670 /nfs/dbraw/zinc/06/86/70/501068670.db2.gz GQWSDTXGLHWEPX-MGPQQGTHSA-N 1 1 361.511 3.325 20 30 FGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000441005178 501073578 /nfs/dbraw/zinc/07/35/78/501073578.db2.gz ZBTZYOTYWCTWNE-VIQWUECVSA-N 1 1 354.498 3.232 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000441005178 501073580 /nfs/dbraw/zinc/07/35/80/501073580.db2.gz ZBTZYOTYWCTWNE-VIQWUECVSA-N 1 1 354.498 3.232 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cc1Cl ZINC000449744764 501074174 /nfs/dbraw/zinc/07/41/74/501074174.db2.gz JQTUCGZBCMOYHG-OAHLLOKOSA-N 1 1 351.878 3.140 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)cc1Cl ZINC000449744764 501074176 /nfs/dbraw/zinc/07/41/76/501074176.db2.gz JQTUCGZBCMOYHG-OAHLLOKOSA-N 1 1 351.878 3.140 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1OC ZINC000449767774 501081569 /nfs/dbraw/zinc/08/15/69/501081569.db2.gz QXMPFIQNIHSNNC-JSGCOSHPSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C)C[C@H](O)C2)cc1OC ZINC000449767774 501081573 /nfs/dbraw/zinc/08/15/73/501081573.db2.gz QXMPFIQNIHSNNC-JSGCOSHPSA-N 1 1 370.287 3.225 20 30 FGEDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1cccc(C#N)c1Br ZINC000449889608 501117624 /nfs/dbraw/zinc/11/76/24/501117624.db2.gz SVQQFBMDTJRODB-OCCSQVGLSA-N 1 1 362.271 3.020 20 30 FGEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(Br)cc1C#N ZINC000450015970 501154981 /nfs/dbraw/zinc/15/49/81/501154981.db2.gz IOJSTLYCBHWVIF-OAHLLOKOSA-N 1 1 364.287 3.267 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446716435 501155843 /nfs/dbraw/zinc/15/58/43/501155843.db2.gz ITBPXXFWYHFRDY-HXUWFJFHSA-N 1 1 368.433 3.121 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446716435 501155844 /nfs/dbraw/zinc/15/58/44/501155844.db2.gz ITBPXXFWYHFRDY-HXUWFJFHSA-N 1 1 368.433 3.121 20 30 FGEDMO C=CCOc1ccc(CC(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000450827518 501214621 /nfs/dbraw/zinc/21/46/21/501214621.db2.gz IHCAHLZRAZRPKL-SFHVURJKSA-N 1 1 365.477 3.343 20 30 FGEDMO N#Cc1cccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000450232250 501215170 /nfs/dbraw/zinc/21/51/70/501215170.db2.gz LQNWSSXWLNJJMS-UHFFFAOYSA-N 1 1 354.385 3.318 20 30 FGEDMO C[C@@H]1CN(CCCSCC#N)C(C)(C)C[N@H+]1CCCSCC#N ZINC000451087344 501244503 /nfs/dbraw/zinc/24/45/03/501244503.db2.gz UUGYHXSXPANMQE-MRXNPFEDSA-N 1 1 354.589 3.065 20 30 FGEDMO C[C@@H]1C[N@H+](CCCSCC#N)C(C)(C)CN1CCCSCC#N ZINC000451087344 501244504 /nfs/dbraw/zinc/24/45/04/501244504.db2.gz UUGYHXSXPANMQE-MRXNPFEDSA-N 1 1 354.589 3.065 20 30 FGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)C(C)(C)CN1CCCSCC#N ZINC000451087344 501244505 /nfs/dbraw/zinc/24/45/05/501244505.db2.gz UUGYHXSXPANMQE-MRXNPFEDSA-N 1 1 354.589 3.065 20 30 FGEDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000451160223 501249111 /nfs/dbraw/zinc/24/91/11/501249111.db2.gz UEQAGCPQSUILRW-IBGZPJMESA-N 1 1 354.450 3.349 20 30 FGEDMO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ncc1C#N ZINC000457621005 501270311 /nfs/dbraw/zinc/27/03/11/501270311.db2.gz URLBPCSDLZQVKS-HSZRJFAPSA-N 1 1 374.488 3.390 20 30 FGEDMO C=C(C)Cn1c(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453465759 501339709 /nfs/dbraw/zinc/33/97/09/501339709.db2.gz MYXLQWLALZKDKL-BMQTXXJKSA-N 1 1 373.545 3.046 20 30 FGEDMO C=C(C)Cn1c(N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)nnc1[C@]1(C)CCCO1 ZINC000453470951 501341307 /nfs/dbraw/zinc/34/13/07/501341307.db2.gz RXHVOGSFAYLUDS-HLIPFELVSA-N 1 1 361.534 3.046 20 30 FGEDMO C[N@@H+](CCCCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000455625030 501349857 /nfs/dbraw/zinc/34/98/57/501349857.db2.gz XJRCJFRYKSDCNK-WOJBJXKFSA-N 1 1 354.498 3.342 20 30 FGEDMO C[C@H]1CN(CC(=O)Nc2sccc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000451713630 501357993 /nfs/dbraw/zinc/35/79/93/501357993.db2.gz UURNGRNVUQNHMU-MRXNPFEDSA-N 1 1 368.506 3.012 20 30 FGEDMO CC[C@@H]1C[N@@H+](CC)CCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000451725740 501360480 /nfs/dbraw/zinc/36/04/80/501360480.db2.gz OJNQUXOAYCFUCM-QGZVFWFLSA-N 1 1 362.905 3.003 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C)c1C ZINC000451785146 501372111 /nfs/dbraw/zinc/37/21/11/501372111.db2.gz VBHRHNUKLFPRRF-SFHVURJKSA-N 1 1 359.514 3.279 20 30 FGEDMO N#Cc1nc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)sc1Cl ZINC000596087486 506250314 /nfs/dbraw/zinc/25/03/14/506250314.db2.gz DGWUTLMIWAGKIW-UHFFFAOYSA-N 1 1 350.850 3.306 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000451894018 501394618 /nfs/dbraw/zinc/39/46/18/501394618.db2.gz RIDKRJODTURCMP-ZWNOBZJWSA-N 1 1 363.177 3.066 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000451894018 501394622 /nfs/dbraw/zinc/39/46/22/501394622.db2.gz RIDKRJODTURCMP-ZWNOBZJWSA-N 1 1 363.177 3.066 20 30 FGEDMO COC(=O)[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H]1c1ccccc1 ZINC000452003737 501417039 /nfs/dbraw/zinc/41/70/39/501417039.db2.gz JAYTWPUMMQRRBO-PMACEKPBSA-N 1 1 359.429 3.200 20 30 FGEDMO COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@H](Oc3ccc(C#N)cn3)C1)CC2 ZINC000602673497 506256769 /nfs/dbraw/zinc/25/67/69/506256769.db2.gz UWKAZEXPYNJSOD-WMZOPIPTSA-N 1 1 365.433 3.111 20 30 FGEDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000456342955 501504332 /nfs/dbraw/zinc/50/43/32/501504332.db2.gz GGASJGBHSUXJDF-KRWDZBQOSA-N 1 1 367.449 3.287 20 30 FGEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000456342955 501504334 /nfs/dbraw/zinc/50/43/34/501504334.db2.gz GGASJGBHSUXJDF-KRWDZBQOSA-N 1 1 367.449 3.287 20 30 FGEDMO CC[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000458794047 501533389 /nfs/dbraw/zinc/53/33/89/501533389.db2.gz AKMIGPMAVDWHFG-VQTJNVASSA-N 1 1 372.513 3.174 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000459052744 501583894 /nfs/dbraw/zinc/58/38/94/501583894.db2.gz ZHLLKAIDSODQJG-KCLUMXDGSA-N 1 1 371.525 3.415 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459370434 501641182 /nfs/dbraw/zinc/64/11/82/501641182.db2.gz IPFRNHINYDOEAR-INIZCTEOSA-N 1 1 350.422 3.173 20 30 FGEDMO CCOC(=O)C(C)(C)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459456203 501656861 /nfs/dbraw/zinc/65/68/61/501656861.db2.gz DQOVALAYHMGUCV-UHFFFAOYSA-N 1 1 359.426 3.268 20 30 FGEDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000459597045 501684010 /nfs/dbraw/zinc/68/40/10/501684010.db2.gz XZNLHLUTXTYLQQ-SFHVURJKSA-N 1 1 363.483 3.002 20 30 FGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000459674884 501697464 /nfs/dbraw/zinc/69/74/64/501697464.db2.gz LMTGVXUDULQXPM-IBGZPJMESA-N 1 1 353.470 3.250 20 30 FGEDMO C=C(C)[C@H]1OCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000457437726 501698261 /nfs/dbraw/zinc/69/82/61/501698261.db2.gz IQDAGUFGDKIEDY-NHCUHLMSSA-N 1 1 371.525 3.134 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000459803196 501716134 /nfs/dbraw/zinc/71/61/34/501716134.db2.gz YZQHYZAZVFGKCS-DLBZAZTESA-N 1 1 353.470 3.023 20 30 FGEDMO CC[C@@H](CO)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000467192736 501733439 /nfs/dbraw/zinc/73/34/39/501733439.db2.gz WELCJQWPDHTTDI-IBGZPJMESA-N 1 1 362.433 3.381 20 30 FGEDMO CC[C@@H](CO)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000467192736 501733443 /nfs/dbraw/zinc/73/34/43/501733443.db2.gz WELCJQWPDHTTDI-IBGZPJMESA-N 1 1 362.433 3.381 20 30 FGEDMO N#Cc1ccccc1COc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000477652130 501749891 /nfs/dbraw/zinc/74/98/91/501749891.db2.gz SYOOIWWWLGFAQY-UHFFFAOYSA-N 1 1 361.445 3.129 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000463566893 501763388 /nfs/dbraw/zinc/76/33/88/501763388.db2.gz CPPKBLZTKDAJNF-KRWDZBQOSA-N 1 1 358.482 3.064 20 30 FGEDMO C=CCC[N@H+](C)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000467301957 501765329 /nfs/dbraw/zinc/76/53/29/501765329.db2.gz URFNAJLNOJXPCW-UHFFFAOYSA-N 1 1 368.477 3.417 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](Nc2nc3ncccc3cc2C#N)[C@H](C)C1 ZINC000596128297 506272255 /nfs/dbraw/zinc/27/22/55/506272255.db2.gz HCCZETAFCIOEEY-QAPCUYQASA-N 1 1 353.470 3.050 20 30 FGEDMO COc1ccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1C#N ZINC000470807005 501810517 /nfs/dbraw/zinc/81/05/17/501810517.db2.gz WBDIPKOWPABOQL-IRXDYDNUSA-N 1 1 374.485 3.068 20 30 FGEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470807311 501811103 /nfs/dbraw/zinc/81/11/03/501811103.db2.gz BICIDHBGVXQDBP-ROUUACIJSA-N 1 1 372.875 3.026 20 30 FGEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(C#N)cc1F ZINC000477920393 501828778 /nfs/dbraw/zinc/82/87/78/501828778.db2.gz MNUWIDCYRRWJGB-ORAYPTAESA-N 1 1 355.388 3.288 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000470923180 501857521 /nfs/dbraw/zinc/85/75/21/501857521.db2.gz ITDVOTFWEIRDIA-NRFANRHFSA-N 1 1 368.477 3.463 20 30 FGEDMO Cc1nc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000481798027 501887411 /nfs/dbraw/zinc/88/74/11/501887411.db2.gz DGVIUIWKGVUNCK-INIZCTEOSA-N 1 1 362.477 3.424 20 30 FGEDMO C[C@H](NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000588374710 506281773 /nfs/dbraw/zinc/28/17/73/506281773.db2.gz WATDRGZCYCYKGF-LAUBAEHRSA-N 1 1 362.477 3.188 20 30 FGEDMO C[C@H](NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000588374710 506281779 /nfs/dbraw/zinc/28/17/79/506281779.db2.gz WATDRGZCYCYKGF-LAUBAEHRSA-N 1 1 362.477 3.188 20 30 FGEDMO CC(C)[C@H](C#N)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000464313897 501951933 /nfs/dbraw/zinc/95/19/33/501951933.db2.gz UVQWMVXZIMJUNA-RDJZCZTQSA-N 1 1 353.388 3.105 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592873663 506284771 /nfs/dbraw/zinc/28/47/71/506284771.db2.gz QEYHJKHMGYVZBB-IBGZPJMESA-N 1 1 350.466 3.320 20 30 FGEDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)cc1 ZINC000460982811 501980641 /nfs/dbraw/zinc/98/06/41/501980641.db2.gz JQWIDAPTEGJOEA-PGRDOPGGSA-N 1 1 353.510 3.483 20 30 FGEDMO Cn1ncc(C#N)c1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000596162301 506286784 /nfs/dbraw/zinc/28/67/84/506286784.db2.gz JXPKYYORMIZPEO-UHFFFAOYSA-N 1 1 374.286 3.131 20 30 FGEDMO C=CCc1ccc(OCC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000478563311 502019044 /nfs/dbraw/zinc/01/90/44/502019044.db2.gz JZXZVRZALBRESA-SJORKVTESA-N 1 1 360.498 3.182 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)ccc1OC ZINC000482456960 502074882 /nfs/dbraw/zinc/07/48/82/502074882.db2.gz PVGZKMAWQNRFFT-UWJYYQICSA-N 1 1 361.482 3.420 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)ccc1OC ZINC000482456960 502074889 /nfs/dbraw/zinc/07/48/89/502074889.db2.gz PVGZKMAWQNRFFT-UWJYYQICSA-N 1 1 361.482 3.420 20 30 FGEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc(C#N)cn2C)c1 ZINC000471591056 502078626 /nfs/dbraw/zinc/07/86/26/502078626.db2.gz QLJCELJUJWKYID-UHFFFAOYSA-N 1 1 352.482 3.449 20 30 FGEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000461358375 502080753 /nfs/dbraw/zinc/08/07/53/502080753.db2.gz FHUQTHCPCDVVPJ-HXUWFJFHSA-N 1 1 362.477 3.488 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000464766275 502086569 /nfs/dbraw/zinc/08/65/69/502086569.db2.gz TZEAMGNEZKIGNY-LJQANCHMSA-N 1 1 365.502 3.289 20 30 FGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CCC[C@@H]2C)cc1 ZINC000464846699 502116218 /nfs/dbraw/zinc/11/62/18/502116218.db2.gz SSABRELRNDISIK-AWEZNQCLSA-N 1 1 366.465 3.397 20 30 FGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CCC[C@@H]2C)cc1 ZINC000464846699 502116220 /nfs/dbraw/zinc/11/62/20/502116220.db2.gz SSABRELRNDISIK-AWEZNQCLSA-N 1 1 366.465 3.397 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](Nc2cc(C#N)cnn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000596182710 506298933 /nfs/dbraw/zinc/29/89/33/506298933.db2.gz GEGREWMSXQOWQF-SJLPKXTDSA-N 1 1 359.836 3.199 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(C#N)cnn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000596182710 506298939 /nfs/dbraw/zinc/29/89/39/506298939.db2.gz GEGREWMSXQOWQF-SJLPKXTDSA-N 1 1 359.836 3.199 20 30 FGEDMO Cc1nc2ccccc2n1C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000482896906 502210479 /nfs/dbraw/zinc/21/04/79/502210479.db2.gz IMWGVAHIZSEYGJ-NRFANRHFSA-N 1 1 373.460 3.080 20 30 FGEDMO N#CCCN(Cc1ccco1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000468929514 502233855 /nfs/dbraw/zinc/23/38/55/502233855.db2.gz IVHWCAQAPKUIDE-UHFFFAOYSA-N 1 1 371.347 3.354 20 30 FGEDMO N#Cc1cnnc(NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000596191080 506302008 /nfs/dbraw/zinc/30/20/08/506302008.db2.gz HFGXDGWMEIFGRN-UHFFFAOYSA-N 1 1 362.264 3.153 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@](C)(OC)CC2)c(OC)c1 ZINC000483016574 502245661 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FGEDMO CCC[N@H+](CC)Cc1ccc(C(=O)N=c2[nH]n(C(C)C)cc2C#N)cc1 ZINC000469217584 502339859 /nfs/dbraw/zinc/33/98/59/502339859.db2.gz YNFJXFVNLDHMME-UHFFFAOYSA-N 1 1 353.470 3.242 20 30 FGEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N=c2[nH]n(C(C)C)cc2C#N)cc1 ZINC000469217584 502339863 /nfs/dbraw/zinc/33/98/63/502339863.db2.gz YNFJXFVNLDHMME-UHFFFAOYSA-N 1 1 353.470 3.242 20 30 FGEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCCCCC#N ZINC000476029510 502362670 /nfs/dbraw/zinc/36/26/70/502362670.db2.gz FUZANZIMQZAHIR-IBGZPJMESA-N 1 1 356.514 3.452 20 30 FGEDMO C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC[C@@H]1c1ccccc1 ZINC000462277981 502378264 /nfs/dbraw/zinc/37/82/64/502378264.db2.gz PDFAEWSOYGKIGS-TYCQWZJGSA-N 1 1 373.456 3.316 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465877108 502411957 /nfs/dbraw/zinc/41/19/57/502411957.db2.gz QQLREEKMHIRUQV-LJQANCHMSA-N 1 1 357.498 3.315 20 30 FGEDMO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000469457904 502425515 /nfs/dbraw/zinc/42/55/15/502425515.db2.gz XOJQAXQGVFMIQX-FQEVSTJZSA-N 1 1 369.415 3.318 20 30 FGEDMO N#Cc1cc2cccnc2nc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000596210853 506313342 /nfs/dbraw/zinc/31/33/42/506313342.db2.gz RFVFZOSEJMRFAF-HXUWFJFHSA-N 1 1 373.460 3.204 20 30 FGEDMO Cc1nc(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)ccc1C#N ZINC000469502491 502443564 /nfs/dbraw/zinc/44/35/64/502443564.db2.gz YTSOKVZVYLNQAY-FQEVSTJZSA-N 1 1 350.466 3.148 20 30 FGEDMO C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)c1cccc(C#N)c1 ZINC000462536917 502479594 /nfs/dbraw/zinc/47/95/94/502479594.db2.gz GKKWVSPUFIOCOT-FXAWDEMLSA-N 1 1 362.477 3.037 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H]1C ZINC000469737453 502525326 /nfs/dbraw/zinc/52/53/26/502525326.db2.gz ZXPJPZLZYUUPMW-IAGOWNOFSA-N 1 1 352.482 3.500 20 30 FGEDMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000469740747 502527226 /nfs/dbraw/zinc/52/72/26/502527226.db2.gz DBCUHYFZSVHWLQ-STQMWFEESA-N 1 1 372.296 3.453 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469753709 502532949 /nfs/dbraw/zinc/53/29/49/502532949.db2.gz SWTMNDCKDWTBCA-ZDUSSCGKSA-N 1 1 372.296 3.455 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469753709 502532955 /nfs/dbraw/zinc/53/29/55/502532955.db2.gz SWTMNDCKDWTBCA-ZDUSSCGKSA-N 1 1 372.296 3.455 20 30 FGEDMO C=CCN(CCOC)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462746208 502555892 /nfs/dbraw/zinc/55/58/92/502555892.db2.gz SMQRZSSJMXOXMB-FQEVSTJZSA-N 1 1 359.514 3.133 20 30 FGEDMO CCOCC[N@H+]1CCN(c2c(C#N)cnc3c(C)cc(F)cc32)C[C@@H]1CC ZINC000462812940 502584393 /nfs/dbraw/zinc/58/43/93/502584393.db2.gz JYJDSZNFQBGAIG-SFHVURJKSA-N 1 1 370.472 3.491 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487991995 502592794 /nfs/dbraw/zinc/59/27/94/502592794.db2.gz KDHWVEIABIZWIM-GFCCVEGCSA-N 1 1 365.275 3.317 20 30 FGEDMO C=CCSc1ccccc1C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000488106745 502628740 /nfs/dbraw/zinc/62/87/40/502628740.db2.gz MBTQATRMAPYERK-INIZCTEOSA-N 1 1 360.523 3.290 20 30 FGEDMO Cc1cc(C[NH2+][C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000488120965 502632571 /nfs/dbraw/zinc/63/25/71/502632571.db2.gz WLBBJFZRRWCHPH-SFHVURJKSA-N 1 1 361.367 3.376 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000484624347 502687055 /nfs/dbraw/zinc/68/70/55/502687055.db2.gz WWENQHAYUKEUHG-MRXNPFEDSA-N 1 1 354.498 3.357 20 30 FGEDMO C=CCn1c(COc2ccc(C)cc2)nnc1SC[C@@H]1CC[N@H+](C)C1 ZINC000473792222 502708591 /nfs/dbraw/zinc/70/85/91/502708591.db2.gz LTPNUZNDFWZTRS-MRXNPFEDSA-N 1 1 358.511 3.395 20 30 FGEDMO CC[N@@H+]1[C@H](C)CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1C ZINC000602875156 506334176 /nfs/dbraw/zinc/33/41/76/506334176.db2.gz WXBAOHAZMSUMKR-IXDOHACOSA-N 1 1 374.554 3.434 20 30 FGEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC[C@@H]1CCCO1 ZINC000467144667 502801503 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3.342 20 30 FGEDMO CCC[N@@H+](CCc1c(C)nc2sccn2c1=O)Cc1ccc(C#N)cc1 ZINC000509327696 502876093 /nfs/dbraw/zinc/87/60/93/502876093.db2.gz MSBUDMUVRHKHBT-UHFFFAOYSA-N 1 1 366.490 3.391 20 30 FGEDMO C=CCOc1ccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000509351022 502880940 /nfs/dbraw/zinc/88/09/40/502880940.db2.gz OZORIKDESNRNPI-LJQANCHMSA-N 1 1 357.498 3.125 20 30 FGEDMO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000513259348 502890241 /nfs/dbraw/zinc/89/02/41/502890241.db2.gz AWXXYGMKDDTFOU-OXQOHEQNSA-N 1 1 354.475 3.415 20 30 FGEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000513259348 502890246 /nfs/dbraw/zinc/89/02/46/502890246.db2.gz AWXXYGMKDDTFOU-OXQOHEQNSA-N 1 1 354.475 3.415 20 30 FGEDMO N#CCc1cccc2c1CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)C2 ZINC000599144588 506342266 /nfs/dbraw/zinc/34/22/66/506342266.db2.gz KGHGNUDWRRDRTR-FQEVSTJZSA-N 1 1 366.509 3.227 20 30 FGEDMO C=CC[N@@H+](CCC(=O)NC(C)C)Cc1cc(Br)ccc1F ZINC000497447309 502961975 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CC(C)Oc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513671192 502996227 /nfs/dbraw/zinc/99/62/27/502996227.db2.gz GSZPBXFRVOSBCK-JTSKRJEESA-N 1 1 361.445 3.319 20 30 FGEDMO CC(C)Oc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000513671192 502996231 /nfs/dbraw/zinc/99/62/31/502996231.db2.gz GSZPBXFRVOSBCK-JTSKRJEESA-N 1 1 361.445 3.319 20 30 FGEDMO C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909715 506348475 /nfs/dbraw/zinc/34/84/75/506348475.db2.gz LZJRMCOAKMFOII-CQSZACIVSA-N 1 1 360.421 3.339 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000506137254 503055499 /nfs/dbraw/zinc/05/54/99/503055499.db2.gz RNRXTGGNNYDPOL-LBPRGKRZSA-N 1 1 373.359 3.339 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000506137254 503055503 /nfs/dbraw/zinc/05/55/03/503055503.db2.gz RNRXTGGNNYDPOL-LBPRGKRZSA-N 1 1 373.359 3.339 20 30 FGEDMO C=CCN(CCc1ccco1)C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000498121121 503110677 /nfs/dbraw/zinc/11/06/77/503110677.db2.gz MUAPZVDQQVLXAE-IBGZPJMESA-N 1 1 371.481 3.331 20 30 FGEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC(C)(C)C#N ZINC000502012246 503126839 /nfs/dbraw/zinc/12/68/39/503126839.db2.gz DKHXEAUICDYYLB-QFBILLFUSA-N 1 1 356.514 3.389 20 30 FGEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC(C)(C)C#N ZINC000502012246 503126844 /nfs/dbraw/zinc/12/68/44/503126844.db2.gz DKHXEAUICDYYLB-QFBILLFUSA-N 1 1 356.514 3.389 20 30 FGEDMO CCc1cc(OC)ccc1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000502260087 503171019 /nfs/dbraw/zinc/17/10/19/503171019.db2.gz XPJAOARMVBQVIC-JTSKRJEESA-N 1 1 361.445 3.103 20 30 FGEDMO CCc1cc(OC)ccc1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000502260087 503171024 /nfs/dbraw/zinc/17/10/24/503171024.db2.gz XPJAOARMVBQVIC-JTSKRJEESA-N 1 1 361.445 3.103 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)CCOCC1 ZINC000602926848 506356407 /nfs/dbraw/zinc/35/64/07/506356407.db2.gz CPKYVEKBOQEYTK-QGZVFWFLSA-N 1 1 368.399 3.135 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)CCOCC1 ZINC000602926848 506356414 /nfs/dbraw/zinc/35/64/14/506356414.db2.gz CPKYVEKBOQEYTK-QGZVFWFLSA-N 1 1 368.399 3.135 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000506847388 503183419 /nfs/dbraw/zinc/18/34/19/503183419.db2.gz YZPYWBWVWNHEEP-UFYCRDLUSA-N 1 1 357.498 3.199 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000506847388 503183422 /nfs/dbraw/zinc/18/34/22/503183422.db2.gz YZPYWBWVWNHEEP-UFYCRDLUSA-N 1 1 357.498 3.199 20 30 FGEDMO COC(=O)C[C@](C)([NH2+]Cc1cccc(C#N)c1F)c1cccc(OC)c1 ZINC000510807229 503195994 /nfs/dbraw/zinc/19/59/94/503195994.db2.gz AEBCMMHBZXPGNU-FQEVSTJZSA-N 1 1 356.397 3.274 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3c(F)ccc(O)c3F)CC2)cc1 ZINC000507050952 503221049 /nfs/dbraw/zinc/22/10/49/503221049.db2.gz DSSRQFSJNBATDB-UHFFFAOYSA-N 1 1 357.404 3.250 20 30 FGEDMO N#Cc1cc2c(nc1NCC1([NH+]3CCOCC3)CCCCC1)CCCC2 ZINC000514898467 503222052 /nfs/dbraw/zinc/22/20/52/503222052.db2.gz JWQLTFCTQVVZKR-UHFFFAOYSA-N 1 1 354.498 3.279 20 30 FGEDMO N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000502575106 503230166 /nfs/dbraw/zinc/23/01/66/503230166.db2.gz FHCJRUNWKOTJEN-LJQANCHMSA-N 1 1 351.450 3.434 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000514986649 503242660 /nfs/dbraw/zinc/24/26/60/503242660.db2.gz CDLXAZNGDHAPDV-BBRMVZONSA-N 1 1 363.914 3.457 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000514986649 503242661 /nfs/dbraw/zinc/24/26/61/503242661.db2.gz CDLXAZNGDHAPDV-BBRMVZONSA-N 1 1 363.914 3.457 20 30 FGEDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000498707981 503244192 /nfs/dbraw/zinc/24/41/92/503244192.db2.gz RRGDRXFBYTUFTB-QGZVFWFLSA-N 1 1 363.461 3.303 20 30 FGEDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000515020642 503252271 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FGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000491397903 503303361 /nfs/dbraw/zinc/30/33/61/503303361.db2.gz RCRWBSHJPAHLGP-UHFFFAOYSA-N 1 1 355.438 3.275 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(Cc4nccs4)CC3)C2=O)cc1 ZINC000602957373 506365793 /nfs/dbraw/zinc/36/57/93/506365793.db2.gz ULFIYOWXQOMJAC-SFHVURJKSA-N 1 1 366.490 3.075 20 30 FGEDMO COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)c1 ZINC000515495427 503350940 /nfs/dbraw/zinc/35/09/40/503350940.db2.gz DWGSFNJEYGORPE-GOSISDBHSA-N 1 1 355.482 3.045 20 30 FGEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1SC ZINC000507709911 503352892 /nfs/dbraw/zinc/35/28/92/503352892.db2.gz OKMMLJPIFBQKEM-KUHUBIRLSA-N 1 1 363.527 3.292 20 30 FGEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1SC ZINC000507709911 503352895 /nfs/dbraw/zinc/35/28/95/503352895.db2.gz OKMMLJPIFBQKEM-KUHUBIRLSA-N 1 1 363.527 3.292 20 30 FGEDMO N#Cc1ccc(OC2CC[NH+](CC(=O)NCCC3CCCCC3)CC2)cc1 ZINC000507834293 503376793 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356.429 3.497 20 30 FGEDMO Cc1nnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000531095319 504186907 /nfs/dbraw/zinc/18/69/07/504186907.db2.gz VGMJCRWQDUFRPF-JOCHJYFZSA-N 1 1 361.493 3.458 20 30 FGEDMO C[C@H]1[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCC12CCOCC2 ZINC000544616284 504191887 /nfs/dbraw/zinc/19/18/87/504191887.db2.gz CMUNKZFIWCZWTL-MRXNPFEDSA-N 1 1 350.466 3.350 20 30 FGEDMO C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000541602361 504195050 /nfs/dbraw/zinc/19/50/50/504195050.db2.gz NAJPUPPIELMHDJ-GFCCVEGCSA-N 1 1 359.882 3.450 20 30 FGEDMO C[C@H](CNC(=O)c1ccc(Cl)c(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000541602361 504195053 /nfs/dbraw/zinc/19/50/53/504195053.db2.gz NAJPUPPIELMHDJ-GFCCVEGCSA-N 1 1 359.882 3.450 20 30 FGEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000528418768 504215239 /nfs/dbraw/zinc/21/52/39/504215239.db2.gz DGFLFMKDLOOHBL-DLBZAZTESA-N 1 1 372.852 3.105 20 30 FGEDMO N#Cc1ccccc1OC[C@H](O)C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000528427259 504220981 /nfs/dbraw/zinc/22/09/81/504220981.db2.gz JFBSKTUWOXCMJV-MRXNPFEDSA-N 1 1 365.458 3.007 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528572925 504277046 /nfs/dbraw/zinc/27/70/46/504277046.db2.gz KJMRVEZIJQOHGZ-INIZCTEOSA-N 1 1 373.472 3.400 20 30 FGEDMO C=CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000528598638 504290240 /nfs/dbraw/zinc/29/02/40/504290240.db2.gz SIZIIFYBANQLHE-KBAYOESNSA-N 1 1 355.507 3.440 20 30 FGEDMO COc1cccc([C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2(C)C)c1 ZINC000528624275 504299539 /nfs/dbraw/zinc/29/95/39/504299539.db2.gz LYYVZKUHGSKRMD-VQTJNVASSA-N 1 1 363.461 3.219 20 30 FGEDMO COC(=O)c1cccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1C#N ZINC000535204728 504371624 /nfs/dbraw/zinc/37/16/24/504371624.db2.gz GKXMSYSBQZBXCS-OAQYLSRUSA-N 1 1 364.445 3.118 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1C#N ZINC000535204728 504371628 /nfs/dbraw/zinc/37/16/28/504371628.db2.gz GKXMSYSBQZBXCS-OAQYLSRUSA-N 1 1 364.445 3.118 20 30 FGEDMO COC(=O)c1cccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000535204991 504372064 /nfs/dbraw/zinc/37/20/64/504372064.db2.gz HDJNZOHUYGOLAF-LJQANCHMSA-N 1 1 363.461 3.051 20 30 FGEDMO COC(=O)c1cccc(C[NH2+]C2(c3ccccc3)CCOCC2)c1C#N ZINC000535207792 504373029 /nfs/dbraw/zinc/37/30/29/504373029.db2.gz TXKKKVAEHXROJQ-UHFFFAOYSA-N 1 1 350.418 3.140 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531663363 504384694 /nfs/dbraw/zinc/38/46/94/504384694.db2.gz RAKDUSKEKYVZDP-QZTJIDSGSA-N 1 1 363.527 3.089 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@]2(C)CO)ccc1OCc1cccc(C#N)c1 ZINC000545396251 504470703 /nfs/dbraw/zinc/47/07/03/504470703.db2.gz FNBODCGWVUAZSJ-JOCHJYFZSA-N 1 1 366.461 3.493 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@]2(C)CO)c1C#N ZINC000545398189 504472543 /nfs/dbraw/zinc/47/25/43/504472543.db2.gz BPNWCPGNMDXESX-NRFANRHFSA-N 1 1 372.513 3.267 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+]2CCC[C@@]2(C)CO)c1C#N ZINC000545398189 504472550 /nfs/dbraw/zinc/47/25/50/504472550.db2.gz BPNWCPGNMDXESX-NRFANRHFSA-N 1 1 372.513 3.267 20 30 FGEDMO C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21)C1CC1 ZINC000548603605 504492158 /nfs/dbraw/zinc/49/21/58/504492158.db2.gz ZCAHJBDAZSKPKD-CUXKYVRBSA-N 1 1 351.494 3.453 20 30 FGEDMO CC[N@H+]1CCC[C@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000535738404 504526200 /nfs/dbraw/zinc/52/62/00/504526200.db2.gz HOJUNLJEPPTIGP-QGZVFWFLSA-N 1 1 367.449 3.192 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000532097871 504533203 /nfs/dbraw/zinc/53/32/03/504533203.db2.gz XJJGTLBXFSTKRI-GJZGRUSLSA-N 1 1 365.880 3.494 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000532097871 504533205 /nfs/dbraw/zinc/53/32/05/504533205.db2.gz XJJGTLBXFSTKRI-GJZGRUSLSA-N 1 1 365.880 3.494 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000529117141 504542110 /nfs/dbraw/zinc/54/21/10/504542110.db2.gz ZKJWBDGJBVUPRO-LJQANCHMSA-N 1 1 364.449 3.157 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Nc2cccc(CC#N)c2)cc1 ZINC000529117141 504542116 /nfs/dbraw/zinc/54/21/16/504542116.db2.gz ZKJWBDGJBVUPRO-LJQANCHMSA-N 1 1 364.449 3.157 20 30 FGEDMO C=CCC[C@H](O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000542611132 504552616 /nfs/dbraw/zinc/55/26/16/504552616.db2.gz HSUKNRUHWQLVDG-FZMZJTMJSA-N 1 1 366.259 3.477 20 30 FGEDMO C=CCOc1ccccc1C[N@@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000535850346 504564510 /nfs/dbraw/zinc/56/45/10/504564510.db2.gz TZAUTKWCBAXSMY-UHFFFAOYSA-N 1 1 368.481 3.152 20 30 FGEDMO CC1=CC[N@@H+](CCNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000545859270 504617242 /nfs/dbraw/zinc/61/72/42/504617242.db2.gz QCSUMTHQHOCBMN-WOJBJXKFSA-N 1 1 352.482 3.120 20 30 FGEDMO C=CCn1c(CC)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000548942155 504629936 /nfs/dbraw/zinc/62/99/36/504629936.db2.gz JVPFZVLQACKXPP-UHFFFAOYSA-N 1 1 353.514 3.375 20 30 FGEDMO CC(C)c1ccc(OCCNC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000532413325 504640663 /nfs/dbraw/zinc/64/06/63/504640663.db2.gz XHOVAZYHURVIPI-UHFFFAOYSA-N 1 1 365.477 3.309 20 30 FGEDMO CC(C)c1ccc(OCCNC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000532413325 504640668 /nfs/dbraw/zinc/64/06/68/504640668.db2.gz XHOVAZYHURVIPI-UHFFFAOYSA-N 1 1 365.477 3.309 20 30 FGEDMO C=CC[C@H](CC)NC(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000545963748 504657709 /nfs/dbraw/zinc/65/77/09/504657709.db2.gz JKEKEGZCRUSHBN-UFYCRDLUSA-N 1 1 359.514 3.320 20 30 FGEDMO C=CC[C@H](CC)NC(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000545963748 504657713 /nfs/dbraw/zinc/65/77/13/504657713.db2.gz JKEKEGZCRUSHBN-UFYCRDLUSA-N 1 1 359.514 3.320 20 30 FGEDMO C=CCN1CC[C@@H]([NH2+][C@H](c2ccc(OC)cc2)c2ccccc2OC)C1=O ZINC000539711418 504662617 /nfs/dbraw/zinc/66/26/17/504662617.db2.gz MXXIBWOAJMUPHR-TZIWHRDSSA-N 1 1 366.461 3.170 20 30 FGEDMO CC[NH+](CC)CCCC1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000542945795 504668291 /nfs/dbraw/zinc/66/82/91/504668291.db2.gz VMEAVNCRAYIBAB-UHFFFAOYSA-N 1 1 370.541 3.008 20 30 FGEDMO COc1cc(C#N)ccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546002015 504671117 /nfs/dbraw/zinc/67/11/17/504671117.db2.gz QCMHGSZXJYHJKC-SFHVURJKSA-N 1 1 364.449 3.305 20 30 FGEDMO CC[C@@H](C)c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CC ZINC000549075641 504675684 /nfs/dbraw/zinc/67/56/84/504675684.db2.gz IAAYUWPFXUPEPQ-MRXNPFEDSA-N 1 1 352.486 3.005 20 30 FGEDMO COc1cccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000521195784 504675698 /nfs/dbraw/zinc/67/56/98/504675698.db2.gz SZDFHOOJJWLDPL-UHFFFAOYSA-N 1 1 365.477 3.341 20 30 FGEDMO CC1CC(C#N)(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000532528556 504683824 /nfs/dbraw/zinc/68/38/24/504683824.db2.gz VKAUEDSMDOYJIM-YMZLFWGNSA-N 1 1 351.494 3.439 20 30 FGEDMO C[C@H](Cc1[nH]cc[nH+]1)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000543030654 504696940 /nfs/dbraw/zinc/69/69/40/504696940.db2.gz WIXYDEUQBUUBQG-KGLIPLIRSA-N 1 1 358.467 3.390 20 30 FGEDMO C=CC[N@@H+](Cc1ccc2[nH]cnc2c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831403 504707903 /nfs/dbraw/zinc/70/79/03/504707903.db2.gz MLRFAOARZTXXJE-HNNXBMFYSA-N 1 1 359.437 3.288 20 30 FGEDMO C=CC[N@H+](Cc1ccc2nc[nH]c2c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831403 504707905 /nfs/dbraw/zinc/70/79/05/504707905.db2.gz MLRFAOARZTXXJE-HNNXBMFYSA-N 1 1 359.437 3.288 20 30 FGEDMO C=CC[N@@H+](Cc1ccc2nc[nH]c2c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831403 504707909 /nfs/dbraw/zinc/70/79/09/504707909.db2.gz MLRFAOARZTXXJE-HNNXBMFYSA-N 1 1 359.437 3.288 20 30 FGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000532625669 504715005 /nfs/dbraw/zinc/71/50/05/504715005.db2.gz HSSGQBMWOQHIKH-GJZGRUSLSA-N 1 1 356.495 3.236 20 30 FGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000532670794 504731019 /nfs/dbraw/zinc/73/10/19/504731019.db2.gz YANZCOMPOIBHSV-UHFFFAOYSA-N 1 1 353.397 3.254 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540042821 504764956 /nfs/dbraw/zinc/76/49/56/504764956.db2.gz UJZTVIMZQBHVQL-QGZVFWFLSA-N 1 1 368.477 3.136 20 30 FGEDMO N#Cc1csc(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1 ZINC000552868814 504778895 /nfs/dbraw/zinc/77/88/95/504778895.db2.gz IABSKEJAVWMLGK-MRXNPFEDSA-N 1 1 351.431 3.474 20 30 FGEDMO CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565047090 504780574 /nfs/dbraw/zinc/78/05/74/504780574.db2.gz NKBYASNYJDUSDF-LJQANCHMSA-N 1 1 364.449 3.420 20 30 FGEDMO C=C(C)Cn1c(C2CCC2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000549291701 504784578 /nfs/dbraw/zinc/78/45/78/504784578.db2.gz LKONUYCJEVVWHP-SFHVURJKSA-N 1 1 361.534 3.059 20 30 FGEDMO COc1cc(OC)c2ncc(C#N)c(NCC[N@@H+]3CC=C(C)CC3)c2c1 ZINC000553160192 504840592 /nfs/dbraw/zinc/84/05/92/504840592.db2.gz AOCSRZAGWJHOOP-UHFFFAOYSA-N 1 1 352.438 3.188 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000559424758 504859245 /nfs/dbraw/zinc/85/92/45/504859245.db2.gz FCRZMWLPYWGRSF-PXNSSMCTSA-N 1 1 364.555 3.382 20 30 FGEDMO C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000562564371 504860740 /nfs/dbraw/zinc/86/07/40/504860740.db2.gz SCHJOEIAXCKJMI-BFUOFWGJSA-N 1 1 371.872 3.333 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000549749967 504888269 /nfs/dbraw/zinc/88/82/69/504888269.db2.gz MDEJWQJWMGTTCD-OAHLLOKOSA-N 1 1 352.400 3.438 20 30 FGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCNC2=O)cc1 ZINC000562679964 504906668 /nfs/dbraw/zinc/90/66/68/504906668.db2.gz OUWDIRHUBDRBJE-IBGZPJMESA-N 1 1 351.425 3.226 20 30 FGEDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cccc(C#N)c1Br ZINC000562702391 504913683 /nfs/dbraw/zinc/91/36/83/504913683.db2.gz UXRYBEULGDRYSJ-AWEZNQCLSA-N 1 1 364.287 3.267 20 30 FGEDMO CC[N@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC000565629676 504942265 /nfs/dbraw/zinc/94/22/65/504942265.db2.gz HTMIZYATUZYFSK-UHFFFAOYSA-N 1 1 352.486 3.005 20 30 FGEDMO N#Cc1cccc(C2([NH2+]Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000560072354 504983864 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351.494 3.297 20 30 FGEDMO C[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000593528959 506672256 /nfs/dbraw/zinc/67/22/56/506672256.db2.gz STZMAFFYQZCLKG-HZPDHXFCSA-N 1 1 363.527 3.029 20 30 FGEDMO N#CC1(c2ccc(C[NH+]3CCN(C(=O)NC4CCCCC4)CC3)cc2)CC1 ZINC000596979079 506709062 /nfs/dbraw/zinc/70/90/62/506709062.db2.gz HWRQOINJULRFPU-UHFFFAOYSA-N 1 1 366.509 3.402 20 30 FGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000596983569 506712266 /nfs/dbraw/zinc/71/22/66/506712266.db2.gz BNIMAXOYCDHIKP-JOCHJYFZSA-N 1 1 366.461 3.375 20 30 FGEDMO Cc1ccc(-c2noc([C@H](C)N3CC[NH+]([C@@H]4CC[C@@H](C#N)C4)CC3)n2)cc1 ZINC000590154135 506751949 /nfs/dbraw/zinc/75/19/49/506751949.db2.gz BEJFEEVEWXGDOE-YQVWRLOYSA-N 1 1 365.481 3.416 20 30 FGEDMO N#Cc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)c(F)c1 ZINC000590185553 506760472 /nfs/dbraw/zinc/76/04/72/506760472.db2.gz MIKLZSKAOLFEIW-UHFFFAOYSA-N 1 1 359.832 3.477 20 30 FGEDMO N#Cc1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)o2)cc1 ZINC000609071107 506770426 /nfs/dbraw/zinc/77/04/26/506770426.db2.gz ROPGBMBMASEGFH-MOPGFXCFSA-N 1 1 365.433 3.087 20 30 FGEDMO N#CC1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CCCC1 ZINC000593774985 506770531 /nfs/dbraw/zinc/77/05/31/506770531.db2.gz IHDHDRLSAQCMDU-QGZVFWFLSA-N 1 1 361.436 3.344 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 ZINC000609108407 506777491 /nfs/dbraw/zinc/77/74/91/506777491.db2.gz CFHAHNBPENQGMM-LVCYWYKZSA-N 1 1 368.525 3.011 20 30 FGEDMO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597121375 506788069 /nfs/dbraw/zinc/78/80/69/506788069.db2.gz ONUSNXMGFBYKJO-UHFFFAOYSA-N 1 1 353.491 3.442 20 30 FGEDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597121375 506788077 /nfs/dbraw/zinc/78/80/77/506788077.db2.gz ONUSNXMGFBYKJO-UHFFFAOYSA-N 1 1 353.491 3.442 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2CC(=O)OC)cc1OC ZINC000600124580 506788660 /nfs/dbraw/zinc/78/86/60/506788660.db2.gz NTQWVSYBGXWRMW-AWEZNQCLSA-N 1 1 353.846 3.441 20 30 FGEDMO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC1(C#N)CC1 ZINC000590312589 506790471 /nfs/dbraw/zinc/79/04/71/506790471.db2.gz GVNWYRHTJUPTHX-QFBILLFUSA-N 1 1 354.498 3.143 20 30 FGEDMO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC1(C#N)CC1 ZINC000590312589 506790480 /nfs/dbraw/zinc/79/04/80/506790480.db2.gz GVNWYRHTJUPTHX-QFBILLFUSA-N 1 1 354.498 3.143 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000590326407 506795815 /nfs/dbraw/zinc/79/58/15/506795815.db2.gz QNAMKTQMUWKOHX-PWRODBHTSA-N 1 1 374.488 3.292 20 30 FGEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC3 ZINC000609195992 506810041 /nfs/dbraw/zinc/81/00/41/506810041.db2.gz PSMBQUMEMUOART-QGZVFWFLSA-N 1 1 361.445 3.146 20 30 FGEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC3 ZINC000609195992 506810046 /nfs/dbraw/zinc/81/00/46/506810046.db2.gz PSMBQUMEMUOART-QGZVFWFLSA-N 1 1 361.445 3.146 20 30 FGEDMO N#CCCCOc1cccc(CNCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000609223668 506818703 /nfs/dbraw/zinc/81/87/03/506818703.db2.gz AYINMIYQNIZQBB-UHFFFAOYSA-N 1 1 357.498 3.104 20 30 FGEDMO N#Cc1sccc1N1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000597183063 506819848 /nfs/dbraw/zinc/81/98/48/506819848.db2.gz IXKZIQCSKNGFLO-SFHVURJKSA-N 1 1 369.490 3.110 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609239976 506823757 /nfs/dbraw/zinc/82/37/57/506823757.db2.gz GMGHDOBLOMJSHH-KXBFYZLASA-N 1 1 366.440 3.332 20 30 FGEDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)[C@H]2C1 ZINC000590445632 506826472 /nfs/dbraw/zinc/82/64/72/506826472.db2.gz QFZNEZWUGKXNJT-BEFAXECRSA-N 1 1 365.408 3.266 20 30 FGEDMO COCC[N@H+]1CCC[C@H](Nc2cc(C)c(C#N)c3nc4ccccc4n32)C1 ZINC000609269374 506830801 /nfs/dbraw/zinc/83/08/01/506830801.db2.gz ZWXHIOIRWMTMOJ-INIZCTEOSA-N 1 1 363.465 3.190 20 30 FGEDMO COc1ccc(C(C)C)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000593941371 506838852 /nfs/dbraw/zinc/83/88/52/506838852.db2.gz KTOBZRIMYYNNPG-UHFFFAOYSA-N 1 1 350.466 3.407 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000604473451 506840289 /nfs/dbraw/zinc/84/02/89/506840289.db2.gz SQPAEIRUIQLTJA-AVRDEDQJSA-N 1 1 371.525 3.153 20 30 FGEDMO C[C@H]1Cc2ccccc2N1C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000604483168 506845766 /nfs/dbraw/zinc/84/57/66/506845766.db2.gz BXEVZOYJSJOMCX-KRWDZBQOSA-N 1 1 374.488 3.412 20 30 FGEDMO C[N@H+](CCO)Cc1cc(NC(=O)c2ccc(CC#N)cc2)ccc1Cl ZINC000590537899 506854446 /nfs/dbraw/zinc/85/44/46/506854446.db2.gz FCQBDCJFCKTPGS-UHFFFAOYSA-N 1 1 357.841 3.082 20 30 FGEDMO C[N@@H+](CCO)Cc1cc(NC(=O)c2ccc(CC#N)cc2)ccc1Cl ZINC000590537899 506854452 /nfs/dbraw/zinc/85/44/52/506854452.db2.gz FCQBDCJFCKTPGS-UHFFFAOYSA-N 1 1 357.841 3.082 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000609444532 506883148 /nfs/dbraw/zinc/88/31/48/506883148.db2.gz PJBXGEALIAUTNX-FXAWDEMLSA-N 1 1 369.509 3.486 20 30 FGEDMO COC(=O)c1c(C)[nH]c(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1C ZINC000594031907 506896605 /nfs/dbraw/zinc/89/66/05/506896605.db2.gz OIPACARHLWJDAD-UHFFFAOYSA-N 1 1 365.433 3.142 20 30 FGEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC3(C#N)CCOCC3)cc2)C1 ZINC000597324515 506897409 /nfs/dbraw/zinc/89/74/09/506897409.db2.gz DFCOEFRXOWAYOE-QGZVFWFLSA-N 1 1 371.481 3.056 20 30 FGEDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000600312003 506898493 /nfs/dbraw/zinc/89/84/93/506898493.db2.gz DEXNEBNYFIRWMY-KRWDZBQOSA-N 1 1 352.482 3.407 20 30 FGEDMO N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)nc1 ZINC000609515899 506907261 /nfs/dbraw/zinc/90/72/61/506907261.db2.gz QWULJXFZGLKVSE-ROUUACIJSA-N 1 1 362.433 3.102 20 30 FGEDMO CC(C)(C)OC(=O)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCC1 ZINC000594054226 506908967 /nfs/dbraw/zinc/90/89/67/506908967.db2.gz DXBMNIXRIGSLJL-UHFFFAOYSA-N 1 1 357.454 3.083 20 30 FGEDMO CC(C)(C)OC(=O)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCC1 ZINC000594054226 506908974 /nfs/dbraw/zinc/90/89/74/506908974.db2.gz DXBMNIXRIGSLJL-UHFFFAOYSA-N 1 1 357.454 3.083 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000594059331 506912640 /nfs/dbraw/zinc/91/26/40/506912640.db2.gz WTDUNNMZIPIFHP-PGRDOPGGSA-N 1 1 361.489 3.122 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000594059331 506912644 /nfs/dbraw/zinc/91/26/44/506912644.db2.gz WTDUNNMZIPIFHP-PGRDOPGGSA-N 1 1 361.489 3.122 20 30 FGEDMO CCc1cc(CCC[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)on1 ZINC000590714651 506922731 /nfs/dbraw/zinc/92/27/31/506922731.db2.gz WDTVLKGAVTYIQK-HXUWFJFHSA-N 1 1 356.445 3.191 20 30 FGEDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000609595457 506938398 /nfs/dbraw/zinc/93/83/98/506938398.db2.gz VPQFFAKTSSODHN-WBVHZDCISA-N 1 1 365.433 3.039 20 30 FGEDMO Cc1cc(NC(=O)[C@H](C)CC#N)n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000597412680 506938951 /nfs/dbraw/zinc/93/89/51/506938951.db2.gz GTJAVOLRCFWEAF-QAPCUYQASA-N 1 1 351.454 3.127 20 30 FGEDMO N#Cc1c(-n2cccn2)cccc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000583763303 506959440 /nfs/dbraw/zinc/95/94/40/506959440.db2.gz VUBASAHAUMCJBX-UHFFFAOYSA-N 1 1 357.461 3.456 20 30 FGEDMO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000609671903 506969888 /nfs/dbraw/zinc/96/98/88/506969888.db2.gz GSHQPEOJHDPPFX-IBGZPJMESA-N 1 1 355.388 3.242 20 30 FGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000609680750 506974260 /nfs/dbraw/zinc/97/42/60/506974260.db2.gz BXYVWFBMTPHDNP-JRGCBEDISA-N 1 1 350.462 3.370 20 30 FGEDMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC(C#N)C2)cc1)C[C@H]1CCCCO1 ZINC000590826066 506984992 /nfs/dbraw/zinc/98/49/92/506984992.db2.gz UZAIVBOMIUTVNQ-HXUWFJFHSA-N 1 1 370.497 3.453 20 30 FGEDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000609757907 506990038 /nfs/dbraw/zinc/99/00/38/506990038.db2.gz BXUYYGLAVLBPQQ-MJGOQNOKSA-N 1 1 355.482 3.193 20 30 FGEDMO CC(C)(C#N)C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000613256172 506996616 /nfs/dbraw/zinc/99/66/16/506996616.db2.gz CROAHTVDAPJYBR-UHFFFAOYSA-N 1 1 361.081 3.433 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCS[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000609800361 507006387 /nfs/dbraw/zinc/00/63/87/507006387.db2.gz DGPBIOBTJIWURM-PMACEKPBSA-N 1 1 363.486 3.454 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCS[C@H](c4ccccc4)C3)C2=O)cc1 ZINC000609800361 507006394 /nfs/dbraw/zinc/00/63/94/507006394.db2.gz DGPBIOBTJIWURM-PMACEKPBSA-N 1 1 363.486 3.454 20 30 FGEDMO C[C@H]1[C@H](NC(=O)N2Cc3ccc(C#N)cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000594242960 507037280 /nfs/dbraw/zinc/03/72/80/507037280.db2.gz GXAZRVMQNJJRGN-HRAATJIYSA-N 1 1 360.461 3.246 20 30 FGEDMO C[C@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000583899462 507038199 /nfs/dbraw/zinc/03/81/99/507038199.db2.gz QHCSZYYGRHLQBG-IERDGZPVSA-N 1 1 354.425 3.239 20 30 FGEDMO C[C@H](NC(=O)N1Cc2ccc(C#N)cc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000594247221 507039788 /nfs/dbraw/zinc/03/97/88/507039788.db2.gz CQZXKXOEHLFJIN-DOTOQJQBSA-N 1 1 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3.431 20 30 FGEDMO Cc1ccccc1-n1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 ZINC000592514917 507688198 /nfs/dbraw/zinc/68/81/98/507688198.db2.gz JVTIZMGXAKRZOS-IBGZPJMESA-N 1 1 359.433 3.101 20 30 FGEDMO N#Cc1cnn2cc(C[NH+]3CC(Cc4cccc(C(F)(F)F)c4)C3)cnc12 ZINC000592516895 507689504 /nfs/dbraw/zinc/68/95/04/507689504.db2.gz DFNBBMAPXQJSHL-UHFFFAOYSA-N 1 1 371.366 3.294 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CCC3)n2c1 ZINC000592520333 507691663 /nfs/dbraw/zinc/69/16/63/507691663.db2.gz LDUFYYSWYUNVQE-OAQYLSRUSA-N 1 1 360.461 3.369 20 30 FGEDMO COc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)ccc1OCc1cccs1 ZINC000592523582 507692883 /nfs/dbraw/zinc/69/28/83/507692883.db2.gz OSVGRPKZNROEQM-LJQANCHMSA-N 1 1 358.463 3.186 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)ccc1OCc1cccs1 ZINC000592523582 507692890 /nfs/dbraw/zinc/69/28/90/507692890.db2.gz OSVGRPKZNROEQM-LJQANCHMSA-N 1 1 358.463 3.186 20 30 FGEDMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523338 507693594 /nfs/dbraw/zinc/69/35/94/507693594.db2.gz LDCNXLHIUQHGMW-IBGZPJMESA-N 1 1 358.873 3.052 20 30 FGEDMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523338 507693600 /nfs/dbraw/zinc/69/36/00/507693600.db2.gz LDCNXLHIUQHGMW-IBGZPJMESA-N 1 1 358.873 3.052 20 30 FGEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC3(CCc4ccccc4O3)CC2)c1 ZINC000595827250 507703578 /nfs/dbraw/zinc/70/35/78/507703578.db2.gz BRPQACKNRXVMOI-UHFFFAOYSA-N 1 1 361.445 3.357 20 30 FGEDMO CN(c1ccccc1)[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595829182 507703684 /nfs/dbraw/zinc/70/36/84/507703684.db2.gz XEFWSXAMPQAGJV-GOSISDBHSA-N 1 1 368.868 3.361 20 30 FGEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000595829182 507703690 /nfs/dbraw/zinc/70/36/90/507703690.db2.gz XEFWSXAMPQAGJV-GOSISDBHSA-N 1 1 368.868 3.361 20 30 FGEDMO Cc1cc(C#N)cc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)n1 ZINC000586994552 507703729 /nfs/dbraw/zinc/70/37/29/507703729.db2.gz VMICPWNJDRCAMY-UHFFFAOYSA-N 1 1 356.857 3.116 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(OC)c(C#N)c3)C2)s1 ZINC000595915950 507743338 /nfs/dbraw/zinc/74/33/38/507743338.db2.gz CYVUJQHVDTWFMQ-AWEZNQCLSA-N 1 1 371.462 3.190 20 30 FGEDMO C=CCNC(=O)c1ccc(N2CCC[N@H+](Cc3ccccc3C)CC2)nc1 ZINC000602542266 507744215 /nfs/dbraw/zinc/74/42/15/507744215.db2.gz ZMEPTSXBXOZANB-UHFFFAOYSA-N 1 1 364.493 3.018 20 30 FGEDMO Cc1ccc(CNC(=O)CSc2ccc(C#N)cc2)c(N2CCCC2)[nH+]1 ZINC000611572177 507746452 /nfs/dbraw/zinc/74/64/52/507746452.db2.gz KMOYYNNNOKRFIV-UHFFFAOYSA-N 1 1 366.490 3.270 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000276010989 523400133 /nfs/dbraw/zinc/40/01/33/523400133.db2.gz QDCSDQPZRBFOQM-IBGZPJMESA-N 1 1 354.498 3.369 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000330265011 568032617 /nfs/dbraw/zinc/03/26/17/568032617.db2.gz YQGUDLGTORTTHN-FUHWJXTLSA-N 1 1 373.472 3.209 20 30 FGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000825322841 607483967 /nfs/dbraw/zinc/48/39/67/607483967.db2.gz KFBWXBDDMMHFEM-UHFFFAOYSA-N 1 1 362.437 3.159 20 30 FGEDMO N#Cc1cccc(OCCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000822837173 606889743 /nfs/dbraw/zinc/88/97/43/606889743.db2.gz IICUDGVOWPJYTJ-UHFFFAOYSA-N 1 1 374.448 3.172 20 30 FGEDMO Cc1cc(C)c(-c2nn[nH]n2)c(N2CC=C(c3ccc(C#N)cc3)CC2)[nH+]1 ZINC000826262054 608442129 /nfs/dbraw/zinc/44/21/29/608442129.db2.gz CSOTVUIUSWLAJW-UHFFFAOYSA-N 1 1 357.421 3.044 20 30 FGEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825981091 608522206 /nfs/dbraw/zinc/52/22/06/608522206.db2.gz OMNWJGYXWUTFDB-UHFFFAOYSA-N 1 1 362.437 3.181 20 30 FGEDMO C=CC[N@H+](CCc1cccc(F)c1F)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903731 609514132 /nfs/dbraw/zinc/51/41/32/609514132.db2.gz IULQIYJIQSQDQW-UHFFFAOYSA-N 1 1 355.392 3.376 20 30 FGEDMO C#CCOc1ccc(Br)cc1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090720240 700407208 /nfs/dbraw/zinc/40/72/08/700407208.db2.gz KULZJTQXRNTQKI-BBRMVZONSA-N 1 1 351.288 3.033 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000090720240 700407211 /nfs/dbraw/zinc/40/72/11/700407211.db2.gz KULZJTQXRNTQKI-BBRMVZONSA-N 1 1 351.288 3.033 20 30 FGEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000113960989 700575804 /nfs/dbraw/zinc/57/58/04/700575804.db2.gz APHYJNFFZOEAPV-AWEZNQCLSA-N 1 1 352.360 3.416 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c(O)c(OC)c1 ZINC000164356498 705328440 /nfs/dbraw/zinc/32/84/40/705328440.db2.gz RIHRHRLSQFJDAG-UHFFFAOYSA-N 1 1 358.404 3.199 20 30 FGEDMO [NH2+]=C(NCC1(N2CCSCC2)CCCC1)Nc1cc(F)ccc1F ZINC000262234436 713722166 /nfs/dbraw/zinc/72/21/66/713722166.db2.gz AABOBAQKQGZOGM-UHFFFAOYSA-N 1 1 354.470 3.053 20 30 FGEDMO Cc1cn2c([nH+]1)[C@@H](C[NH+]=C([O-])N1CCC(c3nccs3)CC1)CCC2 ZINC000328666489 713825356 /nfs/dbraw/zinc/82/53/56/713825356.db2.gz ZZOBGKKMSFCOAW-OAHLLOKOSA-N 1 1 359.499 3.319 20 30 FGEDMO C=CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)CC1 ZINC000374180411 713903545 /nfs/dbraw/zinc/90/35/45/713903545.db2.gz FJASLTLONOJXNQ-KDOFPFPSSA-N 1 1 362.543 3.270 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)NCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000426455026 714018821 /nfs/dbraw/zinc/01/88/21/714018821.db2.gz SDJJWAMCVHRJIJ-HOTGVXAUSA-N 1 1 352.841 3.216 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)NCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000426455026 714018824 /nfs/dbraw/zinc/01/88/24/714018824.db2.gz SDJJWAMCVHRJIJ-HOTGVXAUSA-N 1 1 352.841 3.216 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000523654182 714245111 /nfs/dbraw/zinc/24/51/11/714245111.db2.gz RTXTUECSTHNSQW-AWEZNQCLSA-N 1 1 351.853 3.248 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000523654182 714245114 /nfs/dbraw/zinc/24/51/14/714245114.db2.gz RTXTUECSTHNSQW-AWEZNQCLSA-N 1 1 351.853 3.248 20 30 FGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790671778 723166553 /nfs/dbraw/zinc/16/65/53/723166553.db2.gz HWPWADIOJKHJPK-KRWDZBQOSA-N 1 1 352.400 3.390 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000645039762 718178057 /nfs/dbraw/zinc/17/80/57/718178057.db2.gz CUQHEGMSUJEICT-UHFFFAOYSA-N 1 1 363.933 3.272 20 30 FGEDMO C=CCCn1cc(C[NH2+]CCOCc2ccc(Cl)cc2Cl)nn1 ZINC000657429332 719647679 /nfs/dbraw/zinc/64/76/79/719647679.db2.gz QNQNGNFVPDGCDY-UHFFFAOYSA-N 1 1 355.269 3.467 20 30 FGEDMO C=CC[N@H+](CC(=O)Nc1ccc(Br)cc1C)[C@H](C)COC ZINC000661243449 720214159 /nfs/dbraw/zinc/21/41/59/720214159.db2.gz KKJJFEVDRAGHOS-CYBMUJFWSA-N 1 1 355.276 3.219 20 30 FGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Br)cc1C)[C@H](C)COC ZINC000661243449 720214162 /nfs/dbraw/zinc/21/41/62/720214162.db2.gz KKJJFEVDRAGHOS-CYBMUJFWSA-N 1 1 355.276 3.219 20 30 FGEDMO CC(C)c1ccc(C#N)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164789961 721394158 /nfs/dbraw/zinc/39/41/58/721394158.db2.gz VOIQCHCAQRINFZ-HZPDHXFCSA-N 1 1 353.495 3.101 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)cc3C#N)C[C@H]21 ZINC001165019521 721804454 /nfs/dbraw/zinc/80/44/54/721804454.db2.gz CQCIJMCVJKNKKG-CDHQVMDDSA-N 1 1 365.456 3.224 20 30 FGEDMO CC[C@@H](C)[N@H+](CC#CCOC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000677818033 721917620 /nfs/dbraw/zinc/91/76/20/721917620.db2.gz YAYCXTWXAKHPFK-CQSZACIVSA-N 1 1 356.388 3.394 20 30 FGEDMO CC[C@@H](C)[N@@H+](CC#CCOC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000677818033 721917623 /nfs/dbraw/zinc/91/76/23/721917623.db2.gz YAYCXTWXAKHPFK-CQSZACIVSA-N 1 1 356.388 3.394 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c(Cl)c1 ZINC000784340769 724844790 /nfs/dbraw/zinc/84/47/90/724844790.db2.gz FCIZGXFUPDWXRA-INIZCTEOSA-N 1 1 354.841 3.457 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)CC1 ZINC000727103243 722441366 /nfs/dbraw/zinc/44/13/66/722441366.db2.gz GTJMTTIDMXUCSX-UHFFFAOYSA-N 1 1 352.400 3.151 20 30 FGEDMO C#Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cn1 ZINC000728860431 722454853 /nfs/dbraw/zinc/45/48/53/722454853.db2.gz OUTHHYYNYQIPHY-IBGZPJMESA-N 1 1 353.853 3.283 20 30 FGEDMO C#CC[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195308 722493721 /nfs/dbraw/zinc/49/37/21/722493721.db2.gz JJMJOUTYQMWODQ-XJKSGUPXSA-N 1 1 350.256 3.244 20 30 FGEDMO C[C@@H]1CC(=NNS(=O)(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000734297010 722505875 /nfs/dbraw/zinc/50/58/75/722505875.db2.gz XKESZFQVVOMJSD-MRXNPFEDSA-N 1 1 357.479 3.005 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NNC(=S)Nc1cccnc1 ZINC000734363175 722506432 /nfs/dbraw/zinc/50/64/32/722506432.db2.gz WGAPGIIHSQKAFR-HNNXBMFYSA-N 1 1 353.495 3.266 20 30 FGEDMO C#CCSCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000740032022 722534832 /nfs/dbraw/zinc/53/48/32/722534832.db2.gz FDLXHLODNVONSB-KRWDZBQOSA-N 1 1 359.539 3.227 20 30 FGEDMO C=CCn1c(C)nn(C[N@@H+](CCC)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1=S ZINC000740860105 722538463 /nfs/dbraw/zinc/53/84/63/722538463.db2.gz XXIQOFUDTIKBGQ-ARFHVFGLSA-N 1 1 350.532 3.392 20 30 FGEDMO C=CCn1c(C)nn(C[N@H+](CCC)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1=S ZINC000740860105 722538464 /nfs/dbraw/zinc/53/84/64/722538464.db2.gz XXIQOFUDTIKBGQ-ARFHVFGLSA-N 1 1 350.532 3.392 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)COc2ccc(Cl)c3ccccc23)CC1 ZINC000744371355 722576282 /nfs/dbraw/zinc/57/62/82/722576282.db2.gz VLLGBDPEFFXNSV-UHFFFAOYSA-N 1 1 356.853 3.040 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=NNC(=S)NCC(F)(F)F ZINC000747629942 722653344 /nfs/dbraw/zinc/65/33/44/722653344.db2.gz GODLNSFABBOMLM-UHFFFAOYSA-N 1 1 360.449 3.157 20 30 FGEDMO CN([NH+]=Cc1ccc2c(c1)CCCN2C)C(=S)NCc1ccccc1 ZINC000748033952 722672120 /nfs/dbraw/zinc/67/21/20/722672120.db2.gz OTXRCIRWUWNPOK-UHFFFAOYSA-N 1 1 352.507 3.409 20 30 FGEDMO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000749522779 722731739 /nfs/dbraw/zinc/73/17/39/722731739.db2.gz JMXYCQIGPKPLIQ-KRWDZBQOSA-N 1 1 353.853 3.437 20 30 FGEDMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000749522779 722731741 /nfs/dbraw/zinc/73/17/41/722731741.db2.gz JMXYCQIGPKPLIQ-KRWDZBQOSA-N 1 1 353.853 3.437 20 30 FGEDMO C=C(Br)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000749561774 722732958 /nfs/dbraw/zinc/73/29/58/722732958.db2.gz IIFPSOBPKGJGDN-CZUORRHYSA-N 1 1 366.303 3.105 20 30 FGEDMO Clc1cc(Cl)c2c(c1)C(=NNC1=[NH+][C@H]3CCCC[C@H]3N1)CCO2 ZINC000753937920 722919138 /nfs/dbraw/zinc/91/91/38/722919138.db2.gz HSZXTWADYBLNLX-OKILXGFUSA-N 1 1 353.253 3.340 20 30 FGEDMO C#CCOc1cccc(NC(=O)NCC[N@H+](CC)CCC(F)(F)F)c1 ZINC000755263221 722951763 /nfs/dbraw/zinc/95/17/63/722951763.db2.gz ARJIIUGFRKGHCN-UHFFFAOYSA-N 1 1 357.376 3.094 20 30 FGEDMO C#CC[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)C1CCCC1 ZINC000756910499 722971709 /nfs/dbraw/zinc/97/17/09/722971709.db2.gz CPVYNEMVEVSTOH-UHFFFAOYSA-N 1 1 352.400 3.455 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760830924 723096338 /nfs/dbraw/zinc/09/63/38/723096338.db2.gz QBUYDLHJWNJIQG-SQNIBIBYSA-N 1 1 352.519 3.425 20 30 FGEDMO Clc1sc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1Br ZINC000790173011 723111642 /nfs/dbraw/zinc/11/16/42/723111642.db2.gz ZZLDPNBOUJMBCA-AOOOYVTPSA-N 1 1 361.696 3.358 20 30 FGEDMO Clc1sc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1Br ZINC000790173016 723111661 /nfs/dbraw/zinc/11/16/61/723111661.db2.gz ZZLDPNBOUJMBCA-UWVGGRQHSA-N 1 1 361.696 3.358 20 30 FGEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000791622594 723265775 /nfs/dbraw/zinc/26/57/75/723265775.db2.gz DCKRUQITAPDQIS-WOJBJXKFSA-N 1 1 355.869 3.256 20 30 FGEDMO C[C@@]12CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl ZINC000792897412 723378692 /nfs/dbraw/zinc/37/86/92/723378692.db2.gz AWVZBQAXTVRMRJ-GOEBONIOSA-N 1 1 352.265 3.403 20 30 FGEDMO CC(C)(C)OC(=O)N1CC(F)(F)CC1=C[NH2+]Nc1ccncc1Cl ZINC000793028759 723393925 /nfs/dbraw/zinc/39/39/25/723393925.db2.gz XPIBAMXWXSRXOB-JTQLQIEISA-N 1 1 360.792 3.199 20 30 FGEDMO Cn1c(CC#N)nn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1=S ZINC000795679235 723605569 /nfs/dbraw/zinc/60/55/69/723605569.db2.gz JBJSYQLWUBJYQI-GVDBMIGSSA-N 1 1 353.495 3.243 20 30 FGEDMO Cn1c(CC#N)nn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1=S ZINC000795679235 723605570 /nfs/dbraw/zinc/60/55/70/723605570.db2.gz JBJSYQLWUBJYQI-GVDBMIGSSA-N 1 1 353.495 3.243 20 30 FGEDMO C[C@@H](NC(=S)NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000768366493 723655520 /nfs/dbraw/zinc/65/55/20/723655520.db2.gz INHGRJKUXQHLDI-ZMYBRWDISA-N 1 1 356.539 3.432 20 30 FGEDMO Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]NCC(F)(F)F ZINC000769808723 723696576 /nfs/dbraw/zinc/69/65/76/723696576.db2.gz UCOIHGCXZRTGOO-UHFFFAOYSA-N 1 1 351.376 3.267 20 30 FGEDMO C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773604265 723805148 /nfs/dbraw/zinc/80/51/48/723805148.db2.gz YKPKXNPQHZVBHZ-AFAVFJNCSA-N 1 1 351.853 3.324 20 30 FGEDMO C#C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000773604265 723805155 /nfs/dbraw/zinc/80/51/55/723805155.db2.gz YKPKXNPQHZVBHZ-AFAVFJNCSA-N 1 1 351.853 3.324 20 30 FGEDMO CCOCCO[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000774414650 723890614 /nfs/dbraw/zinc/89/06/14/723890614.db2.gz IWRLLJCYNMHLNS-UHFFFAOYSA-N 1 1 361.467 3.034 20 30 FGEDMO COc1cc(C(C)=NNCCC[NH+]2CCOCC2)ccc1SC(F)F ZINC000799490911 724034310 /nfs/dbraw/zinc/03/43/10/724034310.db2.gz ZIJZCIKXGAROCD-UHFFFAOYSA-N 1 1 373.469 3.046 20 30 FGEDMO C#C[C@H]([NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1)[C@H]1CCCO1 ZINC000775791538 724061751 /nfs/dbraw/zinc/06/17/51/724061751.db2.gz VXIOHBBSAYJNGK-DLBZAZTESA-N 1 1 372.266 3.177 20 30 FGEDMO C#CCC[NH+]1CCN(Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000776593877 724163447 /nfs/dbraw/zinc/16/34/47/724163447.db2.gz OPXFWYRLGHZJCV-UHFFFAOYSA-N 1 1 374.282 3.245 20 30 FGEDMO CCCCCCCCOCC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000785809710 724938709 /nfs/dbraw/zinc/93/87/09/724938709.db2.gz DAJDFYSKJPTCMW-SFHVURJKSA-N 1 1 354.535 3.075 20 30 FGEDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000805785369 725095268 /nfs/dbraw/zinc/09/52/68/725095268.db2.gz HFDITUVNKPRZCC-RBOXIYTFSA-N 1 1 353.388 3.144 20 30 FGEDMO Cc1cc(CN2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000805785369 725095271 /nfs/dbraw/zinc/09/52/71/725095271.db2.gz HFDITUVNKPRZCC-RBOXIYTFSA-N 1 1 353.388 3.144 20 30 FGEDMO C#CCN(Cc1ccccc1)C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000807177467 725155560 /nfs/dbraw/zinc/15/55/60/725155560.db2.gz ZHCWZNQZWYKQDR-UHFFFAOYSA-N 1 1 355.404 3.106 20 30 FGEDMO C=CCC(F)(F)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000815988276 727113946 /nfs/dbraw/zinc/11/39/46/727113946.db2.gz FKWIUYOAXLZXMX-SJORKVTESA-N 1 1 350.409 3.301 20 30 FGEDMO C=CCC(F)(F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000815988276 727113948 /nfs/dbraw/zinc/11/39/48/727113948.db2.gz FKWIUYOAXLZXMX-SJORKVTESA-N 1 1 350.409 3.301 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000818606595 727316546 /nfs/dbraw/zinc/31/65/46/727316546.db2.gz YPODMHOQVFBYPA-NTCAYCPXSA-N 1 1 358.791 3.357 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)c2cc3c(ccc(Br)c3C)[nH]2)CC1 ZINC000825077669 729370019 /nfs/dbraw/zinc/37/00/19/729370019.db2.gz DRNOQYOYXFWWOT-UHFFFAOYSA-N 1 1 374.282 3.020 20 30 FGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000825294251 729377361 /nfs/dbraw/zinc/37/73/61/729377361.db2.gz LYUHJYQTAZFGJY-CQSZACIVSA-N 1 1 355.404 3.436 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(C#N)CCSCC1 ZINC000827365164 729429503 /nfs/dbraw/zinc/42/95/03/729429503.db2.gz OLDUKJKLMMWRBJ-SJLPKXTDSA-N 1 1 357.523 3.050 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCOCC1 ZINC000827565647 729431903 /nfs/dbraw/zinc/43/19/03/729431903.db2.gz OCBYVYBSFKMPKN-QGZVFWFLSA-N 1 1 357.435 3.236 20 30 FGEDMO C#CCC[N@H+](CCOC)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000827823966 729435608 /nfs/dbraw/zinc/43/56/08/729435608.db2.gz YQOACODQWJAENS-UHFFFAOYSA-N 1 1 362.271 3.107 20 30 FGEDMO C#CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000829769036 729510627 /nfs/dbraw/zinc/51/06/27/729510627.db2.gz MXTWFIWOWMGTFS-NSHDSACASA-N 1 1 350.216 3.327 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000836489154 729957509 /nfs/dbraw/zinc/95/75/09/729957509.db2.gz WSXZDYGDKGLBNC-CQSZACIVSA-N 1 1 355.404 3.363 20 30 FGEDMO C=CCn1nnn(C[N@@H+](CCCC)[C@H]2CCc3ncsc3C2)c1=S ZINC000842644941 730524092 /nfs/dbraw/zinc/52/40/92/730524092.db2.gz AKXHOPDNHVFFQX-ZDUSSCGKSA-N 1 1 364.544 3.069 20 30 FGEDMO C=CCn1nnn(C[N@H+](CCCC)[C@H]2CCc3ncsc3C2)c1=S ZINC000842644941 730524095 /nfs/dbraw/zinc/52/40/95/730524095.db2.gz AKXHOPDNHVFFQX-ZDUSSCGKSA-N 1 1 364.544 3.069 20 30 FGEDMO C=CC[N@@H+](Cc1cccs1)C[C@](C)(O)CN(C)C(=O)OC(C)(C)C ZINC000844267587 730696251 /nfs/dbraw/zinc/69/62/51/730696251.db2.gz HCDYPCTYCQCXEA-GOSISDBHSA-N 1 1 354.516 3.354 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)sc2c1CCCC2 ZINC000844455483 730721498 /nfs/dbraw/zinc/72/14/98/730721498.db2.gz UZNVOQLHOXNURV-BETUJISGSA-N 1 1 351.422 3.024 20 30 FGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CNC(=O)OC(C)(C)C)n1 ZINC000852303529 731567337 /nfs/dbraw/zinc/56/73/37/731567337.db2.gz RTQPKCIXKLRKLG-ZIAGYGMSSA-N 1 1 350.463 3.319 20 30 FGEDMO C#CCC[N@@H+](CCOC)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000852752180 731629954 /nfs/dbraw/zinc/62/99/54/731629954.db2.gz PSILAAHPDPEERL-UHFFFAOYSA-N 1 1 357.479 3.029 20 30 FGEDMO C#CCC[N@H+](CCOC)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000852752180 731629955 /nfs/dbraw/zinc/62/99/55/731629955.db2.gz PSILAAHPDPEERL-UHFFFAOYSA-N 1 1 357.479 3.029 20 30 FGEDMO CCCCCCC[C@H](C)CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853467850 731707598 /nfs/dbraw/zinc/70/75/98/731707598.db2.gz QNVPSWRBYUSYST-HKUYNNGSSA-N 1 1 353.551 3.224 20 30 FGEDMO C#CCC(CC#C)C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000857309103 732119724 /nfs/dbraw/zinc/11/97/24/732119724.db2.gz GKBIUTPPTNYIEB-UHFFFAOYSA-N 1 1 351.475 3.492 20 30 FGEDMO CC(C)(C#N)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F ZINC000860049903 732440815 /nfs/dbraw/zinc/44/08/15/732440815.db2.gz JUXYUVZTKZXZQM-YJNKXOJESA-N 1 1 357.420 3.047 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)cc1OC ZINC000862338011 732812160 /nfs/dbraw/zinc/81/21/60/732812160.db2.gz GTDRNIYLIWCFAZ-GXTWGEPZSA-N 1 1 353.846 3.297 20 30 FGEDMO C#CC[C@H]1CC[N@@H+](Cc2c(Br)cncc2Br)C1 ZINC000862446766 732838025 /nfs/dbraw/zinc/83/80/25/732838025.db2.gz DGNWUPNWLRTJEK-JTQLQIEISA-N 1 1 358.077 3.452 20 30 FGEDMO C#CC[C@H]1CC[N@H+](Cc2c(Br)cncc2Br)C1 ZINC000862446766 732838034 /nfs/dbraw/zinc/83/80/34/732838034.db2.gz DGNWUPNWLRTJEK-JTQLQIEISA-N 1 1 358.077 3.452 20 30 FGEDMO Cn1nc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000863452862 732966096 /nfs/dbraw/zinc/96/60/96/732966096.db2.gz YCWPHEWGIWJJGZ-UHFFFAOYSA-N 1 1 363.805 3.133 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2sccc2CC#N)C1 ZINC000869263876 733709894 /nfs/dbraw/zinc/70/98/94/733709894.db2.gz ZNXYZZNOTUUUOC-GOSISDBHSA-N 1 1 353.491 3.203 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2sccc2CC#N)C1 ZINC000869263877 733710444 /nfs/dbraw/zinc/71/04/44/733710444.db2.gz ZNXYZZNOTUUUOC-SFHVURJKSA-N 1 1 353.491 3.203 20 30 FGEDMO CC(C)C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(=O)Nc1nccs1 ZINC000877119444 736188987 /nfs/dbraw/zinc/18/89/87/736188987.db2.gz YIWOQMJNAJAFGS-ZDUSSCGKSA-N 1 1 363.874 3.206 20 30 FGEDMO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)[C@@H]1n1cccn1 ZINC000877571752 736686438 /nfs/dbraw/zinc/68/64/38/736686438.db2.gz ITEPGKRXNQZDRB-OAGGEKHMSA-N 1 1 359.861 3.090 20 30 FGEDMO COC(=O)c1cnc(CC2CC[NH+](Cc3ccc(C#N)s3)CC2)s1 ZINC000880273134 737146165 /nfs/dbraw/zinc/14/61/65/737146165.db2.gz HXYQVHOJXRPFKP-UHFFFAOYSA-N 1 1 361.492 3.318 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319236 737154408 /nfs/dbraw/zinc/15/44/08/737154408.db2.gz USMDAHZLEWTXLD-BHEGOAEISA-N 1 1 360.527 3.252 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC1 ZINC000885965614 739203811 /nfs/dbraw/zinc/20/38/11/739203811.db2.gz PTBUKHPRKCECCO-GRYCIOLGSA-N 1 1 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CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C12CCC2 ZINC000120946394 495490094 /nfs/dbraw/zinc/49/00/94/495490094.db2.gz YQNZKCPBDBMNDR-RTBURBONSA-N 1 1 355.482 3.213 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000115321338 495490296 /nfs/dbraw/zinc/49/02/96/495490296.db2.gz BUBCCYHTDKODFC-FQEVSTJZSA-N 1 1 363.461 3.351 20 30 FGEDMO CC[N@@H+](CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CC1 ZINC000115362209 495494657 /nfs/dbraw/zinc/49/46/57/495494657.db2.gz ZZNRXFARMBCWLZ-UHFFFAOYSA-N 1 1 363.461 3.351 20 30 FGEDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000106864900 495502112 /nfs/dbraw/zinc/50/21/12/495502112.db2.gz HYLFGMQEUSTJQY-CJNGLKHVSA-N 1 1 361.511 3.062 20 30 FGEDMO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)o1 ZINC000141459053 495506416 /nfs/dbraw/zinc/50/64/16/495506416.db2.gz DTQCIVRKCOTXNS-QGZVFWFLSA-N 1 1 365.433 3.041 20 30 FGEDMO COc1ccc(CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC(C)(C)C)cc1 ZINC000115550126 495515456 /nfs/dbraw/zinc/51/54/56/495515456.db2.gz HMRLHNLJHUHSTH-QFIPXVFZSA-N 1 1 371.525 3.394 20 30 FGEDMO N#Cc1ccc([C@@H]([NH2+]Cc2cccc(COc3ccccc3)c2)C(N)=O)cc1 ZINC000115597857 495520775 /nfs/dbraw/zinc/52/07/75/495520775.db2.gz BSQJJAPNYFWNDP-JOCHJYFZSA-N 1 1 371.440 3.453 20 30 FGEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000173495883 495558736 /nfs/dbraw/zinc/55/87/36/495558736.db2.gz JCUDZDNUOHHTPW-QGZVFWFLSA-N 1 1 374.554 3.165 20 30 FGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000158773429 495586014 /nfs/dbraw/zinc/58/60/14/495586014.db2.gz LHCOMMJRMYVAGL-UHFFFAOYSA-N 1 1 371.481 3.330 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000150135721 495606585 /nfs/dbraw/zinc/60/65/85/495606585.db2.gz KKLHUTGCVKBKMO-GOSISDBHSA-N 1 1 365.433 3.049 20 30 FGEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1c[nH]c(C#N)c1 ZINC000182565480 495619104 /nfs/dbraw/zinc/61/91/04/495619104.db2.gz OCSLPSJAJLYJAW-LJQANCHMSA-N 1 1 374.448 3.091 20 30 FGEDMO CC(C)(C)N1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000179594509 495653692 /nfs/dbraw/zinc/65/36/92/495653692.db2.gz MGUOVRULSNUPLX-UHFFFAOYSA-N 1 1 356.514 3.496 20 30 FGEDMO C=C(C)C[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000185664260 495668785 /nfs/dbraw/zinc/66/87/85/495668785.db2.gz VDNBFVPXQWSOBA-VQIMIIECSA-N 1 1 357.498 3.394 20 30 FGEDMO C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000154614811 495672188 /nfs/dbraw/zinc/67/21/88/495672188.db2.gz IUWNJDLZLYDZGE-QGZVFWFLSA-N 1 1 357.498 3.282 20 30 FGEDMO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@@H]1COc2ccccc2O1 ZINC000179652048 495677011 /nfs/dbraw/zinc/67/70/11/495677011.db2.gz RARPUSXNRCEYBC-GOSISDBHSA-N 1 1 362.433 3.258 20 30 FGEDMO C[N@H+](CCOCc1ccccc1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000154672916 495690673 /nfs/dbraw/zinc/69/06/73/495690673.db2.gz JMMHYCHZUJMMKL-UHFFFAOYSA-N 1 1 357.841 3.299 20 30 FGEDMO C[N@@H+](CCOCc1ccccc1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000154672916 495690678 /nfs/dbraw/zinc/69/06/78/495690678.db2.gz JMMHYCHZUJMMKL-UHFFFAOYSA-N 1 1 357.841 3.299 20 30 FGEDMO Cc1sc(NC(=O)CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185754658 495712717 /nfs/dbraw/zinc/71/27/17/495712717.db2.gz AZFBOWHFVLZUSP-ZBFHGGJFSA-N 1 1 374.554 3.418 20 30 FGEDMO CSCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000151140877 495750925 /nfs/dbraw/zinc/75/09/25/495750925.db2.gz UOSRTFNQWOGYEQ-UHFFFAOYSA-N 1 1 356.495 3.199 20 30 FGEDMO CSCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000151140877 495750928 /nfs/dbraw/zinc/75/09/28/495750928.db2.gz UOSRTFNQWOGYEQ-UHFFFAOYSA-N 1 1 356.495 3.199 20 30 FGEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)c1 ZINC000176711143 495758942 /nfs/dbraw/zinc/75/89/42/495758942.db2.gz FGRAVBQXTMOHDS-LRDDRELGSA-N 1 1 371.462 3.093 20 30 FGEDMO CCC(CC)[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+]1CCOCC1 ZINC000179856901 495760116 /nfs/dbraw/zinc/76/01/16/495760116.db2.gz WJVSZBVKAPLYIH-FQEVSTJZSA-N 1 1 369.509 3.109 20 30 FGEDMO C=CCC[C@H](NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000185879797 495762615 /nfs/dbraw/zinc/76/26/15/495762615.db2.gz YTYHZPGTHGUINK-ICSRJNTNSA-N 1 1 358.530 3.019 20 30 FGEDMO CCOC(=O)C1([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CCCCC1 ZINC000151253798 495784390 /nfs/dbraw/zinc/78/43/90/495784390.db2.gz KKTRAGBVINAMNV-UHFFFAOYSA-N 1 1 357.454 3.085 20 30 FGEDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000155118177 495843080 /nfs/dbraw/zinc/84/30/80/495843080.db2.gz QRTQDZVQYXOFPV-CALCHBBNSA-N 1 1 363.461 3.302 20 30 FGEDMO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1OC ZINC000180144900 495879048 /nfs/dbraw/zinc/87/90/48/495879048.db2.gz XZJNEMYZJLVMNV-RXVVDRJESA-N 1 1 366.461 3.435 20 30 FGEDMO COc1cccc([C@@H]2[C@@H](NC(=O)C3(C#N)CCCC3)CC[N@H+]2C2CC2)c1 ZINC000183245939 495896745 /nfs/dbraw/zinc/89/67/45/495896745.db2.gz NEYUXIBUVAAQQF-RBUKOAKNSA-N 1 1 353.466 3.173 20 30 FGEDMO Cn1cc(C[N@@H+](C)CCCOc2cccc(C#N)c2)c(C(F)(F)F)n1 ZINC000155326801 495920916 /nfs/dbraw/zinc/92/09/16/495920916.db2.gz BMGBCGGZAMLXCY-UHFFFAOYSA-N 1 1 352.360 3.211 20 30 FGEDMO C=C(C)C[NH+]1CCC(NCc2cnc3ccc(Br)cn23)CC1 ZINC000174363561 495928491 /nfs/dbraw/zinc/92/84/91/495928491.db2.gz FXPPJIFLKRJDIM-UHFFFAOYSA-N 1 1 363.303 3.227 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183367355 495949760 /nfs/dbraw/zinc/94/97/60/495949760.db2.gz ATVSNSNAOXZVHE-MRXNPFEDSA-N 1 1 359.426 3.241 20 30 FGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1N1CCOCC1 ZINC000155448398 495960140 /nfs/dbraw/zinc/96/01/40/495960140.db2.gz KUKQGIJZKWIQRP-UHFFFAOYSA-N 1 1 365.477 3.296 20 30 FGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000177177721 495962151 /nfs/dbraw/zinc/96/21/51/495962151.db2.gz WTIPOOSZDNJWMX-INIZCTEOSA-N 1 1 374.410 3.474 20 30 FGEDMO COc1cc(F)c([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000183436470 495982808 /nfs/dbraw/zinc/98/28/08/495982808.db2.gz AOKBMAISSYBONZ-LBPRGKRZSA-N 1 1 357.385 3.004 20 30 FGEDMO CN(C(=O)C[NH2+]C(C)(C)c1nc2ccccc2n1C)C1(C#N)CCCCC1 ZINC000186566672 496049165 /nfs/dbraw/zinc/04/91/65/496049165.db2.gz PDIYFYPIDVRCSK-UHFFFAOYSA-N 1 1 367.497 3.083 20 30 FGEDMO N#Cc1ncc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1Cl ZINC000577936508 505822381 /nfs/dbraw/zinc/82/23/81/505822381.db2.gz MYELNRJURRIOJT-MRXNPFEDSA-N 1 1 369.856 3.393 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160839199 496052067 /nfs/dbraw/zinc/05/20/67/496052067.db2.gz IZOHPUAPIHMHCW-QGZVFWFLSA-N 1 1 372.469 3.309 20 30 FGEDMO C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000174666941 496052429 /nfs/dbraw/zinc/05/24/29/496052429.db2.gz DLVOFUFGJWZBKH-OAQYLSRUSA-N 1 1 355.526 3.198 20 30 FGEDMO Cc1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C#N ZINC000171884253 496074977 /nfs/dbraw/zinc/07/49/77/496074977.db2.gz VMZHVRVQWBHNQZ-IHWFROFDSA-N 1 1 360.461 3.187 20 30 FGEDMO C#CCOc1ccc(F)cc1NC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000155879680 496096012 /nfs/dbraw/zinc/09/60/12/496096012.db2.gz PLUQPSIPPDCWEU-OAHLLOKOSA-N 1 1 359.445 3.318 20 30 FGEDMO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000161185007 496122784 /nfs/dbraw/zinc/12/27/84/496122784.db2.gz DRFDLMDXHFGEMG-MRXNPFEDSA-N 1 1 354.429 3.378 20 30 FGEDMO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000161185007 496122786 /nfs/dbraw/zinc/12/27/86/496122786.db2.gz DRFDLMDXHFGEMG-MRXNPFEDSA-N 1 1 354.429 3.378 20 30 FGEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)nc1 ZINC000177738041 496178789 /nfs/dbraw/zinc/17/87/89/496178789.db2.gz RSRDXNQNVXZSDP-INIZCTEOSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)nc1 ZINC000177738041 496178793 /nfs/dbraw/zinc/17/87/93/496178793.db2.gz RSRDXNQNVXZSDP-INIZCTEOSA-N 1 1 352.413 3.252 20 30 FGEDMO C[NH+](C)[C@H]1CCC[C@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000175013419 496207229 /nfs/dbraw/zinc/20/72/29/496207229.db2.gz FMVOPHHMJAFZHS-PMACEKPBSA-N 1 1 351.498 3.426 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H]2OCCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000152814659 496264435 /nfs/dbraw/zinc/26/44/35/496264435.db2.gz LCAMMIMUJYMIJN-CRAIPNDOSA-N 1 1 361.873 3.088 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C[C@@H](O)C2CC2)c1C#N ZINC000156609257 496291092 /nfs/dbraw/zinc/29/10/92/496291092.db2.gz PMUKWBQUTYQSGU-LJQANCHMSA-N 1 1 372.513 3.123 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)C[C@@H](O)C2CC2)c1C#N ZINC000156609257 496291094 /nfs/dbraw/zinc/29/10/94/496291094.db2.gz PMUKWBQUTYQSGU-LJQANCHMSA-N 1 1 372.513 3.123 20 30 FGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)c(C)n1 ZINC000175274296 496317815 /nfs/dbraw/zinc/31/78/15/496317815.db2.gz GNJKCHUFKZKNTF-LJQANCHMSA-N 1 1 362.477 3.246 20 30 FGEDMO Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000153037237 496333655 /nfs/dbraw/zinc/33/36/55/496333655.db2.gz RNPLRVWBWPQWHE-DYESRHJHSA-N 1 1 356.514 3.314 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)CCc2ccccn2)cc1C ZINC000153110481 496356376 /nfs/dbraw/zinc/35/63/76/496356376.db2.gz QDTWNXCZBJULHJ-UHFFFAOYSA-N 1 1 350.466 3.120 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)CCc2ccccn2)cc1C ZINC000153110481 496356378 /nfs/dbraw/zinc/35/63/78/496356378.db2.gz QDTWNXCZBJULHJ-UHFFFAOYSA-N 1 1 350.466 3.120 20 30 FGEDMO Cc1nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000178301932 496405736 /nfs/dbraw/zinc/40/57/36/496405736.db2.gz KIBAIORLLGUOJS-UNMCSNQZSA-N 1 1 374.488 3.388 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1nc(-c2ccccc2)cs1 ZINC000184534163 496428247 /nfs/dbraw/zinc/42/82/47/496428247.db2.gz NHHXTAASIAEAFD-OAHLLOKOSA-N 1 1 367.478 3.117 20 30 FGEDMO CC(C)[NH+]1CC(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000580818251 505845083 /nfs/dbraw/zinc/84/50/83/505845083.db2.gz RZLUVUHFNULKRQ-UHFFFAOYSA-N 1 1 374.916 3.027 20 30 FGEDMO CCCOc1ncccc1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181580981 496455356 /nfs/dbraw/zinc/45/53/56/496455356.db2.gz WQQVGUAMRBRRDR-UHFFFAOYSA-N 1 1 364.493 3.496 20 30 FGEDMO COc1ccc(F)cc1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000187592782 496502649 /nfs/dbraw/zinc/50/26/49/496502649.db2.gz DKLMNOOYAFUCED-UHFFFAOYSA-N 1 1 353.441 3.460 20 30 FGEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000178578396 496504919 /nfs/dbraw/zinc/50/49/19/496504919.db2.gz MBMJXQFQPLUYBN-ZDUSSCGKSA-N 1 1 354.479 3.497 20 30 FGEDMO Cc1c(C#N)cccc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000178578396 496504924 /nfs/dbraw/zinc/50/49/24/496504924.db2.gz MBMJXQFQPLUYBN-ZDUSSCGKSA-N 1 1 354.479 3.497 20 30 FGEDMO Cc1cccc2nc(CNC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cn21 ZINC000181732059 496522606 /nfs/dbraw/zinc/52/26/06/496522606.db2.gz YLCKNEXJNRGFIG-UHFFFAOYSA-N 1 1 359.477 3.269 20 30 FGEDMO C[C@H]1C[C@H](NCc2cnc3ccc(C#N)cn23)CC[N@H+]1Cc1ccccc1 ZINC000175977738 496627911 /nfs/dbraw/zinc/62/79/11/496627911.db2.gz GQAZGKSXHYDPJD-FXAWDEMLSA-N 1 1 359.477 3.349 20 30 FGEDMO C[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CCN1Cc1ccccc1 ZINC000175977738 496627915 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C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ncccc1OCCCC#N ZINC000188674736 496872767 /nfs/dbraw/zinc/87/27/67/496872767.db2.gz HYGYWQKDAHSVHS-JKSUJKDBSA-N 1 1 359.474 3.006 20 30 FGEDMO Cc1ccc([C@H]2CSCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000247559444 496889050 /nfs/dbraw/zinc/88/90/50/496889050.db2.gz UPTLOCZAMOFZEZ-TZIWHRDSSA-N 1 1 368.502 3.397 20 30 FGEDMO Cc1csc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000195327414 496890278 /nfs/dbraw/zinc/89/02/78/496890278.db2.gz CPYFVWVPMDRSPJ-HOTGVXAUSA-N 1 1 360.527 3.362 20 30 FGEDMO Cc1csc([C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000195327414 496890281 /nfs/dbraw/zinc/89/02/81/496890281.db2.gz CPYFVWVPMDRSPJ-HOTGVXAUSA-N 1 1 360.527 3.362 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247649178 496900142 /nfs/dbraw/zinc/90/01/42/496900142.db2.gz PCKMCOULYWNDRG-QZTJIDSGSA-N 1 1 373.497 3.077 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000247649178 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497047444 /nfs/dbraw/zinc/04/74/44/497047444.db2.gz SBSUYLANUYQHMJ-QGZVFWFLSA-N 1 1 358.482 3.141 20 30 FGEDMO C=C(C)[C@@H](CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)OCC ZINC000270067520 497051025 /nfs/dbraw/zinc/05/10/25/497051025.db2.gz WOGZTMNAKDOCOG-LJQANCHMSA-N 1 1 366.452 3.417 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000227265286 497087523 /nfs/dbraw/zinc/08/75/23/497087523.db2.gz XWGIZYZUEWTWLJ-HLIPFELVSA-N 1 1 357.498 3.198 20 30 FGEDMO C#CC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000270299828 497097291 /nfs/dbraw/zinc/09/72/91/497097291.db2.gz OMKLJNSYYMJBLI-HLAWJBBLSA-N 1 1 351.494 3.409 20 30 FGEDMO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)cn1 ZINC000274748310 497157046 /nfs/dbraw/zinc/15/70/46/497157046.db2.gz GZIGBBNFEZMNRQ-ACJLOTCBSA-N 1 1 354.841 3.453 20 30 FGEDMO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000189623959 497185515 /nfs/dbraw/zinc/18/55/15/497185515.db2.gz 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FGUKNKGDJDAJSY-KRWDZBQOSA-N 1 1 357.498 3.053 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cnc2ccc(C#N)cn12 ZINC000367439189 499198981 /nfs/dbraw/zinc/19/89/81/499198981.db2.gz SAQANBNBKNUHSD-DYESRHJHSA-N 1 1 359.477 3.206 20 30 FGEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000367439189 499198983 /nfs/dbraw/zinc/19/89/83/499198983.db2.gz SAQANBNBKNUHSD-DYESRHJHSA-N 1 1 359.477 3.206 20 30 FGEDMO CCCC(=O)N1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000367466858 499202506 /nfs/dbraw/zinc/20/25/06/499202506.db2.gz COQIBOQWNHQKTL-UHFFFAOYSA-N 1 1 373.497 3.212 20 30 FGEDMO CCCC(=O)N1CCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000367466858 499202508 /nfs/dbraw/zinc/20/25/08/499202508.db2.gz COQIBOQWNHQKTL-UHFFFAOYSA-N 1 1 373.497 3.212 20 30 FGEDMO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000582122882 506138801 /nfs/dbraw/zinc/13/88/01/506138801.db2.gz KCUHQSPQSGOOTH-KRWDZBQOSA-N 1 1 366.513 3.077 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000582122882 506138806 /nfs/dbraw/zinc/13/88/06/506138806.db2.gz KCUHQSPQSGOOTH-KRWDZBQOSA-N 1 1 366.513 3.077 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[C@H](C2CC[NH+](C[C@H](C#N)CCC#N)CC2)C1 ZINC000368075929 499261649 /nfs/dbraw/zinc/26/16/49/499261649.db2.gz SGXNERYMLKVXQE-WMZOPIPTSA-N 1 1 360.502 3.399 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2nc(C)nc2C)cc1OC ZINC000371411029 499322680 /nfs/dbraw/zinc/32/26/80/499322680.db2.gz VSNMSVLLNIVQNL-SFHVURJKSA-N 1 1 356.470 3.133 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000371493952 499334219 /nfs/dbraw/zinc/33/42/19/499334219.db2.gz VWNTVDBLCQHAID-ZWKOTPCHSA-N 1 1 358.392 3.118 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000371493952 499334221 /nfs/dbraw/zinc/33/42/21/499334221.db2.gz VWNTVDBLCQHAID-ZWKOTPCHSA-N 1 1 358.392 3.118 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC3(CCOCC3)[C@H]2C)c1C ZINC000368814525 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ANKKKDMSMKYXIW-GOSISDBHSA-N 1 1 369.509 3.245 20 30 FGEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000589643997 506617202 /nfs/dbraw/zinc/61/72/02/506617202.db2.gz QYYOPTPYECUZSL-IBGZPJMESA-N 1 1 362.481 3.066 20 30 FGEDMO N#Cc1cccc(C2(NC(=O)N[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)c1 ZINC000596831512 506624269 /nfs/dbraw/zinc/62/42/69/506624269.db2.gz ZGOWMFVMMUFRPH-SFHVURJKSA-N 1 1 352.482 3.254 20 30 FGEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000612561930 506626727 /nfs/dbraw/zinc/62/67/27/506626727.db2.gz NFCLPUHMMPWBQG-LSDHHAIUSA-N 1 1 365.437 3.302 20 30 FGEDMO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000603878292 506644598 /nfs/dbraw/zinc/64/45/98/506644598.db2.gz MUJFWKZNTBZLCX-UYAOXDASSA-N 1 1 368.525 3.250 20 30 FGEDMO N#Cc1cnc(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC000593496702 506653542 /nfs/dbraw/zinc/65/35/42/506653542.db2.gz WHWLKGGPDJAAEF-RBUKOAKNSA-N 1 1 368.868 3.086 20 30 FGEDMO COc1cc(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c(F)cc1C#N ZINC000599818690 506654837 /nfs/dbraw/zinc/65/48/37/506654837.db2.gz YSKPMEBLKSQRRA-CQSZACIVSA-N 1 1 362.449 3.340 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(C2CC2)CC1 ZINC000590006712 506705386 /nfs/dbraw/zinc/70/53/86/506705386.db2.gz PZABQYOOJURAEB-UHFFFAOYSA-N 1 1 372.513 3.074 20 30 FGEDMO CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000608795299 506712100 /nfs/dbraw/zinc/71/21/00/506712100.db2.gz IGHNCUAAILEIPX-UHFFFAOYSA-N 1 1 353.426 3.207 20 30 FGEDMO C[N@@H+](Cc1ccc2nc(NC(=O)N3CC(C)(C#N)C3)sc2c1)C1CC1 ZINC000597001254 506724820 /nfs/dbraw/zinc/72/48/20/506724820.db2.gz ZLWUAAHBGRITMR-UHFFFAOYSA-N 1 1 355.467 3.268 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCC(NCc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000593687117 506731432 /nfs/dbraw/zinc/73/14/32/506731432.db2.gz CHIRDIMJNFCDNX-UHFFFAOYSA-N 1 1 350.422 3.221 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000590118867 506740883 /nfs/dbraw/zinc/74/08/83/506740883.db2.gz SKUJEQLGPCIUQI-RTWAWAEBSA-N 1 1 350.462 3.372 20 30 FGEDMO N#CC1(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000590252545 506775688 /nfs/dbraw/zinc/77/56/88/506775688.db2.gz GXDWUMDVRGFQOH-HNNXBMFYSA-N 1 1 351.372 3.090 20 30 FGEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)CC1(C#N)CC1 ZINC000590309146 506789648 /nfs/dbraw/zinc/78/96/48/506789648.db2.gz ZOKQZHNHUGHWTM-GOSISDBHSA-N 1 1 363.465 3.271 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc3ccccc3n2CC#N)C1 ZINC000609167173 506801511 /nfs/dbraw/zinc/80/15/11/506801511.db2.gz UOUIQGKGJIKUMP-MRXNPFEDSA-N 1 1 352.482 3.405 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000597160875 506805876 /nfs/dbraw/zinc/80/58/76/506805876.db2.gz LYJFSWTWHXIYBJ-FQEVSTJZSA-N 1 1 365.452 3.268 20 30 FGEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CC3 ZINC000609195991 506810310 /nfs/dbraw/zinc/81/03/10/506810310.db2.gz PSMBQUMEMUOART-KRWDZBQOSA-N 1 1 361.445 3.146 20 30 FGEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CC3 ZINC000609195991 506810316 /nfs/dbraw/zinc/81/03/16/506810316.db2.gz PSMBQUMEMUOART-KRWDZBQOSA-N 1 1 361.445 3.146 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC(C)(C)OCC2(C)C)c(OC)c1 ZINC000604389709 506814579 /nfs/dbraw/zinc/81/45/79/506814579.db2.gz RPFGIOCFMDFPCE-KRWDZBQOSA-N 1 1 363.498 3.053 20 30 FGEDMO CC1(C)CCCN(C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@@H]1C#N ZINC000590449236 506827797 /nfs/dbraw/zinc/82/77/97/506827797.db2.gz ZALRDOLTFCKLKA-VQTJNVASSA-N 1 1 353.510 3.482 20 30 FGEDMO COC(=O)c1cnc(C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)s1 ZINC000600188803 506833113 /nfs/dbraw/zinc/83/31/13/506833113.db2.gz GEIAFCDWEZWJKL-UHFFFAOYSA-N 1 1 371.462 3.190 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597211648 506839217 /nfs/dbraw/zinc/83/92/17/506839217.db2.gz NGDBIPJJOWBBTE-CQSZACIVSA-N 1 1 355.388 3.183 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597211648 506839221 /nfs/dbraw/zinc/83/92/21/506839221.db2.gz NGDBIPJJOWBBTE-CQSZACIVSA-N 1 1 355.388 3.183 20 30 FGEDMO CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccs1 ZINC000604484539 506845652 /nfs/dbraw/zinc/84/56/52/506845652.db2.gz MQBLOIMVSFRLMG-UHFFFAOYSA-N 1 1 365.462 3.266 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1cccs1 ZINC000604484539 506845659 /nfs/dbraw/zinc/84/56/59/506845659.db2.gz MQBLOIMVSFRLMG-UHFFFAOYSA-N 1 1 365.462 3.266 20 30 FGEDMO COCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(C)cc1C ZINC000604493486 506848851 /nfs/dbraw/zinc/84/88/51/506848851.db2.gz YFJDOIFPDXARPM-UHFFFAOYSA-N 1 1 371.525 3.437 20 30 FGEDMO COCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(C)cc1C ZINC000604493486 506848863 /nfs/dbraw/zinc/84/88/63/506848863.db2.gz YFJDOIFPDXARPM-UHFFFAOYSA-N 1 1 371.525 3.437 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)cc1OCCCC#N ZINC000597230481 506849621 /nfs/dbraw/zinc/84/96/21/506849621.db2.gz GUFLKYCWPSYLAS-SFHVURJKSA-N 1 1 373.497 3.114 20 30 FGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604493133 506849738 /nfs/dbraw/zinc/84/97/38/506849738.db2.gz TUUDILOIFUWLED-UHFFFAOYSA-N 1 1 366.421 3.224 20 30 FGEDMO COC(=O)c1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n2c1CCCC2 ZINC000600212957 506850687 /nfs/dbraw/zinc/85/06/87/506850687.db2.gz MEVRZRCLAGFFFM-UHFFFAOYSA-N 1 1 363.461 3.235 20 30 FGEDMO COC(=O)c1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)n2c1CCCC2 ZINC000600212957 506850694 /nfs/dbraw/zinc/85/06/94/506850694.db2.gz MEVRZRCLAGFFFM-UHFFFAOYSA-N 1 1 363.461 3.235 20 30 FGEDMO Cc1[nH+]ccn1CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000604523751 506860732 /nfs/dbraw/zinc/86/07/32/506860732.db2.gz IKGDUSOEELZOTM-UHFFFAOYSA-N 1 1 362.393 3.072 20 30 FGEDMO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000593972789 506860826 /nfs/dbraw/zinc/86/08/26/506860826.db2.gz UMMDHNCQVCHRSB-HXUWFJFHSA-N 1 1 364.424 3.392 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000609399116 506874350 /nfs/dbraw/zinc/87/43/50/506874350.db2.gz KBWHIUYDUHEORN-MRXNPFEDSA-N 1 1 365.437 3.209 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OCC(F)(F)F)nn1 ZINC000594013133 506882613 /nfs/dbraw/zinc/88/26/13/506882613.db2.gz SDYHNXBKOHKTAQ-LBPRGKRZSA-N 1 1 350.344 3.482 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OCC(F)(F)F)nn1 ZINC000594013133 506882622 /nfs/dbraw/zinc/88/26/22/506882622.db2.gz SDYHNXBKOHKTAQ-LBPRGKRZSA-N 1 1 350.344 3.482 20 30 FGEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000590755300 506939722 /nfs/dbraw/zinc/93/97/22/506939722.db2.gz XTSWMUDGQCGMIX-VNQPRFMTSA-N 1 1 356.388 3.155 20 30 FGEDMO N#Cc1ccc2c(c1)CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C2 ZINC000594136918 506966806 /nfs/dbraw/zinc/96/68/06/506966806.db2.gz LOMKKSGTNLIQNJ-FQEVSTJZSA-N 1 1 363.486 3.191 20 30 FGEDMO Cc1cc(Br)cc(C)c1C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609676553 506972700 /nfs/dbraw/zinc/97/27/00/506972700.db2.gz OSCXLGHOMGWRIQ-KRWDZBQOSA-N 1 1 372.266 3.254 20 30 FGEDMO N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000583797975 506979112 /nfs/dbraw/zinc/97/91/12/506979112.db2.gz PKSNEYWVHHNXPI-WJMWBRGCSA-N 1 1 366.509 3.232 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000609744446 506987935 /nfs/dbraw/zinc/98/79/35/506987935.db2.gz JJMQPURDTPVPLQ-UHFFFAOYSA-N 1 1 351.425 3.021 20 30 FGEDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CCCCOc1cccc(C#N)c1 ZINC000609757905 506990192 /nfs/dbraw/zinc/99/01/92/506990192.db2.gz BXUYYGLAVLBPQQ-HKUYNNGSSA-N 1 1 355.482 3.193 20 30 FGEDMO Cc1[nH+]ccn1CCCCNC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594230920 507027220 /nfs/dbraw/zinc/02/72/20/507027220.db2.gz MZDOELNXWQTOBH-UHFFFAOYSA-N 1 1 351.454 3.222 20 30 FGEDMO C=CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000583900339 507038866 /nfs/dbraw/zinc/03/88/66/507038866.db2.gz AOJPCADWIQCCMC-MAUKXSAKSA-N 1 1 354.502 3.001 20 30 FGEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000609915669 507049201 /nfs/dbraw/zinc/04/92/01/507049201.db2.gz JFUDAOSIVAZRCI-OAHLLOKOSA-N 1 1 355.869 3.391 20 30 FGEDMO N#CCn1c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc2ccccc21 ZINC000609995764 507066176 /nfs/dbraw/zinc/06/61/76/507066176.db2.gz NLIVEYHMMJFASA-UHFFFAOYSA-N 1 1 350.466 3.255 20 30 FGEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000590971763 507068000 /nfs/dbraw/zinc/06/80/00/507068000.db2.gz LANHSWCSLCBWNP-JXFKEZNVSA-N 1 1 356.441 3.194 20 30 FGEDMO CC(C)(C)c1ccc(C#N)c(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000613429573 507083722 /nfs/dbraw/zinc/08/37/22/507083722.db2.gz XZVBZMURQNEVLH-IBGZPJMESA-N 1 1 364.493 3.429 20 30 FGEDMO CC(C)[C@@H](C#N)N1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000610133182 507111945 /nfs/dbraw/zinc/11/19/45/507111945.db2.gz JFRZKGIFTCWTDW-QGZVFWFLSA-N 1 1 373.888 3.098 20 30 FGEDMO C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160268 507119444 /nfs/dbraw/zinc/11/94/44/507119444.db2.gz HBMMEXCPFXGNGJ-YWZLYKJASA-N 1 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FGEDMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)n1 ZINC000373903566 713881974 /nfs/dbraw/zinc/88/19/74/713881974.db2.gz DNCRWHHCGGZJOV-GFCCVEGCSA-N 1 1 363.824 3.179 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1cccs1 ZINC000374071709 713898133 /nfs/dbraw/zinc/89/81/33/713898133.db2.gz JAMUWZDFBNWEHW-AJTLQJAISA-N 1 1 360.527 3.370 20 30 FGEDMO C=CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)CC1 ZINC000374180412 713903587 /nfs/dbraw/zinc/90/35/87/713903587.db2.gz FJASLTLONOJXNQ-KSSFIOAISA-N 1 1 362.543 3.270 20 30 FGEDMO Cc1cnc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)s1 ZINC000374233907 713906989 /nfs/dbraw/zinc/90/69/89/713906989.db2.gz CNWWWUVGXZWMET-JKSUJKDBSA-N 1 1 360.527 3.362 20 30 FGEDMO Cc1cnc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)s1 ZINC000374233907 713906990 /nfs/dbraw/zinc/90/69/90/713906990.db2.gz CNWWWUVGXZWMET-JKSUJKDBSA-N 1 1 360.527 3.362 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(CCC[N@H+]2C)CC1 ZINC000374633616 713935666 /nfs/dbraw/zinc/93/56/66/713935666.db2.gz YSTFALPQXLYBCY-KRWDZBQOSA-N 1 1 361.555 3.211 20 30 FGEDMO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374942806 713954917 /nfs/dbraw/zinc/95/49/17/713954917.db2.gz FJBDZRKWFVAFLL-ZIAGYGMSSA-N 1 1 356.495 3.493 20 30 FGEDMO C=CCSc1ccccc1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000526020225 714397243 /nfs/dbraw/zinc/39/72/43/714397243.db2.gz NKIIXMVYUQPCNY-UHFFFAOYSA-N 1 1 356.495 3.097 20 30 FGEDMO C=CCOc1c(Cl)cc(CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1OC ZINC000623446226 715338273 /nfs/dbraw/zinc/33/82/73/715338273.db2.gz VYECYHXHVZRKCW-CXAGYDPISA-N 1 1 350.890 3.486 20 30 FGEDMO C=CCOc1c(Cl)cc(CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000623446226 715338274 /nfs/dbraw/zinc/33/82/74/715338274.db2.gz VYECYHXHVZRKCW-CXAGYDPISA-N 1 1 350.890 3.486 20 30 FGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)NCc2cccc(OCC(F)(F)F)c2)C1 ZINC000625702558 715775663 /nfs/dbraw/zinc/77/56/63/715775663.db2.gz ZJDOYADHZPSNNN-CQSZACIVSA-N 1 1 356.388 3.142 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000625703450 715776204 /nfs/dbraw/zinc/77/62/04/715776204.db2.gz GYCJSHDJLVCUIW-SWLSCSKDSA-N 1 1 369.328 3.306 20 30 FGEDMO C=CCOc1c(Cl)cc(C[NH+]2CCC(OCCCO)CC2)cc1OC ZINC000628185225 716122144 /nfs/dbraw/zinc/12/21/44/716122144.db2.gz QBLBFYXNOWCMPX-UHFFFAOYSA-N 1 1 369.889 3.277 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1OC ZINC000628186434 716122861 /nfs/dbraw/zinc/12/28/61/716122861.db2.gz KOEIZTUARFGKAX-ZDUSSCGKSA-N 1 1 352.862 3.001 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1OC ZINC000628338724 716143160 /nfs/dbraw/zinc/14/31/60/716143160.db2.gz UKONGVAVDKCFHP-GDBMZVCRSA-N 1 1 364.873 3.014 20 30 FGEDMO C=CCCn1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)nn1 ZINC000631186804 716581758 /nfs/dbraw/zinc/58/17/58/716581758.db2.gz RZQXCMSALYSYBL-SJORKVTESA-N 1 1 350.825 3.267 20 30 FGEDMO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]CC#Cc2ccccc2)cc1 ZINC000644514985 718116167 /nfs/dbraw/zinc/11/61/67/718116167.db2.gz ZROBEKMDTDOYMQ-UHFFFAOYSA-N 1 1 355.503 3.399 20 30 FGEDMO O=C(NCc1ccccc1)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000646056865 718260352 /nfs/dbraw/zinc/26/03/52/718260352.db2.gz JFJQERMPBWBGLN-IBGZPJMESA-N 1 1 352.865 3.330 20 30 FGEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000648073225 718398011 /nfs/dbraw/zinc/39/80/11/718398011.db2.gz FJLVZKPKILOERB-ZDUSSCGKSA-N 1 1 372.284 3.345 20 30 FGEDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000648073225 718398013 /nfs/dbraw/zinc/39/80/13/718398013.db2.gz FJLVZKPKILOERB-ZDUSSCGKSA-N 1 1 372.284 3.345 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000651076699 718764685 /nfs/dbraw/zinc/76/46/85/718764685.db2.gz PUFNIYHYORQRRE-MJGOQNOKSA-N 1 1 351.535 3.312 20 30 FGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(F)c2C#N)CC3)cs1 ZINC001164692439 719810322 /nfs/dbraw/zinc/81/03/22/719810322.db2.gz GUEDNIQSHWYHBL-UHFFFAOYSA-N 1 1 371.485 3.492 20 30 FGEDMO C#CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000782195675 724636323 /nfs/dbraw/zinc/63/63/23/724636323.db2.gz JJOPYUZKCNZFLM-HZPDHXFCSA-N 1 1 351.853 3.325 20 30 FGEDMO C#CCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000782195675 724636325 /nfs/dbraw/zinc/63/63/25/724636325.db2.gz JJOPYUZKCNZFLM-HZPDHXFCSA-N 1 1 351.853 3.325 20 30 FGEDMO O=C1CCCN1C[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000662057611 720368280 /nfs/dbraw/zinc/36/82/80/720368280.db2.gz PHNYRSILPMNAAL-MRXNPFEDSA-N 1 1 350.384 3.001 20 30 FGEDMO C=CCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H](C)COC ZINC000663455364 720517209 /nfs/dbraw/zinc/51/72/09/720517209.db2.gz JSKBHIQTORXGPE-YOEHRIQHSA-N 1 1 353.894 3.175 20 30 FGEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000665391034 720764059 /nfs/dbraw/zinc/76/40/59/720764059.db2.gz VFKJUALADFJXCJ-ROUUACIJSA-N 1 1 351.535 3.121 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(C#N)cc(Cl)n1)[C@@H]2C ZINC001164860031 720916555 /nfs/dbraw/zinc/91/65/55/720916555.db2.gz QULRBHVBILWWAW-CYBMUJFWSA-N 1 1 358.877 3.225 20 30 FGEDMO N#Cc1ccc(Cl)nc1C(F)(F)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164772642 721289557 /nfs/dbraw/zinc/28/95/57/721289557.db2.gz KBTMYMXLDGVJTI-UHFFFAOYSA-N 1 1 352.816 3.074 20 30 FGEDMO O=C(NCC(F)(F)F)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000676711976 721826983 /nfs/dbraw/zinc/82/69/83/721826983.db2.gz ADFUCXGOPRMATJ-UHFFFAOYSA-N 1 1 358.791 3.082 20 30 FGEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165036372 721917247 /nfs/dbraw/zinc/91/72/47/721917247.db2.gz BWFUDZIEUOYYQN-CQSZACIVSA-N 1 1 356.857 3.061 20 30 FGEDMO C=C(Br)C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000729682259 722461565 /nfs/dbraw/zinc/46/15/65/722461565.db2.gz YUNGFOUSHVBCAF-UHFFFAOYSA-N 1 1 362.271 3.070 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F ZINC000729812426 722462750 /nfs/dbraw/zinc/46/27/50/722462750.db2.gz VGMJTKDJHGQPJI-ZIAGYGMSSA-N 1 1 355.356 3.114 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC)Cc1ccccc1Br ZINC000732057298 722481088 /nfs/dbraw/zinc/48/10/88/722481088.db2.gz KLSFLSCVPQXBRD-KRWDZBQOSA-N 1 1 363.299 3.285 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC)Cc1ccccc1Br ZINC000732057298 722481089 /nfs/dbraw/zinc/48/10/89/722481089.db2.gz KLSFLSCVPQXBRD-KRWDZBQOSA-N 1 1 363.299 3.285 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000733954481 722502800 /nfs/dbraw/zinc/50/28/00/722502800.db2.gz RDVRNCQIPRWOJM-INIZCTEOSA-N 1 1 359.539 3.244 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000733954481 722502801 /nfs/dbraw/zinc/50/28/01/722502801.db2.gz RDVRNCQIPRWOJM-INIZCTEOSA-N 1 1 359.539 3.244 20 30 FGEDMO C[C@H]1CC(=NNS(=O)(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000734297008 722505833 /nfs/dbraw/zinc/50/58/33/722505833.db2.gz XKESZFQVVOMJSD-INIZCTEOSA-N 1 1 357.479 3.005 20 30 FGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744423888 722576773 /nfs/dbraw/zinc/57/67/73/722576773.db2.gz PPRJINOJGGCJRG-CABCVRRESA-N 1 1 356.495 3.026 20 30 FGEDMO CCN(CCC#N)C(=O)C[NH+]1CCC(c2nc(C(C)(C)C)cs2)CC1 ZINC000750065153 722753417 /nfs/dbraw/zinc/75/34/17/722753417.db2.gz RBWJJAMEIGIMJW-UHFFFAOYSA-N 1 1 362.543 3.382 20 30 FGEDMO N#CCOc1ccc(Cl)cc1CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000753822644 722914551 /nfs/dbraw/zinc/91/45/51/722914551.db2.gz ZWGDLVYKHGHPCE-UHFFFAOYSA-N 1 1 357.797 3.014 20 30 FGEDMO C#CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)C1CCCC1 ZINC000756912472 722971802 /nfs/dbraw/zinc/97/18/02/722971802.db2.gz VSOLMSKGAJFQQT-UHFFFAOYSA-N 1 1 369.328 3.347 20 30 FGEDMO C[NH+]1CCN(N=Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000758088034 722984035 /nfs/dbraw/zinc/98/40/35/722984035.db2.gz AQCPFFYAVIMSOE-UHFFFAOYSA-N 1 1 350.182 3.049 20 30 FGEDMO C[N@H+]1CCCC12CCN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000790844223 723184199 /nfs/dbraw/zinc/18/41/99/723184199.db2.gz SNLLLMUXGOWKIZ-UHFFFAOYSA-N 1 1 350.384 3.144 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792906814 723380377 /nfs/dbraw/zinc/38/03/77/723380377.db2.gz SKBWJAKTQWRQJH-CVEARBPZSA-N 1 1 355.265 3.461 20 30 FGEDMO CCCCCCC[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000793793183 723468041 /nfs/dbraw/zinc/46/80/41/723468041.db2.gz TYJDEANVYYWCMT-RCCFBDPRSA-N 1 1 353.551 3.040 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000794659550 723538841 /nfs/dbraw/zinc/53/88/41/723538841.db2.gz FGLFFQWUBYQEQP-HNAYVOBHSA-N 1 1 359.495 3.152 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000794659550 723538843 /nfs/dbraw/zinc/53/88/43/723538843.db2.gz FGLFFQWUBYQEQP-HNAYVOBHSA-N 1 1 359.495 3.152 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767885282 723638190 /nfs/dbraw/zinc/63/81/90/723638190.db2.gz RFWMQGJBBAOCOK-HIFRSBDPSA-N 1 1 353.388 3.255 20 30 FGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCCCC(C)(C)C#N)CCO1 ZINC000769733915 723693446 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C=C(Br)CNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000777471422 724229110 /nfs/dbraw/zinc/22/91/10/724229110.db2.gz SRXOBCMVHYRSKE-KRWDZBQOSA-N 1 1 366.303 3.249 20 30 FGEDMO C#C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1F ZINC000805157835 725053607 /nfs/dbraw/zinc/05/36/07/725053607.db2.gz VKDFVOTWPPHVAO-MUSFGAPCSA-N 1 1 363.864 3.468 20 30 FGEDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000805774193 725093893 /nfs/dbraw/zinc/09/38/93/725093893.db2.gz COBBOAJPLVHCKV-QGZVFWFLSA-N 1 1 351.491 3.078 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccc(Cl)cc1F ZINC000812018698 725387567 /nfs/dbraw/zinc/38/75/67/725387567.db2.gz GRGLKAOMFYWKLC-PXAZEXFGSA-N 1 1 362.836 3.294 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000812781451 726809854 /nfs/dbraw/zinc/80/98/54/726809854.db2.gz UOUHFBRSUMTBJB-NRFANRHFSA-N 1 1 355.865 3.488 20 30 FGEDMO C#CC[N@@H+](C)CCCNc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000814929750 727012169 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C=CCCOCC[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000835042686 729852625 /nfs/dbraw/zinc/85/26/25/729852625.db2.gz WZBSNEUSRJGBNE-UHFFFAOYSA-N 1 1 367.515 3.119 20 30 FGEDMO C#Cc1ccc([C@@H](OC(=O)C[N@@H+](C)[C@H]2CCSC2)C(F)(F)F)cc1 ZINC000836081030 729939296 /nfs/dbraw/zinc/93/92/96/729939296.db2.gz OYGCYKAGQIDOOD-GOEBONIOSA-N 1 1 357.397 3.252 20 30 FGEDMO C#Cc1ccc([C@@H](OC(=O)C[N@H+](C)[C@H]2CCSC2)C(F)(F)F)cc1 ZINC000836081030 729939297 /nfs/dbraw/zinc/93/92/97/729939297.db2.gz OYGCYKAGQIDOOD-GOEBONIOSA-N 1 1 357.397 3.252 20 30 FGEDMO C#C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)c1ccc(Cl)cc1F ZINC000836453007 729956173 /nfs/dbraw/zinc/95/61/73/729956173.db2.gz HOHRAWDCVALPRH-QGZVFWFLSA-N 1 1 351.853 3.327 20 30 FGEDMO C[NH+]1CCN(N=Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000841605551 730259611 /nfs/dbraw/zinc/25/96/11/730259611.db2.gz XQTHEESPSVNGKF-UHFFFAOYSA-N 1 1 365.319 3.021 20 30 FGEDMO C=CCCCCCCCNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000841904549 730284252 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C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1cccc(C#N)c1O ZINC000866232857 733327435 /nfs/dbraw/zinc/32/74/35/733327435.db2.gz PRYAXJBLMLBXPA-NSHDSACASA-N 1 1 351.328 3.451 20 30 FGEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871098192 733914475 /nfs/dbraw/zinc/91/44/75/733914475.db2.gz WLZMYSVOEOJFPR-DLBZAZTESA-N 1 1 357.527 3.037 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1nc2ccncc2s1 ZINC000872413669 735625825 /nfs/dbraw/zinc/62/58/25/735625825.db2.gz ASHZMPYKZOCTET-ZDUSSCGKSA-N 1 1 352.467 3.396 20 30 FGEDMO C=CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000886759560 739293397 /nfs/dbraw/zinc/29/33/97/739293397.db2.gz JQJGEZSAJWYJDG-CYBMUJFWSA-N 1 1 356.388 3.435 20 30 FGEDMO N#Cc1cccc(C[NH2+]C[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)n1 ZINC000877074922 736184380 /nfs/dbraw/zinc/18/43/80/736184380.db2.gz GFLZMAYUWNTCOG-OAHLLOKOSA-N 1 1 355.747 3.146 20 30 FGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877167874 736194462 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N#Cc1sc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)nc1Cl ZINC000888412729 739518478 /nfs/dbraw/zinc/51/84/78/739518478.db2.gz RYXVBOXEOQNHPA-UHFFFAOYSA-N 1 1 353.879 3.150 20 30 FGEDMO N#Cc1sc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1Cl ZINC000888416137 739519393 /nfs/dbraw/zinc/51/93/93/739519393.db2.gz WEDQZFYWOXBMBC-ZYHUDNBSSA-N 1 1 365.890 3.149 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccccc1 ZINC000888419006 739519835 /nfs/dbraw/zinc/51/98/35/739519835.db2.gz GJVBHRPDWNGFLE-AAEUAGOBSA-N 1 1 361.858 3.235 20 30 FGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891839803 739942397 /nfs/dbraw/zinc/94/23/97/739942397.db2.gz KTSQOVUCKNVJDK-IRXDYDNUSA-N 1 1 350.390 3.217 20 30 FGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891839803 739942400 /nfs/dbraw/zinc/94/24/00/739942400.db2.gz KTSQOVUCKNVJDK-IRXDYDNUSA-N 1 1 350.390 3.217 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000895013088 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FGEDMO CCCN1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000109786992 494917575 /nfs/dbraw/zinc/91/75/75/494917575.db2.gz HIQATHXZKSNBNA-UHFFFAOYSA-N 1 1 374.554 3.243 20 30 FGEDMO C=CCC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000122219027 494941877 /nfs/dbraw/zinc/94/18/77/494941877.db2.gz AQTQWHSXLJOUBA-MRXNPFEDSA-N 1 1 357.281 3.078 20 30 FGEDMO C=CCCOCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000122446283 494976386 /nfs/dbraw/zinc/97/63/86/494976386.db2.gz JULWNGIRTFAFRA-GOSISDBHSA-N 1 1 359.514 3.453 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000110658646 494998853 /nfs/dbraw/zinc/99/88/53/494998853.db2.gz DGGRLJYVVUTLIB-CALCHBBNSA-N 1 1 357.498 3.004 20 30 FGEDMO C=CCCOCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000122657062 495010851 /nfs/dbraw/zinc/01/08/51/495010851.db2.gz LHOGVVXVINOZSH-QUCCMNQESA-N 1 1 359.514 3.274 20 30 FGEDMO C[C@@H](c1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1)[NH+]1CCOCC1 ZINC000133470616 495017992 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Cc1ccc2ncc(C[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)n2c1 ZINC000122844873 495039530 /nfs/dbraw/zinc/03/95/30/495039530.db2.gz VSSJYBHKWTUNQE-UHFFFAOYSA-N 1 1 359.477 3.222 20 30 FGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000119160806 495106870 /nfs/dbraw/zinc/10/68/70/495106870.db2.gz FPFQCSLYFVQKDL-PXNSSMCTSA-N 1 1 367.493 3.191 20 30 FGEDMO C=CC1CCN(C(=O)N[C@@H](CC[N@H+](C)CCOC)c2ccccc2)CC1 ZINC000111855854 495122038 /nfs/dbraw/zinc/12/20/38/495122038.db2.gz CQMLUPKSWHVRLM-FQEVSTJZSA-N 1 1 359.514 3.304 20 30 FGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000134220742 495123301 /nfs/dbraw/zinc/12/33/01/495123301.db2.gz BFPITWFHOPTFTC-ORAYPTAESA-N 1 1 369.852 3.474 20 30 FGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000134220742 495123303 /nfs/dbraw/zinc/12/33/03/495123303.db2.gz BFPITWFHOPTFTC-ORAYPTAESA-N 1 1 369.852 3.474 20 30 FGEDMO C=C(C)CN(CC)C(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000111888841 495125791 /nfs/dbraw/zinc/12/57/91/495125791.db2.gz UFJISRDQTOGDEG-UHFFFAOYSA-N 1 1 350.532 3.271 20 30 FGEDMO C=CCOc1ccc(/C=C/C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000123644417 495165774 /nfs/dbraw/zinc/16/57/74/495165774.db2.gz MLZHSFYGEJYYJK-JLLINPMKSA-N 1 1 358.482 3.214 20 30 FGEDMO COc1cc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccc1C#N ZINC000568736793 505765710 /nfs/dbraw/zinc/76/57/10/505765710.db2.gz BENQUIODVSKYDA-IBGZPJMESA-N 1 1 370.497 3.163 20 30 FGEDMO COC(=O)CC[N@H+](Cc1ccc(C#N)s1)Cc1ccc(F)c(F)c1 ZINC000123838810 495194809 /nfs/dbraw/zinc/19/48/09/495194809.db2.gz JAWVVWOUVMPIOY-UHFFFAOYSA-N 1 1 350.390 3.463 20 30 FGEDMO COC(=O)CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(F)c(F)c1 ZINC000123838810 495194811 /nfs/dbraw/zinc/19/48/11/495194811.db2.gz JAWVVWOUVMPIOY-UHFFFAOYSA-N 1 1 350.390 3.463 20 30 FGEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000119636991 495207638 /nfs/dbraw/zinc/20/76/38/495207638.db2.gz CXPGMISNCMNABY-AWEZNQCLSA-N 1 1 354.479 3.497 20 30 FGEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000119636991 495207641 /nfs/dbraw/zinc/20/76/41/495207641.db2.gz CXPGMISNCMNABY-AWEZNQCLSA-N 1 1 354.479 3.497 20 30 FGEDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000123948735 495210461 /nfs/dbraw/zinc/21/04/61/495210461.db2.gz BODZYKRTDCOMBU-STQMWFEESA-N 1 1 364.877 3.221 20 30 FGEDMO C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000134867176 495212172 /nfs/dbraw/zinc/21/21/72/495212172.db2.gz JESZTYFEQKIJFX-IFXJQAMLSA-N 1 1 353.853 3.468 20 30 FGEDMO C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)[N@H+]1CCc2ccccc2C1 ZINC000134867176 495212177 /nfs/dbraw/zinc/21/21/77/495212177.db2.gz JESZTYFEQKIJFX-IFXJQAMLSA-N 1 1 353.853 3.468 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1C ZINC000112700295 495225029 /nfs/dbraw/zinc/22/50/29/495225029.db2.gz YDQNMDULOAIUQQ-SFHVURJKSA-N 1 1 373.541 3.348 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1C ZINC000112700295 495225033 /nfs/dbraw/zinc/22/50/33/495225033.db2.gz YDQNMDULOAIUQQ-SFHVURJKSA-N 1 1 373.541 3.348 20 30 FGEDMO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(OC)c(C#N)c1 ZINC000135067675 495246579 /nfs/dbraw/zinc/24/65/79/495246579.db2.gz PAVSQQRBYOEUIY-UHFFFAOYSA-N 1 1 374.387 3.410 20 30 FGEDMO Cc1ccccc1CNC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714547 495300370 /nfs/dbraw/zinc/30/03/70/495300370.db2.gz OFZWSSOZYSRINK-UHFFFAOYSA-N 1 1 363.461 3.026 20 30 FGEDMO C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715597 495300432 /nfs/dbraw/zinc/30/04/32/495300432.db2.gz CWUQPLVQYRKYAM-QGZVFWFLSA-N 1 1 363.461 3.106 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F ZINC000120092324 495305354 /nfs/dbraw/zinc/30/53/54/495305354.db2.gz YLIAFRHHHIOQJD-ACJLOTCBSA-N 1 1 355.388 3.087 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000113933951 495336515 /nfs/dbraw/zinc/33/65/15/495336515.db2.gz YVCRDEZZLOFPOD-PKOBYXMFSA-N 1 1 354.498 3.083 20 30 FGEDMO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000113951622 495339693 /nfs/dbraw/zinc/33/96/93/495339693.db2.gz DBNQLUSUXYNWFB-KOLCDFICSA-N 1 1 358.467 3.391 20 30 FGEDMO C=CCNc1ncc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)s1 ZINC000136193433 495363497 /nfs/dbraw/zinc/36/34/97/495363497.db2.gz XSGFKSINNHWKAK-UHFFFAOYSA-N 1 1 362.543 3.469 20 30 FGEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000120505645 495393663 /nfs/dbraw/zinc/39/36/63/495393663.db2.gz FOFQQMLPMWJHTO-IAGOWNOFSA-N 1 1 356.470 3.436 20 30 FGEDMO C[N@H+]1CCCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000114675467 495407365 /nfs/dbraw/zinc/40/73/65/495407365.db2.gz CGUPDLJMSZGULS-UHFFFAOYSA-N 1 1 353.397 3.267 20 30 FGEDMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000114724556 495415938 /nfs/dbraw/zinc/41/59/38/495415938.db2.gz XMSXAXIDPQOWKW-SFHVURJKSA-N 1 1 365.433 3.351 20 30 FGEDMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000114724556 495415940 /nfs/dbraw/zinc/41/59/40/495415940.db2.gz XMSXAXIDPQOWKW-SFHVURJKSA-N 1 1 365.433 3.351 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000125263478 495416573 /nfs/dbraw/zinc/41/65/73/495416573.db2.gz UZIXVTFVGKTPPT-KRWDZBQOSA-N 1 1 364.449 3.121 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000130881013 495460994 /nfs/dbraw/zinc/46/09/94/495460994.db2.gz NBRBPVDTYSKDBX-SFTDATJTSA-N 1 1 350.462 3.057 20 30 FGEDMO CC[NH+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000106725324 495489403 /nfs/dbraw/zinc/48/94/03/495489403.db2.gz CYZVNZQOOGTDTJ-UHFFFAOYSA-N 1 1 353.397 3.267 20 30 FGEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000125757725 495493837 /nfs/dbraw/zinc/49/38/37/495493837.db2.gz BDNHEXTYFQQXRR-UHFFFAOYSA-N 1 1 363.461 3.220 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106790344 495497102 /nfs/dbraw/zinc/49/71/02/495497102.db2.gz NLYPSLDJYZQEMM-FXAWDEMLSA-N 1 1 355.482 3.095 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)O)c1C#N ZINC000106863051 495502359 /nfs/dbraw/zinc/50/23/59/495502359.db2.gz DTCMWIZFNVSJHD-APWZRJJASA-N 1 1 372.513 3.266 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)O)c1C#N ZINC000106863051 495502363 /nfs/dbraw/zinc/50/23/63/495502363.db2.gz DTCMWIZFNVSJHD-APWZRJJASA-N 1 1 372.513 3.266 20 30 FGEDMO N#Cc1ccc([C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C(N)=O)cc1 ZINC000115599355 495521168 /nfs/dbraw/zinc/52/11/68/495521168.db2.gz CNWFMDVVRABIHM-IAGOWNOFSA-N 1 1 370.250 3.124 20 30 FGEDMO N#Cc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)nc1 ZINC000107538889 495528728 /nfs/dbraw/zinc/52/87/28/495528728.db2.gz IZJZJHAFCZQOAP-UHFFFAOYSA-N 1 1 356.429 3.064 20 30 FGEDMO CC[N@@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000179453255 495597252 /nfs/dbraw/zinc/59/72/52/495597252.db2.gz AZYKRYAOBBRHRF-MRXNPFEDSA-N 1 1 371.506 3.392 20 30 FGEDMO O=C(NC[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000154456961 495621684 /nfs/dbraw/zinc/62/16/84/495621684.db2.gz ZTHHVQUKVIQMSB-LJQANCHMSA-N 1 1 350.437 3.319 20 30 FGEDMO C=CCOc1ccc(C[N@@H+](CCCC)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000179613428 495660441 /nfs/dbraw/zinc/66/04/41/495660441.db2.gz REHPEUAOIFOGIV-KRWDZBQOSA-N 1 1 367.511 3.049 20 30 FGEDMO C=CCOc1ccc(C[N@H+](CCCC)[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000179613428 495660446 /nfs/dbraw/zinc/66/04/46/495660446.db2.gz REHPEUAOIFOGIV-KRWDZBQOSA-N 1 1 367.511 3.049 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000182684820 495663824 /nfs/dbraw/zinc/66/38/24/495663824.db2.gz FPVYAKDYNVTRAT-OAHLLOKOSA-N 1 1 351.410 3.053 20 30 FGEDMO C=C(C)C[C@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000185664241 495668758 /nfs/dbraw/zinc/66/87/58/495668758.db2.gz VDNBFVPXQWSOBA-QFBILLFUSA-N 1 1 357.498 3.394 20 30 FGEDMO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1OCC(=O)N(C)C ZINC000179730004 495709468 /nfs/dbraw/zinc/70/94/68/495709468.db2.gz CLNMREWFAJDFIB-IBGZPJMESA-N 1 1 369.440 3.405 20 30 FGEDMO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179743327 495714729 /nfs/dbraw/zinc/71/47/29/495714729.db2.gz MJDGLQJFTCOYCI-UHFFFAOYSA-N 1 1 368.444 3.076 20 30 FGEDMO N#Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1Br ZINC000580619764 505799179 /nfs/dbraw/zinc/79/91/79/505799179.db2.gz RSRXKPYBQKZJSM-AWEZNQCLSA-N 1 1 362.271 3.067 20 30 FGEDMO Cn1cc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(C(C)(C)C)n1 ZINC000179888680 495772624 /nfs/dbraw/zinc/77/26/24/495772624.db2.gz OTNQMYRUHHBCFJ-UHFFFAOYSA-N 1 1 355.461 3.051 20 30 FGEDMO N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4ccsc4)CC3)C2=O)cc1 ZINC000185936237 495787784 /nfs/dbraw/zinc/78/77/84/495787784.db2.gz IOZWMEBKJLIUQH-GOSISDBHSA-N 1 1 365.458 3.131 20 30 FGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#N)n1 ZINC000574569510 505805153 /nfs/dbraw/zinc/80/51/53/505805153.db2.gz TZBWFNDCPQJMFK-SFHVURJKSA-N 1 1 363.465 3.329 20 30 FGEDMO Cn1cc(CNCC(C)(C)[NH+]2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180028724 495829829 /nfs/dbraw/zinc/82/98/29/495829829.db2.gz NNITVURPJYBVHH-UHFFFAOYSA-N 1 1 351.498 3.313 20 30 FGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)cc1 ZINC000155134440 495848780 /nfs/dbraw/zinc/84/87/80/495848780.db2.gz JTWGIJSLGQMAGJ-IAGOWNOFSA-N 1 1 351.922 3.104 20 30 FGEDMO CC(C)C[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000174191739 495856403 /nfs/dbraw/zinc/85/64/03/495856403.db2.gz OXSVKTQPNXKDMF-MRXNPFEDSA-N 1 1 351.454 3.050 20 30 FGEDMO CC(C)C[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000174191739 495856406 /nfs/dbraw/zinc/85/64/06/495856406.db2.gz OXSVKTQPNXKDMF-MRXNPFEDSA-N 1 1 351.454 3.050 20 30 FGEDMO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174245428 495880361 /nfs/dbraw/zinc/88/03/61/495880361.db2.gz XFXRKSYPKHQWFI-CQSZACIVSA-N 1 1 361.467 3.033 20 30 FGEDMO CCc1oc(C(=O)OC)cc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000177028540 495890022 /nfs/dbraw/zinc/89/00/22/495890022.db2.gz UUTCTURXRPPOKD-UHFFFAOYSA-N 1 1 367.449 3.213 20 30 FGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000180194464 495899401 /nfs/dbraw/zinc/89/94/01/495899401.db2.gz XWBFBASHFJVRNA-LEWJYISDSA-N 1 1 363.509 3.406 20 30 FGEDMO C=CC[C@H](C)[C@H](C)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000183282158 495914935 /nfs/dbraw/zinc/91/49/35/495914935.db2.gz APKQYZYEECGZLX-HOTGVXAUSA-N 1 1 363.477 3.499 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177087191 495918565 /nfs/dbraw/zinc/91/85/65/495918565.db2.gz LEPUDJSAZMZHNH-KDURUIRLSA-N 1 1 359.945 3.182 20 30 FGEDMO Cn1cc(CN[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180266056 495930368 /nfs/dbraw/zinc/93/03/68/495930368.db2.gz QIBPGBCUOSKUQS-OAQYLSRUSA-N 1 1 363.509 3.313 20 30 FGEDMO Cn1cc(C[NH2+][C@@H]2CCN(CC3CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180266056 495930377 /nfs/dbraw/zinc/93/03/77/495930377.db2.gz QIBPGBCUOSKUQS-OAQYLSRUSA-N 1 1 363.509 3.313 20 30 FGEDMO Cc1csc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1 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ZRGJGLQSWJHYKZ-UHFFFAOYSA-N 1 1 355.482 3.217 20 30 FGEDMO C=CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000188381400 496771209 /nfs/dbraw/zinc/77/12/09/496771209.db2.gz PAVGGKATZQRXTD-SFHVURJKSA-N 1 1 359.267 3.430 20 30 FGEDMO CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000191504484 496787294 /nfs/dbraw/zinc/78/72/94/496787294.db2.gz JUSVLDFSSOZCEP-UHFFFAOYSA-N 1 1 373.888 3.321 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000188472217 496800791 /nfs/dbraw/zinc/80/07/91/496800791.db2.gz XHFMALUVOJSNFZ-DOTOQJQBSA-N 1 1 351.425 3.480 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247459878 496862941 /nfs/dbraw/zinc/86/29/41/496862941.db2.gz QSAMHTIPGALPHB-BBWFWOEESA-N 1 1 372.538 3.188 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCc4cccnc43)CC2)cc1 ZINC000195358041 496900766 /nfs/dbraw/zinc/90/07/66/496900766.db2.gz BOLWSGFKFFXAKS-NRFANRHFSA-N 1 1 374.488 3.108 20 30 FGEDMO 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CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C1 ZINC000329965916 497973211 /nfs/dbraw/zinc/97/32/11/497973211.db2.gz UPEZSSHAVHOYCX-AEFFLSMTSA-N 1 1 364.534 3.384 20 30 FGEDMO COc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Br ZINC000329995090 497984366 /nfs/dbraw/zinc/98/43/66/497984366.db2.gz ZVPHDCSIXDJZGU-KGLIPLIRSA-N 1 1 368.275 3.220 20 30 FGEDMO N#Cc1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)cc1C(F)(F)F ZINC000301188521 497991146 /nfs/dbraw/zinc/99/11/46/497991146.db2.gz UPWRBIWEPZNGTN-MRXNPFEDSA-N 1 1 371.428 3.197 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000281092969 498017113 /nfs/dbraw/zinc/01/71/13/498017113.db2.gz URFKGLYGMVGWOM-NRDMVMEKSA-N 1 1 371.525 3.320 20 30 FGEDMO O=C(C[NH+]1CCC(c2nnc3n2CCCC3)CC1)NCC1CCCCC1 ZINC000330129145 498031233 /nfs/dbraw/zinc/03/12/33/498031233.db2.gz DUQMKJYONCLPHQ-UHFFFAOYSA-N 1 1 359.518 3.331 20 30 FGEDMO CCc1c(NC(=O)N2CC[NH+](C3CC3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000330133420 498034687 /nfs/dbraw/zinc/03/46/87/498034687.db2.gz RBLPIQGAJFQABH-UHFFFAOYSA-N 1 1 373.888 3.414 20 30 FGEDMO Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)nn1 ZINC000330160100 498044756 /nfs/dbraw/zinc/04/47/56/498044756.db2.gz RPLJAZFDWMLAHH-ROUUACIJSA-N 1 1 371.529 3.365 20 30 FGEDMO N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000296443945 498046335 /nfs/dbraw/zinc/04/63/35/498046335.db2.gz UPCDCLSAEWLKDU-BBWFWOEESA-N 1 1 360.527 3.342 20 30 FGEDMO [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000330182253 498052618 /nfs/dbraw/zinc/05/26/18/498052618.db2.gz HDQZCTBFSDKZSC-MRXNPFEDSA-N 1 1 363.465 3.473 20 30 FGEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000330199826 498059232 /nfs/dbraw/zinc/05/92/32/498059232.db2.gz VYBRGXCUVZQIER-UKRRQHHQSA-N 1 1 360.845 3.269 20 30 FGEDMO CCn1cc(-c2n[nH]cc2C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000330216812 498065617 /nfs/dbraw/zinc/06/56/17/498065617.db2.gz HZNBMIHXWQLECZ-GASCZTMLSA-N 1 1 372.517 3.354 20 30 FGEDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000281249289 498072636 /nfs/dbraw/zinc/07/26/36/498072636.db2.gz XFAWCECSQQYTKJ-JOCHJYFZSA-N 1 1 363.461 3.095 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000330250220 498078475 /nfs/dbraw/zinc/07/84/75/498078475.db2.gz MWCSPBJYKNTIKR-YVEFUNNKSA-N 1 1 367.396 3.012 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000330270099 498087697 /nfs/dbraw/zinc/08/76/97/498087697.db2.gz SWJKDOVWEPSZRM-QXCFHYIPSA-N 1 1 370.497 3.319 20 30 FGEDMO CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cn1 ZINC000330331092 498108055 /nfs/dbraw/zinc/10/80/55/498108055.db2.gz NVTKCKVKBSJAJH-RYGJVYDSSA-N 1 1 368.481 3.136 20 30 FGEDMO CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cn1 ZINC000330331092 498108063 /nfs/dbraw/zinc/10/80/63/498108063.db2.gz NVTKCKVKBSJAJH-RYGJVYDSSA-N 1 1 368.481 3.136 20 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498191429 /nfs/dbraw/zinc/19/14/29/498191429.db2.gz OXTJTLCZDGPKIJ-UHFFFAOYSA-N 1 1 368.506 3.486 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000330787856 498194591 /nfs/dbraw/zinc/19/45/91/498194591.db2.gz XUALGBYUPIVJKU-XODKDNOYSA-N 1 1 362.562 3.016 20 30 FGEDMO C[C@@H]1C[N@H+](CCCNc2cc(Br)c(C#N)cc2F)C[C@H](C)O1 ZINC000578696808 505999083 /nfs/dbraw/zinc/99/90/83/505999083.db2.gz BRDODPVJYWXUJS-TXEJJXNPSA-N 1 1 370.266 3.371 20 30 FGEDMO N#Cc1ccc(CC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285889140 498231393 /nfs/dbraw/zinc/23/13/93/498231393.db2.gz RGVWQXYZVHKBMG-HSZRJFAPSA-N 1 1 359.473 3.225 20 30 FGEDMO N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000572573267 506001229 /nfs/dbraw/zinc/00/12/29/506001229.db2.gz SORKBVZORBECAI-IBGZPJMESA-N 1 1 366.509 3.262 20 30 FGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCN(c2cccc(F)c2)CC1 ZINC000360038710 498239181 /nfs/dbraw/zinc/23/91/81/498239181.db2.gz WHFREIOGODHARI-OAQYLSRUSA-N 1 1 353.441 3.332 20 30 FGEDMO C[NH+](C)Cc1cc(NC(=O)Cc2cccc(OCC#N)c2)ccc1Cl ZINC000281704903 498241739 /nfs/dbraw/zinc/24/17/39/498241739.db2.gz QPCAQNNCKTTZLE-UHFFFAOYSA-N 1 1 357.841 3.485 20 30 FGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CCc1nc(-c2ccccc2)no1 ZINC000285927688 498243073 /nfs/dbraw/zinc/24/30/73/498243073.db2.gz LONRCKVBZJTWDO-UHFFFAOYSA-N 1 1 354.454 3.311 20 30 FGEDMO Cc1cc(F)cc2c1ncc(C#N)c2N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000301757400 498254334 /nfs/dbraw/zinc/25/43/34/498254334.db2.gz AOXMSCNRUXZTQG-UHFFFAOYSA-N 1 1 370.472 3.349 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285987409 498259210 /nfs/dbraw/zinc/25/92/10/498259210.db2.gz XNMWHOPEPVGPFB-KCZVDYSFSA-N 1 1 354.494 3.092 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(OC)c(OC)cc2OC)C[C@@H]1C ZINC000331173372 498267472 /nfs/dbraw/zinc/26/74/72/498267472.db2.gz OXJQNHLURMHNLU-UONOGXRCSA-N 1 1 365.474 3.063 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)c(N(C)C)cc2C#N)[C@@H](C)C1 ZINC000331225636 498278401 /nfs/dbraw/zinc/27/84/01/498278401.db2.gz CHUQEYDTRDRFFO-MAUKXSAKSA-N 1 1 357.502 3.127 20 30 FGEDMO CC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000331229468 498279365 /nfs/dbraw/zinc/27/93/65/498279365.db2.gz COUHAKZBPXYJKE-FZMZJTMJSA-N 1 1 352.866 3.258 20 30 FGEDMO CCc1cc(C)cc(CC)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000331232643 498281050 /nfs/dbraw/zinc/28/10/50/498281050.db2.gz ISVARFZNERRAIR-APWZRJJASA-N 1 1 361.530 3.442 20 30 FGEDMO C[C@H](NC(=O)[C@]1(C#N)CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000360715400 498302227 /nfs/dbraw/zinc/30/22/27/498302227.db2.gz GRNJGQQQUKJDNG-XTQVGHSUSA-N 1 1 365.521 3.454 20 30 FGEDMO Cc1ccc([C@@H](c2ccccn2)[N@H+](C)CCC(=O)N(C)CCC#N)cc1 ZINC000360810568 498314037 /nfs/dbraw/zinc/31/40/37/498314037.db2.gz MGUPWNDUFKHPFR-NRFANRHFSA-N 1 1 350.466 3.173 20 30 FGEDMO N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281931001 498322918 /nfs/dbraw/zinc/32/29/18/498322918.db2.gz OTTSZBWTPQKJKO-HNNXBMFYSA-N 1 1 351.410 3.383 20 30 FGEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC000293261230 498323294 /nfs/dbraw/zinc/32/32/94/498323294.db2.gz XLSPKOSHCVQHEG-OLZOCXBDSA-N 1 1 368.359 3.428 20 30 FGEDMO N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000281931004 498323494 /nfs/dbraw/zinc/32/34/94/498323494.db2.gz OTTSZBWTPQKJKO-OAHLLOKOSA-N 1 1 351.410 3.383 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000281961104 498334465 /nfs/dbraw/zinc/33/44/65/498334465.db2.gz GEDPFIYVVRPVGH-QUCCMNQESA-N 1 1 350.466 3.004 20 30 FGEDMO COc1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1OCCCC#N ZINC000572644870 506019418 /nfs/dbraw/zinc/01/94/18/506019418.db2.gz OJEHILBMRVMYNR-IBGZPJMESA-N 1 1 362.495 3.086 20 30 FGEDMO COc1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)cc1OCCCC#N ZINC000572644870 506019422 /nfs/dbraw/zinc/01/94/22/506019422.db2.gz OJEHILBMRVMYNR-IBGZPJMESA-N 1 1 362.495 3.086 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@@]3(CCC[C@@H]3NC(=O)OC(C)(C)C)C2)cc1C#N ZINC000365234609 498364322 /nfs/dbraw/zinc/36/43/22/498364322.db2.gz OPWXPEQSJSPXGA-PXNSSMCTSA-N 1 1 358.486 3.166 20 30 FGEDMO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000365241901 498369908 /nfs/dbraw/zinc/36/99/08/498369908.db2.gz SRGZHFSHFCGOAY-IBGZPJMESA-N 1 1 363.465 3.295 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000286379704 498380502 /nfs/dbraw/zinc/38/05/02/498380502.db2.gz ZGTQYTUDSKDHBC-DLBZAZTESA-N 1 1 359.514 3.457 20 30 FGEDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1C#N ZINC000361666832 498417382 /nfs/dbraw/zinc/41/73/82/498417382.db2.gz KVUBKGHTNIFCKK-AEFFLSMTSA-N 1 1 365.481 3.370 20 30 FGEDMO C=CCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000569857816 506032888 /nfs/dbraw/zinc/03/28/88/506032888.db2.gz KZGLBVKDEDIDKB-QZTJIDSGSA-N 1 1 369.513 3.270 20 30 FGEDMO 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/nfs/dbraw/zinc/10/09/53/500100953.db2.gz ORSXOLLOBOIPKA-QMMLZNLJSA-N 1 1 371.525 3.309 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000425534920 500135725 /nfs/dbraw/zinc/13/57/25/500135725.db2.gz MOYYTHQZYGKNSH-CQSZACIVSA-N 1 1 353.470 3.221 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000425534920 500135727 /nfs/dbraw/zinc/13/57/27/500135727.db2.gz MOYYTHQZYGKNSH-CQSZACIVSA-N 1 1 353.470 3.221 20 30 FGEDMO COC(=O)c1sccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535156 500135861 /nfs/dbraw/zinc/13/58/61/500135861.db2.gz GULKAIYRLABYTI-LBPRGKRZSA-N 1 1 357.435 3.038 20 30 FGEDMO COC(=O)c1sccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535156 500135863 /nfs/dbraw/zinc/13/58/63/500135863.db2.gz GULKAIYRLABYTI-LBPRGKRZSA-N 1 1 357.435 3.038 20 30 FGEDMO COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539692 500138688 /nfs/dbraw/zinc/13/86/88/500138688.db2.gz UGSAMTVIGJTUSK-YJBOKZPZSA-N 1 1 370.449 3.008 20 30 FGEDMO COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539532 500138736 /nfs/dbraw/zinc/13/87/36/500138736.db2.gz MWEDCALCNSZRKP-HOTGVXAUSA-N 1 1 351.450 3.437 20 30 FGEDMO COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539532 500138738 /nfs/dbraw/zinc/13/87/38/500138738.db2.gz MWEDCALCNSZRKP-HOTGVXAUSA-N 1 1 351.450 3.437 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(C#N)c1C ZINC000425557820 500146240 /nfs/dbraw/zinc/14/62/40/500146240.db2.gz WYSMNMFVNUTCNH-KBXCAEBGSA-N 1 1 371.481 3.376 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c(C#N)c1C ZINC000425557820 500146244 /nfs/dbraw/zinc/14/62/44/500146244.db2.gz WYSMNMFVNUTCNH-KBXCAEBGSA-N 1 1 371.481 3.376 20 30 FGEDMO Cc1ccc(-c2nc3ccccc3n2C[C@@H](O)C[N@H+](C)CCC#N)s1 ZINC000414123950 500158908 /nfs/dbraw/zinc/15/89/08/500158908.db2.gz CFKFILNNTOGPRB-HNNXBMFYSA-N 1 1 354.479 3.280 20 30 FGEDMO Cc1ccc(-c2nc3ccccc3n2C[C@@H](O)C[N@@H+](C)CCC#N)s1 ZINC000414123950 500158909 /nfs/dbraw/zinc/15/89/09/500158909.db2.gz CFKFILNNTOGPRB-HNNXBMFYSA-N 1 1 354.479 3.280 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(O)cc(C(F)(F)F)c3)C2)nc1 ZINC000430183357 500205479 /nfs/dbraw/zinc/20/54/79/500205479.db2.gz ALZRKJNJDVQALG-MRXNPFEDSA-N 1 1 363.339 3.331 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(O)cc(C(F)(F)F)c3)C2)nc1 ZINC000430183357 500205480 /nfs/dbraw/zinc/20/54/80/500205480.db2.gz ALZRKJNJDVQALG-MRXNPFEDSA-N 1 1 363.339 3.331 20 30 FGEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430188475 500206287 /nfs/dbraw/zinc/20/62/87/500206287.db2.gz SHOAPDCANGUJSG-POUQMFDLSA-N 1 1 364.405 3.418 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)cc1OC ZINC000425971151 500219008 /nfs/dbraw/zinc/21/90/08/500219008.db2.gz MVUSZNPEJMCXJJ-GXTWGEPZSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](CO)[C@@H]2C)cc1OC ZINC000425971151 500219010 /nfs/dbraw/zinc/21/90/10/500219010.db2.gz MVUSZNPEJMCXJJ-GXTWGEPZSA-N 1 1 370.287 3.225 20 30 FGEDMO C[N@@H+](CC1(O)CCCCCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000426211593 500248373 /nfs/dbraw/zinc/24/83/73/500248373.db2.gz CQDXCLSSFBZWSN-LJQANCHMSA-N 1 1 355.482 3.071 20 30 FGEDMO C[N@@H+](CC1(O)CCCCCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000426211592 500248446 /nfs/dbraw/zinc/24/84/46/500248446.db2.gz CQDXCLSSFBZWSN-IBGZPJMESA-N 1 1 355.482 3.071 20 30 FGEDMO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000570519706 506185781 /nfs/dbraw/zinc/18/57/81/506185781.db2.gz XZMPPLRUVCIQBS-BBRMVZONSA-N 1 1 359.426 3.266 20 30 FGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000570519706 506185784 /nfs/dbraw/zinc/18/57/84/506185784.db2.gz XZMPPLRUVCIQBS-BBRMVZONSA-N 1 1 359.426 3.266 20 30 FGEDMO O=C(C[N@H+]1CC[C@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000426461817 500274732 /nfs/dbraw/zinc/27/47/32/500274732.db2.gz PNGAXBXJGSLVTG-NVXWUHKLSA-N 1 1 350.384 3.048 20 30 FGEDMO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055286 500336182 /nfs/dbraw/zinc/33/61/82/500336182.db2.gz DASSQJRUSAQPJV-XZSMBWTPSA-N 1 1 364.493 3.191 20 30 FGEDMO COCCCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000419393801 500360785 /nfs/dbraw/zinc/36/07/85/500360785.db2.gz UVBLMPHNXFLDOT-UHFFFAOYSA-N 1 1 368.481 3.263 20 30 FGEDMO C[C@H]1C[C@H](CCNC(=O)NCC2(C#N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000419478202 500369594 /nfs/dbraw/zinc/36/95/94/500369594.db2.gz QZSPHJJVLPBSCA-HKUYNNGSSA-N 1 1 354.498 3.280 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@@H]1C ZINC000419632458 500386164 /nfs/dbraw/zinc/38/61/64/500386164.db2.gz FYXQUPLMBCWHGV-ZAAXVRCTSA-N 1 1 354.498 3.450 20 30 FGEDMO C=CCSc1ccccc1NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340600 500444606 /nfs/dbraw/zinc/44/46/06/500444606.db2.gz MUVFPLYHFGXFJP-SJORKVTESA-N 1 1 359.539 3.225 20 30 FGEDMO C=CCn1c(-c2scnc2C)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000570569039 506197629 /nfs/dbraw/zinc/19/76/29/506197629.db2.gz DNHXGRWRBYAJJP-UHFFFAOYSA-N 1 1 360.531 3.207 20 30 FGEDMO C[C@@H]1[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000582380063 506199102 /nfs/dbraw/zinc/19/91/02/506199102.db2.gz MUQZLZWMMBZXPO-UTKZUKDTSA-N 1 1 359.473 3.369 20 30 FGEDMO N#Cc1cc2c(nc1NC[C@H]1CSCC[N@H+]1Cc1ccccc1)CCC2 ZINC000428660030 500539292 /nfs/dbraw/zinc/53/92/92/500539292.db2.gz YYURLTRZTFGXMO-IBGZPJMESA-N 1 1 364.518 3.471 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)C[C@H]1CCC[N@H+]1C ZINC000421016511 500554831 /nfs/dbraw/zinc/55/48/31/500554831.db2.gz YFAOCCFCWBBGSG-HZPDHXFCSA-N 1 1 360.527 3.045 20 30 FGEDMO CCCOc1ccc(OCC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000428770888 500555549 /nfs/dbraw/zinc/55/55/49/500555549.db2.gz GXSBQWWEFIZDIB-FQEVSTJZSA-N 1 1 367.449 3.274 20 30 FGEDMO CC(C)(C)Oc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000428776112 500556144 /nfs/dbraw/zinc/55/61/44/500556144.db2.gz DKWAHQHIVGUAIU-QGZVFWFLSA-N 1 1 352.438 3.179 20 30 FGEDMO CC(C)(C)Oc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000428776112 500556146 /nfs/dbraw/zinc/55/61/46/500556146.db2.gz DKWAHQHIVGUAIU-QGZVFWFLSA-N 1 1 352.438 3.179 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)N1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC(O)C1 ZINC000442672037 500609984 /nfs/dbraw/zinc/60/99/84/500609984.db2.gz HWZVOQWOLWGGLW-ROUUACIJSA-N 1 1 374.488 3.231 20 30 FGEDMO CN(C)C(=O)Cc1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cs1 ZINC000433036511 500610385 /nfs/dbraw/zinc/61/03/85/500610385.db2.gz VZIXJLAFRDLPPA-KRWDZBQOSA-N 1 1 356.495 3.299 20 30 FGEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)Cc1ccccc1 ZINC000433048061 500613624 /nfs/dbraw/zinc/61/36/24/500613624.db2.gz ZCLBNNWTAJPCRM-QGZVFWFLSA-N 1 1 359.267 3.356 20 30 FGEDMO C[N@H+](Cc1cc(C#N)ccc1Br)C[C@H](O)Cc1ccccc1 ZINC000433048061 500613627 /nfs/dbraw/zinc/61/36/27/500613627.db2.gz ZCLBNNWTAJPCRM-QGZVFWFLSA-N 1 1 359.267 3.356 20 30 FGEDMO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437900976 500714698 /nfs/dbraw/zinc/71/46/98/500714698.db2.gz IMPZQUWNUMHOKJ-HNNXBMFYSA-N 1 1 372.419 3.433 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000438052132 500731533 /nfs/dbraw/zinc/73/15/33/500731533.db2.gz DCNHWXFCSJJBPO-HBMCJLEFSA-N 1 1 371.525 3.274 20 30 FGEDMO C=CCc1cc(CNc2[nH+]c3cccc(F)c3n2C)cc(OC)c1OC ZINC000443515906 500733637 /nfs/dbraw/zinc/73/36/37/500733637.db2.gz LZCRHBNCQCTRGC-UHFFFAOYSA-N 1 1 355.413 3.492 20 30 FGEDMO Cc1cc(S(=O)(=O)NCc2ccccc2C[N@H+](C)C(C)C)ccc1C#N ZINC000443961125 500784551 /nfs/dbraw/zinc/78/45/51/500784551.db2.gz JYYNMNBYKZEOJJ-UHFFFAOYSA-N 1 1 371.506 3.185 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438451072 500787161 /nfs/dbraw/zinc/78/71/61/500787161.db2.gz GSJDEKWJXFMUSI-ACRUOGEOSA-N 1 1 371.525 3.274 20 30 FGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000438461062 500787827 /nfs/dbraw/zinc/78/78/27/500787827.db2.gz DENARUZSPZHUAA-SJORKVTESA-N 1 1 352.400 3.495 20 30 FGEDMO Cc1cc(CNc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)ccc1C#N ZINC000444002428 500790097 /nfs/dbraw/zinc/79/00/97/500790097.db2.gz FTXMQJHZKNKYED-FQEVSTJZSA-N 1 1 362.477 3.176 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCOCC2CC2)c1 ZINC000438521687 500796681 /nfs/dbraw/zinc/79/66/81/500796681.db2.gz ADFFQESEMUJSQQ-GOSISDBHSA-N 1 1 357.498 3.297 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCOCC2CC2)c1 ZINC000438521687 500796684 /nfs/dbraw/zinc/79/66/84/500796684.db2.gz ADFFQESEMUJSQQ-GOSISDBHSA-N 1 1 357.498 3.297 20 30 FGEDMO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000438639512 500810364 /nfs/dbraw/zinc/81/03/64/500810364.db2.gz WXCUIQGCCQIRBN-KBPBESRZSA-N 1 1 352.360 3.325 20 30 FGEDMO N#Cc1ccccc1OCC[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611577696 506220547 /nfs/dbraw/zinc/22/05/47/506220547.db2.gz VGVCSERFZGNEIS-SFHVURJKSA-N 1 1 364.367 3.362 20 30 FGEDMO N#Cc1ccccc1OCC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000611577696 506220552 /nfs/dbraw/zinc/22/05/52/506220552.db2.gz VGVCSERFZGNEIS-SFHVURJKSA-N 1 1 364.367 3.362 20 30 FGEDMO COc1cc(C(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)ccc1C ZINC000444584191 500862036 /nfs/dbraw/zinc/86/20/36/500862036.db2.gz RXUVQSHPIXSHMS-UHFFFAOYSA-N 1 1 357.498 3.482 20 30 FGEDMO CCOCC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000444640862 500872101 /nfs/dbraw/zinc/87/21/01/500872101.db2.gz QABGQNBMQJEIGV-OAQYLSRUSA-N 1 1 356.441 3.487 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CCCCCO ZINC000434680317 500878598 /nfs/dbraw/zinc/87/85/98/500878598.db2.gz IDLBDMLYRMGOHR-CQSZACIVSA-N 1 1 363.527 3.310 20 30 FGEDMO CC(C)[NH+]1CCN(C2CCN(Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000439447181 500897964 /nfs/dbraw/zinc/89/79/64/500897964.db2.gz FRZNUUNNYIUVFQ-UHFFFAOYSA-N 1 1 360.933 3.202 20 30 FGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000439452744 500898481 /nfs/dbraw/zinc/89/84/81/500898481.db2.gz OTLQNUMFOHQLRT-KRWDZBQOSA-N 1 1 363.870 3.100 20 30 FGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000434891159 500908081 /nfs/dbraw/zinc/90/80/81/500908081.db2.gz FKMRVFXSJTWTFO-UZLBHIALSA-N 1 1 354.475 3.210 20 30 FGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000434891159 500908083 /nfs/dbraw/zinc/90/80/83/500908083.db2.gz FKMRVFXSJTWTFO-UZLBHIALSA-N 1 1 354.475 3.210 20 30 FGEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(C#N)cc1 ZINC000435135676 500937496 /nfs/dbraw/zinc/93/74/96/500937496.db2.gz SYFPGUKAGHUWLQ-UHFFFAOYSA-N 1 1 356.433 3.362 20 30 FGEDMO CN(C(=O)C1(c2cccc(C#N)c2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000435265107 500949642 /nfs/dbraw/zinc/94/96/42/500949642.db2.gz YWWZSVKAWZEHRX-NRFANRHFSA-N 1 1 359.473 3.323 20 30 FGEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCCSCc1ccccc1C#N ZINC000592746749 506227143 /nfs/dbraw/zinc/22/71/43/506227143.db2.gz CYRAQHONHVACCQ-OAHLLOKOSA-N 1 1 356.495 3.318 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000440260809 500992351 /nfs/dbraw/zinc/99/23/51/500992351.db2.gz PANOWYGOLSYDAW-QUCCMNQESA-N 1 1 354.498 3.405 20 30 FGEDMO C=CCc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc(OC)c1O ZINC000449431624 501001132 /nfs/dbraw/zinc/00/11/32/501001132.db2.gz YQELCTHHOWJYGV-KNQAVFIVSA-N 1 1 371.452 3.429 20 30 FGEDMO COc1ccc(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)cc1C#N ZINC000449475685 501012870 /nfs/dbraw/zinc/01/28/70/501012870.db2.gz XWAXMMXWVBMNHA-UHFFFAOYSA-N 1 1 351.454 3.419 20 30 FGEDMO COc1cc(C[NH2+][C@H](CCSC)c2nnc3ccccn32)ccc1C#N ZINC000440810100 501050986 /nfs/dbraw/zinc/05/09/86/501050986.db2.gz QFCWYUAFIWRLCE-MRXNPFEDSA-N 1 1 367.478 3.194 20 30 FGEDMO N#CCC1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000611619697 506231794 /nfs/dbraw/zinc/23/17/94/506231794.db2.gz UPZAWWJCRGZAEP-HXUWFJFHSA-N 1 1 354.498 3.234 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000449675158 501058962 /nfs/dbraw/zinc/05/89/62/501058962.db2.gz YKZASZSBMIBBEK-YPMHNXCESA-N 1 1 352.278 3.322 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000449675158 501058965 /nfs/dbraw/zinc/05/89/65/501058965.db2.gz YKZASZSBMIBBEK-YPMHNXCESA-N 1 1 352.278 3.322 20 30 FGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441050607 501079884 /nfs/dbraw/zinc/07/98/84/501079884.db2.gz LOVHWDCEJCMROJ-LIRRHRJNSA-N 1 1 360.417 3.432 20 30 FGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441050607 501079889 /nfs/dbraw/zinc/07/98/89/501079889.db2.gz LOVHWDCEJCMROJ-LIRRHRJNSA-N 1 1 360.417 3.432 20 30 FGEDMO Cc1ccccc1C[NH+]1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000441050458 501079927 /nfs/dbraw/zinc/07/99/27/501079927.db2.gz ODUIMCVFQMBVII-UHFFFAOYSA-N 1 1 354.498 3.152 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C#N)c2Br)[C@H](C)C1 ZINC000449985011 501145661 /nfs/dbraw/zinc/14/56/61/501145661.db2.gz LAERNMPZQZPEEE-DOMZBBRYSA-N 1 1 364.287 3.123 20 30 FGEDMO C=CCC[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000441582133 501155964 /nfs/dbraw/zinc/15/59/64/501155964.db2.gz PZEGCRWRPPIGKB-JKSUJKDBSA-N 1 1 356.388 3.160 20 30 FGEDMO C=CCC[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccc(C(F)(F)F)cc1 ZINC000441582133 501155967 /nfs/dbraw/zinc/15/59/67/501155967.db2.gz PZEGCRWRPPIGKB-JKSUJKDBSA-N 1 1 356.388 3.160 20 30 FGEDMO C=CCC[C@@H]([NH2+]Cc1nc(-c2cc(OC)ncn2)no1)c1ccccc1 ZINC000450685858 501185770 /nfs/dbraw/zinc/18/57/70/501185770.db2.gz XRWBBJRNWUSDKD-OAHLLOKOSA-N 1 1 351.410 3.332 20 30 FGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2C#N)C1 ZINC000450142967 501192060 /nfs/dbraw/zinc/19/20/60/501192060.db2.gz CZABBBKDCMRKSB-CYBMUJFWSA-N 1 1 364.287 3.028 20 30 FGEDMO C[C@@H]1[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCC[N@H+]1C ZINC000442065788 501194597 /nfs/dbraw/zinc/19/45/97/501194597.db2.gz WQASNWQKOIDVJZ-ZWNOBZJWSA-N 1 1 356.348 3.061 20 30 FGEDMO C=CCC1(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCCCC1 ZINC000450175168 501200536 /nfs/dbraw/zinc/20/05/36/501200536.db2.gz VUWRUSZPGOYBDX-HXUWFJFHSA-N 1 1 356.510 3.048 20 30 FGEDMO CC(C)[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000442171115 501203839 /nfs/dbraw/zinc/20/38/39/501203839.db2.gz MREHPFPVWDPKIR-AWEZNQCLSA-N 1 1 370.375 3.261 20 30 FGEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3cccc(C#N)c3[N+](=O)[O-])c2)CCO1 ZINC000450275071 501223763 /nfs/dbraw/zinc/22/37/63/501223763.db2.gz IPWZBFLMIZJFLM-HNNXBMFYSA-N 1 1 366.421 3.299 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3cccc(C#N)c3[N+](=O)[O-])c2)CCO1 ZINC000450275071 501223765 /nfs/dbraw/zinc/22/37/65/501223765.db2.gz IPWZBFLMIZJFLM-HNNXBMFYSA-N 1 1 366.421 3.299 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1Cl ZINC000451054113 501242280 /nfs/dbraw/zinc/24/22/80/501242280.db2.gz HHNMFXHCBWULRN-OAHLLOKOSA-N 1 1 371.824 3.047 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1Cl ZINC000451054113 501242281 /nfs/dbraw/zinc/24/22/81/501242281.db2.gz HHNMFXHCBWULRN-OAHLLOKOSA-N 1 1 371.824 3.047 20 30 FGEDMO C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+](C2CC2)C1 ZINC000451077391 501243646 /nfs/dbraw/zinc/24/36/46/501243646.db2.gz BBIHWCZIBMPGIU-OAHLLOKOSA-N 1 1 352.400 3.353 20 30 FGEDMO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000451256294 501255492 /nfs/dbraw/zinc/25/54/92/501255492.db2.gz OKMYPEWMPLNDDT-YQQAZPJKSA-N 1 1 361.511 3.112 20 30 FGEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000451256294 501255493 /nfs/dbraw/zinc/25/54/93/501255493.db2.gz OKMYPEWMPLNDDT-YQQAZPJKSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000455271718 501259996 /nfs/dbraw/zinc/25/99/96/501259996.db2.gz JBSNVQJWPHPCOA-HBFSDRIKSA-N 1 1 354.498 3.232 20 30 FGEDMO C[C@H]1[C@H](O)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000451451220 501295310 /nfs/dbraw/zinc/29/53/10/501295310.db2.gz CKJZBTCHCZYJFH-XJKSGUPXSA-N 1 1 361.511 3.062 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000457837827 501319526 /nfs/dbraw/zinc/31/95/26/501319526.db2.gz ZSSRKKVFQWLVKV-LRSLUSHPSA-N 1 1 368.521 3.338 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000455547726 501331066 /nfs/dbraw/zinc/33/10/66/501331066.db2.gz RZLLOCPUFURANU-HNAYVOBHSA-N 1 1 366.440 3.160 20 30 FGEDMO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453448017 501333921 /nfs/dbraw/zinc/33/39/21/501333921.db2.gz BWVVBGPFKXPXBS-SJLPKXTDSA-N 1 1 359.518 3.016 20 30 FGEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000453453580 501335720 /nfs/dbraw/zinc/33/57/20/501335720.db2.gz OMPQQWLEWWPSAW-YQVWRLOYSA-N 1 1 368.529 3.026 20 30 FGEDMO C[N@H+]1CCC[C@H](CCNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000458170677 501384482 /nfs/dbraw/zinc/38/44/82/501384482.db2.gz PJQPCGQDGFRYMM-MRXNPFEDSA-N 1 1 367.449 3.192 20 30 FGEDMO O[C@H]([C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)C(F)(F)F ZINC000451891828 501394129 /nfs/dbraw/zinc/39/41/29/501394129.db2.gz OUGOOZORYUFJPL-GXTWGEPZSA-N 1 1 367.289 3.182 20 30 FGEDMO O[C@H]([C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)C(F)(F)F ZINC000451891828 501394132 /nfs/dbraw/zinc/39/41/32/501394132.db2.gz OUGOOZORYUFJPL-GXTWGEPZSA-N 1 1 367.289 3.182 20 30 FGEDMO CC#CCN(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000458612747 501488670 /nfs/dbraw/zinc/48/86/70/501488670.db2.gz IUTSMLBDGAXDLD-WMLDXEAASA-N 1 1 351.853 3.137 20 30 FGEDMO COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H](Oc3ccc(C#N)cn3)C1)CC2 ZINC000602673490 506256125 /nfs/dbraw/zinc/25/61/25/506256125.db2.gz UWKAZEXPYNJSOD-FUHWJXTLSA-N 1 1 365.433 3.111 20 30 FGEDMO C[C@@H](CNC(=O)NCc1ccc(C#N)c(F)c1)[N@@H+]1CCc2sccc2C1 ZINC000454242656 501490445 /nfs/dbraw/zinc/49/04/45/501490445.db2.gz DKDNDWRCJWXTBE-ZDUSSCGKSA-N 1 1 372.469 3.005 20 30 FGEDMO C[C@@H](CNC(=O)NCc1ccc(C#N)c(F)c1)[N@H+]1CCc2sccc2C1 ZINC000454242656 501490447 /nfs/dbraw/zinc/49/04/47/501490447.db2.gz DKDNDWRCJWXTBE-ZDUSSCGKSA-N 1 1 372.469 3.005 20 30 FGEDMO C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@H](C)[N@@H+]1C ZINC000454258090 501494061 /nfs/dbraw/zinc/49/40/61/501494061.db2.gz JCZULOGQWGCGLH-OKILXGFUSA-N 1 1 369.494 3.162 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCc3c(CC#N)cccc3C2)C1 ZINC000598977238 506257777 /nfs/dbraw/zinc/25/77/77/506257777.db2.gz STQGVVVEOLFGEB-QGZVFWFLSA-N 1 1 368.525 3.331 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000456853830 501610640 /nfs/dbraw/zinc/61/06/40/501610640.db2.gz ZXMCUYOVGPGAEP-DNVCBOLYSA-N 1 1 351.425 3.082 20 30 FGEDMO C[C@H](CC(F)(F)F)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000457396310 501693014 /nfs/dbraw/zinc/69/30/14/501693014.db2.gz HHGJIRGAAIWSIP-CQSZACIVSA-N 1 1 353.388 3.181 20 30 FGEDMO C[C@H](CC(F)(F)F)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000457396310 501693015 /nfs/dbraw/zinc/69/30/15/501693015.db2.gz HHGJIRGAAIWSIP-CQSZACIVSA-N 1 1 353.388 3.181 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459693704 501699892 /nfs/dbraw/zinc/69/98/92/501699892.db2.gz ZSKBDDUYHRFMNB-RYQLBKOJSA-N 1 1 360.523 3.152 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000457518193 501715371 /nfs/dbraw/zinc/71/53/71/501715371.db2.gz QMHCBXPOBYIJHB-WDSOQIARSA-N 1 1 362.539 3.448 20 30 FGEDMO C[C@@H](C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)C(=O)OC(C)(C)C ZINC000459810789 501717574 /nfs/dbraw/zinc/71/75/74/501717574.db2.gz QIIVUOGATKJCBE-LBPRGKRZSA-N 1 1 365.861 3.060 20 30 FGEDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)C(=O)OC(C)(C)C ZINC000459810789 501717575 /nfs/dbraw/zinc/71/75/75/501717575.db2.gz QIIVUOGATKJCBE-LBPRGKRZSA-N 1 1 365.861 3.060 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000467196839 501734370 /nfs/dbraw/zinc/73/43/70/501734370.db2.gz MARWJNSHNZIEFT-ICSRJNTNSA-N 1 1 357.498 3.440 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000467196839 501734375 /nfs/dbraw/zinc/73/43/75/501734375.db2.gz 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CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC000478004217 501850406 /nfs/dbraw/zinc/85/04/06/501850406.db2.gz QWOOREFAROLJBF-IRXDYDNUSA-N 1 1 361.873 3.430 20 30 FGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC000478004217 501850412 /nfs/dbraw/zinc/85/04/12/501850412.db2.gz QWOOREFAROLJBF-IRXDYDNUSA-N 1 1 361.873 3.430 20 30 FGEDMO N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000471003744 501888693 /nfs/dbraw/zinc/88/86/93/501888693.db2.gz AMEGCBOFZQDLJC-MOPGFXCFSA-N 1 1 363.889 3.065 20 30 FGEDMO C=CCC[C@H](NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000481807129 501889447 /nfs/dbraw/zinc/88/94/47/501889447.db2.gz OEEZKSKZLBCTLX-NSHGMRRFSA-N 1 1 371.525 3.047 20 30 FGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000485696291 501904714 /nfs/dbraw/zinc/90/47/14/501904714.db2.gz UKCUSEIAYYCAMZ-RHSMWYFYSA-N 1 1 350.422 3.190 20 30 FGEDMO C=C(C)Cn1c(C2CC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460789046 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C[N@H+](CCOc1ccccc1C(C)(C)C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000483319639 502350124 /nfs/dbraw/zinc/35/01/24/502350124.db2.gz KNHALZHTMKVQOT-OAQYLSRUSA-N 1 1 357.498 3.103 20 30 FGEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000483319639 502350127 /nfs/dbraw/zinc/35/01/27/502350127.db2.gz KNHALZHTMKVQOT-OAQYLSRUSA-N 1 1 357.498 3.103 20 30 FGEDMO CC(C)[C@H]1CN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000487369740 502427774 /nfs/dbraw/zinc/42/77/74/502427774.db2.gz UTNNAARLOZUSOC-QGZVFWFLSA-N 1 1 367.415 3.039 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000469475757 502431907 /nfs/dbraw/zinc/43/19/07/502431907.db2.gz DUDFXEUFLXEIFF-PWIZWCRZSA-N 1 1 358.482 3.327 20 30 FGEDMO C=CCCC1(C(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC000476273689 502438891 /nfs/dbraw/zinc/43/88/91/502438891.db2.gz QIGJUNQNAKVWTK-UHFFFAOYSA-N 1 1 369.509 3.078 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000483633111 502448670 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N#Cc1ccc(C2CC[NH+](Cc3ccncc3Br)CC2)nc1 ZINC000602904864 506344855 /nfs/dbraw/zinc/34/48/55/506344855.db2.gz ADPLBVPMPFNCPM-UHFFFAOYSA-N 1 1 357.255 3.490 20 30 FGEDMO CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497613077 502999726 /nfs/dbraw/zinc/99/97/26/502999726.db2.gz VTGDLYSOWUYFLK-GPMSIDNRSA-N 1 1 370.497 3.346 20 30 FGEDMO CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497613074 503000351 /nfs/dbraw/zinc/00/03/51/503000351.db2.gz VTGDLYSOWUYFLK-FRQCXROJSA-N 1 1 370.497 3.346 20 30 FGEDMO CC[N@@H+](CC(=O)NCc1ccccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620832 503002689 /nfs/dbraw/zinc/00/26/89/503002689.db2.gz PVVQTLPHYZNNHX-INIZCTEOSA-N 1 1 351.450 3.266 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489704534 503015315 /nfs/dbraw/zinc/01/53/15/503015315.db2.gz PQUOUPFYYXBKDL-WMLDXEAASA-N 1 1 374.909 3.358 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489704534 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FGEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1nc2cccc(C)c2[nH]1)C(C)C ZINC000497951458 503073762 /nfs/dbraw/zinc/07/37/62/503073762.db2.gz QJKKEHZLFRUFFX-GOSISDBHSA-N 1 1 369.513 3.369 20 30 FGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000490027691 503093685 /nfs/dbraw/zinc/09/36/85/503093685.db2.gz UPHXFOGHWZHTLZ-MRXNPFEDSA-N 1 1 359.539 3.402 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000506368442 503103224 /nfs/dbraw/zinc/10/32/24/503103224.db2.gz IGJGXOCJTUNXMK-IYBDPMFKSA-N 1 1 359.489 3.459 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000510409436 503108684 /nfs/dbraw/zinc/10/86/84/503108684.db2.gz YDSZQNPZCWVSBA-LJQANCHMSA-N 1 1 359.433 3.184 20 30 FGEDMO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000514540916 503135854 /nfs/dbraw/zinc/13/58/54/503135854.db2.gz BYQXKBFKGUJDDY-IBGZPJMESA-N 1 1 365.437 3.356 20 30 FGEDMO C[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000490340376 503157152 /nfs/dbraw/zinc/15/71/52/503157152.db2.gz MYISZDWNOCHJHZ-GDBMZVCRSA-N 1 1 355.413 3.358 20 30 FGEDMO C=CCc1ccc(OCC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000498353387 503165173 /nfs/dbraw/zinc/16/51/73/503165173.db2.gz LYPWMWVZZWYTGZ-IRXDYDNUSA-N 1 1 360.498 3.039 20 30 FGEDMO CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000490648636 503209716 /nfs/dbraw/zinc/20/97/16/503209716.db2.gz MSWRDMBMEYVNEY-UHFFFAOYSA-N 1 1 373.497 3.214 20 30 FGEDMO N#Cc1ccc(C2=CC[N@@H+](CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000502506302 503212631 /nfs/dbraw/zinc/21/26/31/503212631.db2.gz GVQXCAMXGGAMFS-UHFFFAOYSA-N 1 1 371.440 3.334 20 30 FGEDMO N#Cc1ccc(C2=CC[N@H+](CC(=O)N3CCc4sccc4C3)CC2)cc1 ZINC000502507377 503213593 /nfs/dbraw/zinc/21/35/93/503213593.db2.gz MTYNMTCOZOYVOJ-UHFFFAOYSA-N 1 1 363.486 3.294 20 30 FGEDMO N#Cc1ccc(C2=CC[N@@H+](CC(=O)N3CCc4sccc4C3)CC2)cc1 ZINC000502507377 503213595 /nfs/dbraw/zinc/21/35/95/503213595.db2.gz MTYNMTCOZOYVOJ-UHFFFAOYSA-N 1 1 363.486 3.294 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1C ZINC000498574289 503216992 /nfs/dbraw/zinc/21/69/92/503216992.db2.gz YDPRZMMCOCVKKR-JKSUJKDBSA-N 1 1 364.449 3.300 20 30 FGEDMO COc1ccc(F)c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000507053157 503220836 /nfs/dbraw/zinc/22/08/36/503220836.db2.gz NZMAMRGGEPJSEE-UHFFFAOYSA-N 1 1 353.441 3.414 20 30 FGEDMO COCc1ccccc1/C=C(\C)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000507085958 503227215 /nfs/dbraw/zinc/22/72/15/503227215.db2.gz MZNLLJVOQFFJSS-QGOAFFKASA-N 1 1 362.477 3.325 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000582674888 506359194 /nfs/dbraw/zinc/35/91/94/506359194.db2.gz RJPUHMIIEMJJKH-UXHICEINSA-N 1 1 352.478 3.348 20 30 FGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccsc1 ZINC000498849573 503275899 /nfs/dbraw/zinc/27/58/99/503275899.db2.gz KAVNHOUUXDZZTP-MRXNPFEDSA-N 1 1 369.556 3.134 20 30 FGEDMO C[C@@H]1CCSCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000502835472 503284278 /nfs/dbraw/zinc/28/42/78/503284278.db2.gz AMWXPIVEPCKTOC-CQSZACIVSA-N 1 1 370.440 3.001 20 30 FGEDMO CC(C)O[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000593055231 506362747 /nfs/dbraw/zinc/36/27/47/506362747.db2.gz IRTOPUYCXKZHQR-LPHOPBHVSA-N 1 1 361.461 3.350 20 30 FGEDMO CC(C)O[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000593055231 506362752 /nfs/dbraw/zinc/36/27/52/506362752.db2.gz IRTOPUYCXKZHQR-LPHOPBHVSA-N 1 1 361.461 3.350 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C ZINC000498922844 503294192 /nfs/dbraw/zinc/29/41/92/503294192.db2.gz FEUWHWSGGYJHRT-ULQDDVLXSA-N 1 1 374.554 3.434 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]1C ZINC000498931166 503297051 /nfs/dbraw/zinc/29/70/51/503297051.db2.gz YGOPMJWMWKLJES-ZACQAIPSSA-N 1 1 374.554 3.291 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000491393400 503303265 /nfs/dbraw/zinc/30/32/65/503303265.db2.gz DCPPLYMJQFVUJL-UHFFFAOYSA-N 1 1 370.478 3.255 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000491393400 503303266 /nfs/dbraw/zinc/30/32/66/503303266.db2.gz DCPPLYMJQFVUJL-UHFFFAOYSA-N 1 1 370.478 3.255 20 30 FGEDMO N#Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1F ZINC000491539515 503317392 /nfs/dbraw/zinc/31/73/92/503317392.db2.gz YFUCVDZPLYORNP-QGZVFWFLSA-N 1 1 366.440 3.383 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c(F)c1 ZINC000492261356 503361335 /nfs/dbraw/zinc/36/13/35/503361335.db2.gz VAXHXQWWBVUFDL-INIZCTEOSA-N 1 1 367.193 3.422 20 30 FGEDMO Cn1cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(-c2ccc(C#N)cc2)n1 ZINC000499253442 503366118 /nfs/dbraw/zinc/36/61/18/503366118.db2.gz HYYHNVCNDXKPEK-RTBURBONSA-N 1 1 352.482 3.188 20 30 FGEDMO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507825059 503375012 /nfs/dbraw/zinc/37/50/12/503375012.db2.gz RBJHJEYXRUICGT-LLGFUMIMSA-N 1 1 369.509 3.485 20 30 FGEDMO Cc1onc(CC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c1C#N ZINC000499781421 503480847 /nfs/dbraw/zinc/48/08/47/503480847.db2.gz NQKPUXNIBPUHSW-CQSZACIVSA-N 1 1 352.438 3.410 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](O)COc1ccc(C)cc1C ZINC000512197093 503483245 /nfs/dbraw/zinc/48/32/45/503483245.db2.gz RVNCZIVCUMZXHA-SFHVURJKSA-N 1 1 359.466 3.207 20 30 FGEDMO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCCOC1 ZINC000593070885 506374469 /nfs/dbraw/zinc/37/44/69/506374469.db2.gz XSJCYORPQHXNEM-KRWDZBQOSA-N 1 1 363.889 3.396 20 30 FGEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCCOC1 ZINC000593070885 506374475 /nfs/dbraw/zinc/37/44/75/506374475.db2.gz XSJCYORPQHXNEM-KRWDZBQOSA-N 1 1 363.889 3.396 20 30 FGEDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(F)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000494209006 503503745 /nfs/dbraw/zinc/50/37/45/503503745.db2.gz OWSDZTGJOUDJBW-MJGOQNOKSA-N 1 1 359.351 3.037 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(C#N)cc1F ZINC000512295629 503512300 /nfs/dbraw/zinc/51/23/00/503512300.db2.gz MQFXNZCDABZSDO-XOBRGWDASA-N 1 1 362.408 3.415 20 30 FGEDMO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[N@H+](CC)CC1 ZINC000516514618 503525424 /nfs/dbraw/zinc/52/54/24/503525424.db2.gz BMEBHFZKLKXCAW-UHFFFAOYSA-N 1 1 363.868 3.456 20 30 FGEDMO C=CCOc1c(Br)cc(C[NH2+]CC2(C#N)CC2)cc1OC ZINC000516615960 503550888 /nfs/dbraw/zinc/55/08/88/503550888.db2.gz OURPSGVFMIWNIS-UHFFFAOYSA-N 1 1 351.244 3.416 20 30 FGEDMO CCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCN1CCCC1 ZINC000512479396 503565825 /nfs/dbraw/zinc/56/58/25/503565825.db2.gz GLDQNKGDYOGOMW-UHFFFAOYSA-N 1 1 362.905 3.348 20 30 FGEDMO CCCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC[NH+]1CCCC1 ZINC000512479396 503565827 /nfs/dbraw/zinc/56/58/27/503565827.db2.gz GLDQNKGDYOGOMW-UHFFFAOYSA-N 1 1 362.905 3.348 20 30 FGEDMO Cc1cc(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000512479594 503566626 /nfs/dbraw/zinc/56/66/26/503566626.db2.gz HPNWCEABCPGYCV-XMMPIXPASA-N 1 1 374.532 3.259 20 30 FGEDMO N#Cc1ccc2ncc(C[NH2+]Cc3ccncc3OCc3ccccc3)n2c1 ZINC000512546182 503581224 /nfs/dbraw/zinc/58/12/24/503581224.db2.gz ASIFMSFZAPQBIO-UHFFFAOYSA-N 1 1 369.428 3.470 20 30 FGEDMO C=CCn1c([C@H](C)CC)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000508875104 503585373 /nfs/dbraw/zinc/58/53/73/503585373.db2.gz TWIXYYGWXXJRRK-QGZVFWFLSA-N 1 1 369.513 3.308 20 30 FGEDMO CC(C)(C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cc(F)cc(C#N)c1 ZINC000504536671 503585699 /nfs/dbraw/zinc/58/56/99/503585699.db2.gz RHJKVGOZDANWHG-UHFFFAOYSA-N 1 1 365.452 3.319 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494704846 503596564 /nfs/dbraw/zinc/59/65/64/503596564.db2.gz UIUIVNARBSPNNH-DDUYZKFLSA-N 1 1 361.530 3.197 20 30 FGEDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512658870 503605763 /nfs/dbraw/zinc/60/57/63/503605763.db2.gz AOCOFCBEWOBAAH-LBPRGKRZSA-N 1 1 366.845 3.475 20 30 FGEDMO C=C(CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000512660860 503606574 /nfs/dbraw/zinc/60/65/74/503606574.db2.gz PAPTYUYQPMHMTK-UHFFFAOYSA-N 1 1 374.488 3.489 20 30 FGEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000543172473 503657542 /nfs/dbraw/zinc/65/75/42/503657542.db2.gz LIUXCVSNIGSQIZ-HRAATJIYSA-N 1 1 363.461 3.266 20 30 FGEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000543172474 503658845 /nfs/dbraw/zinc/65/88/45/503658845.db2.gz LIUXCVSNIGSQIZ-IERDGZPVSA-N 1 1 363.461 3.266 20 30 FGEDMO CCOc1ccc(NC(=O)C[NH+]2CCC(CCC#N)CC2)cc1OCC ZINC000517232732 503686873 /nfs/dbraw/zinc/68/68/73/503686873.db2.gz HWSBMMPLTDFICU-UHFFFAOYSA-N 1 1 359.470 3.438 20 30 FGEDMO COCC[N@@H+](C)CC[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000532986857 503688708 /nfs/dbraw/zinc/68/87/08/503688708.db2.gz DVIAOOPTXWRZIJ-NRFANRHFSA-N 1 1 355.457 3.497 20 30 FGEDMO CCC(CC)n1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000533008405 503695614 /nfs/dbraw/zinc/69/56/14/503695614.db2.gz UNYODWRXARGWKH-UHFFFAOYSA-N 1 1 351.498 3.434 20 30 FGEDMO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000533028493 503706378 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C[C@@H](c1ccc(C#N)cc1)N1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC(O)C1 ZINC000539882043 504727559 /nfs/dbraw/zinc/72/75/59/504727559.db2.gz HWUOLCKMQABZRL-ROUUACIJSA-N 1 1 374.488 3.231 20 30 FGEDMO N#CCc1ccc(C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC000543138646 504739311 /nfs/dbraw/zinc/73/93/11/504739311.db2.gz GWQCGVDYHIGNIU-UHFFFAOYSA-N 1 1 373.416 3.195 20 30 FGEDMO Cc1nc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1C#N ZINC000532794264 504760561 /nfs/dbraw/zinc/76/05/61/504760561.db2.gz RUBZYLNAACHQKW-VQIMIIECSA-N 1 1 362.477 3.292 20 30 FGEDMO C=CCOCC[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000559071679 504774334 /nfs/dbraw/zinc/77/43/34/504774334.db2.gz YMZSJEYQDOMXME-UHFFFAOYSA-N 1 1 360.479 3.122 20 30 FGEDMO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000549271013 504778757 /nfs/dbraw/zinc/77/87/57/504778757.db2.gz ZCRPZZSDKOXFJH-UHFFFAOYSA-N 1 1 367.497 3.026 20 30 FGEDMO Cc1ccc2c(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc(O)c2n1 ZINC000562379128 504800064 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FGEDMO N#Cc1c(N2CC[NH+](Cc3cccc(F)c3)CC2)nc2cc(Cl)ccn12 ZINC000553466300 504922520 /nfs/dbraw/zinc/92/25/20/504922520.db2.gz XKSXYCNRFNXLAQ-UHFFFAOYSA-N 1 1 369.831 3.321 20 30 FGEDMO N#Cc1ccccc1-c1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000565710339 504965722 /nfs/dbraw/zinc/96/57/22/504965722.db2.gz GXGWUYONXWXURK-XPWALMASSA-N 1 1 361.489 3.472 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000550097257 504966239 /nfs/dbraw/zinc/96/62/39/504966239.db2.gz RMYYQMJJDPWQFN-GOSISDBHSA-N 1 1 368.477 3.312 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)N2CCC(CCC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000566153369 505099258 /nfs/dbraw/zinc/09/92/58/505099258.db2.gz NZNWITJSTNCNBB-PXNSSMCTSA-N 1 1 354.498 3.375 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000566159896 505101284 /nfs/dbraw/zinc/10/12/84/505101284.db2.gz SHLJKLKFFXJXNW-UHFFFAOYSA-N 1 1 356.514 3.406 20 30 FGEDMO C=CCC[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC)c1ccccc1 ZINC000554233897 505122324 /nfs/dbraw/zinc/12/23/24/505122324.db2.gz UZAGJNZJYRHTEA-VQTJNVASSA-N 1 1 371.525 3.191 20 30 FGEDMO COc1cc(OC)c2ncc(C#N)c(N[C@H]3CC[N@H+]4CCCC[C@H]34)c2c1 ZINC000557493988 505149627 /nfs/dbraw/zinc/14/96/27/505149627.db2.gz VHXCXOCZPDZRHL-DLBZAZTESA-N 1 1 352.438 3.162 20 30 FGEDMO CCN(C(=O)Cc1c(F)cccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000560639132 505151712 /nfs/dbraw/zinc/15/17/12/505151712.db2.gz ASDLXTPGXRYUIG-LJQANCHMSA-N 1 1 365.452 3.363 20 30 FGEDMO C=CCn1c(SCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1-c1ccoc1C ZINC000566495232 505190106 /nfs/dbraw/zinc/19/01/06/505190106.db2.gz FDRMWWNTZCQYRY-OKILXGFUSA-N 1 1 362.499 3.234 20 30 FGEDMO C=CCn1c(SCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1-c1ccoc1C ZINC000566495232 505190110 /nfs/dbraw/zinc/19/01/10/505190110.db2.gz FDRMWWNTZCQYRY-OKILXGFUSA-N 1 1 362.499 3.234 20 30 FGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000557646428 505192569 /nfs/dbraw/zinc/19/25/69/505192569.db2.gz OYXMCWLTQLZYTH-HNNXBMFYSA-N 1 1 372.490 3.228 20 30 FGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000557646428 505192573 /nfs/dbraw/zinc/19/25/73/505192573.db2.gz OYXMCWLTQLZYTH-HNNXBMFYSA-N 1 1 372.490 3.228 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000551344904 505205277 /nfs/dbraw/zinc/20/52/77/505205277.db2.gz ZCGMLZBHWGTZJP-PXNSSMCTSA-N 1 1 362.477 3.387 20 30 FGEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000560979220 505221363 /nfs/dbraw/zinc/22/13/63/505221363.db2.gz XSFTVBJURNDYLQ-UHFFFAOYSA-N 1 1 372.465 3.289 20 30 FGEDMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(-c3ccc(C#N)cc3)cc2)C[C@@H](C)O1 ZINC000566730871 505258175 /nfs/dbraw/zinc/25/81/75/505258175.db2.gz VHZNVHINPRKNGQ-CBGDNZLLSA-N 1 1 366.461 3.074 20 30 FGEDMO N#Cc1cccc(CCNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000557963580 505273193 /nfs/dbraw/zinc/27/31/93/505273193.db2.gz VZFDTDPVJCEUNR-NRFANRHFSA-N 1 1 362.477 3.065 20 30 FGEDMO CCOC(=O)CC(C)(C)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000566990993 505332009 /nfs/dbraw/zinc/33/20/09/505332009.db2.gz KXLKHEZHTIZSGF-UHFFFAOYSA-N 1 1 357.498 3.440 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1N(C)C ZINC000564152027 505339306 /nfs/dbraw/zinc/33/93/06/505339306.db2.gz KLHRBWYALYYANL-FQEVSTJZSA-N 1 1 354.494 3.353 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1Cl ZINC000551983750 505362087 /nfs/dbraw/zinc/36/20/87/505362087.db2.gz VEFVGSPRZITGJQ-KRWDZBQOSA-N 1 1 357.845 3.491 20 30 FGEDMO N#Cc1cccc(CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000555209570 505380570 /nfs/dbraw/zinc/38/05/70/505380570.db2.gz XQGNCRRVZHQCSL-FGZHOGPDSA-N 1 1 359.473 3.081 20 30 FGEDMO C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000555273463 505396316 /nfs/dbraw/zinc/39/63/16/505396316.db2.gz ZTLZDFRPDQZCAK-HKUYNNGSSA-N 1 1 355.530 3.260 20 30 FGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000552178991 505421488 /nfs/dbraw/zinc/42/14/88/505421488.db2.gz UHJVDSAZAXPPRX-VDGAXYAQSA-N 1 1 355.482 3.069 20 30 FGEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000561762047 505430082 /nfs/dbraw/zinc/43/00/82/505430082.db2.gz JHDJVPWQYKICFU-WAOWUJCRSA-N 1 1 369.509 3.296 20 30 FGEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(Oc3ccnc(C#N)c3)cc1)C2 ZINC000564550337 505450713 /nfs/dbraw/zinc/45/07/13/505450713.db2.gz MOWKUVLOWUYSJC-HNNXBMFYSA-N 1 1 373.416 3.452 20 30 FGEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000555773573 505512106 /nfs/dbraw/zinc/51/21/06/505512106.db2.gz UBUMZIQCEFXZSA-OAHLLOKOSA-N 1 1 351.288 3.148 20 30 FGEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000555773573 505512107 /nfs/dbraw/zinc/51/21/07/505512107.db2.gz UBUMZIQCEFXZSA-OAHLLOKOSA-N 1 1 351.288 3.148 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2nccc(C#N)c2Cl)CC1 ZINC000555925258 505540046 /nfs/dbraw/zinc/54/00/46/505540046.db2.gz LRTVQQQHESNZCK-KRWDZBQOSA-N 1 1 355.873 3.493 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919890 505558089 /nfs/dbraw/zinc/55/80/89/505558089.db2.gz BHKAHKWZIDPWLV-CJNGLKHVSA-N 1 1 354.841 3.423 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000564919890 505558091 /nfs/dbraw/zinc/55/80/91/505558091.db2.gz BHKAHKWZIDPWLV-CJNGLKHVSA-N 1 1 354.841 3.423 20 30 FGEDMO C[NH+]1CCC(C#N)(NC(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 ZINC000593112908 506400276 /nfs/dbraw/zinc/40/02/76/506400276.db2.gz UWDHISCWRPJUQO-UHFFFAOYSA-N 1 1 360.870 3.181 20 30 FGEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599300225 506402331 /nfs/dbraw/zinc/40/23/31/506402331.db2.gz NXDFVYHOVKBTIN-INIZCTEOSA-N 1 1 367.415 3.490 20 30 FGEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)s1 ZINC000599299228 506403069 /nfs/dbraw/zinc/40/30/69/506403069.db2.gz IGYSIGUSFPKNCR-LSDHHAIUSA-N 1 1 351.516 3.078 20 30 FGEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599303424 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20 30 FGEDMO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000599516846 506483550 /nfs/dbraw/zinc/48/35/50/506483550.db2.gz XUYPOWSWPLZTMF-GOSISDBHSA-N 1 1 369.415 3.332 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000599516846 506483556 /nfs/dbraw/zinc/48/35/56/506483556.db2.gz XUYPOWSWPLZTMF-GOSISDBHSA-N 1 1 369.415 3.332 20 30 FGEDMO COCCOCc1cc(C#N)ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000603317030 506483880 /nfs/dbraw/zinc/48/38/80/506483880.db2.gz FQBVWMJTCPJJRY-GCJKJVERSA-N 1 1 369.509 3.174 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCC[C@@](C)(C#N)C3)cc2)C[C@@H](C)O1 ZINC000612237041 506492170 /nfs/dbraw/zinc/49/21/70/506492170.db2.gz LIVWDGBKVCZLED-LZJOCLMNSA-N 1 1 355.482 3.062 20 30 FGEDMO CNc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000599610478 506528418 /nfs/dbraw/zinc/52/84/18/506528418.db2.gz QWYPXSCSUNAWJF-UHFFFAOYSA-N 1 1 363.465 3.340 20 30 FGEDMO CC1CC(C#N)(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 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359.495 3.006 20 30 FGEDMO N#Cc1ccc(CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C2CC2)cc1 ZINC000602372972 507686564 /nfs/dbraw/zinc/68/65/64/507686564.db2.gz BQFNRECLNWZIDP-FQEVSTJZSA-N 1 1 352.482 3.249 20 30 FGEDMO Cc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc(C)c1OCc1ccccn1 ZINC000592523290 507693671 /nfs/dbraw/zinc/69/36/71/507693671.db2.gz XZNLPIWSKUTBBN-OAQYLSRUSA-N 1 1 351.450 3.128 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@](C)(C#N)C3)sc2C1 ZINC000595840483 507709816 /nfs/dbraw/zinc/70/98/16/507709816.db2.gz OKSURNJFIIHBJU-DJJJIMSYSA-N 1 1 356.495 3.309 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@](C)(C#N)C3)sc2C1 ZINC000595840483 507709825 /nfs/dbraw/zinc/70/98/25/507709825.db2.gz OKSURNJFIIHBJU-DJJJIMSYSA-N 1 1 356.495 3.309 20 30 FGEDMO COCCc1ncc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000602450573 507714859 /nfs/dbraw/zinc/71/48/59/507714859.db2.gz BGVRSCFYQFXKKZ-UHFFFAOYSA-N 1 1 357.479 3.247 20 30 FGEDMO CCC[N@@H+](C)CC(C)(C)NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000595871988 507720076 /nfs/dbraw/zinc/72/00/76/507720076.db2.gz AQZDKZNQEHOYIH-UHFFFAOYSA-N 1 1 364.921 3.297 20 30 FGEDMO N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000595896145 507731706 /nfs/dbraw/zinc/73/17/06/507731706.db2.gz HAVXCSMWPCRNSU-CGTJXYLNSA-N 1 1 367.415 3.438 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000595918603 507744002 /nfs/dbraw/zinc/74/40/02/507744002.db2.gz JHIZEJAPXNLPHB-AWEZNQCLSA-N 1 1 359.426 3.320 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000595918603 507744008 /nfs/dbraw/zinc/74/40/08/507744008.db2.gz JHIZEJAPXNLPHB-AWEZNQCLSA-N 1 1 359.426 3.320 20 30 FGEDMO COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)s1 ZINC000595921103 507746891 /nfs/dbraw/zinc/74/68/91/507746891.db2.gz TVHUMOXISWFCKG-INIZCTEOSA-N 1 1 355.463 3.489 20 30 FGEDMO CO[C@H]1C[C@@H](CN(C)c2c(C#N)cnc3c(Cl)cc(C)cc32)[N@@H+](C)C1 ZINC000588057190 507747844 /nfs/dbraw/zinc/74/78/44/507747844.db2.gz WOZKDSZKSLZHRT-GJZGRUSLSA-N 1 1 358.873 3.224 20 30 FGEDMO CC[C@H](C#N)Oc1cccc(CNc2[nH+]c(C)cc(C)c2-c2nn[nH]n2)c1 ZINC000736308825 598871510 /nfs/dbraw/zinc/87/15/10/598871510.db2.gz IMELOGCXJZMCJB-OAHLLOKOSA-N 1 1 363.425 3.172 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257486 601317344 /nfs/dbraw/zinc/31/73/44/601317344.db2.gz DGJOBAIOXJNXEG-IMFGXOCKSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257486 601317347 /nfs/dbraw/zinc/31/73/47/601317347.db2.gz DGJOBAIOXJNXEG-IMFGXOCKSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257486 601317350 /nfs/dbraw/zinc/31/73/50/601317350.db2.gz DGJOBAIOXJNXEG-IMFGXOCKSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828257486 601317353 /nfs/dbraw/zinc/31/73/53/601317353.db2.gz DGJOBAIOXJNXEG-IMFGXOCKSA-N 1 1 355.482 3.270 20 30 FGEDMO C[C@H](CC[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000827412927 601348337 /nfs/dbraw/zinc/34/83/37/601348337.db2.gz VCOSWXAXXOEXSV-UZLBHIALSA-N 1 1 351.450 3.184 20 30 FGEDMO C[C@H](CC[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000827412927 601348340 /nfs/dbraw/zinc/34/83/40/601348340.db2.gz VCOSWXAXXOEXSV-UZLBHIALSA-N 1 1 351.450 3.184 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000822801384 606452223 /nfs/dbraw/zinc/45/22/23/606452223.db2.gz IICKGLIRQGOVFI-UXHICEINSA-N 1 1 374.448 3.017 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1cccc(-c2nn[nH]n2)c1 ZINC000822801384 606452226 /nfs/dbraw/zinc/45/22/26/606452226.db2.gz IICKGLIRQGOVFI-UXHICEINSA-N 1 1 374.448 3.017 20 30 FGEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000823931878 609334071 /nfs/dbraw/zinc/33/40/71/609334071.db2.gz IRMGYFKEKDRAQW-CYBMUJFWSA-N 1 1 353.401 3.421 20 30 FGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(Br)ccc2O)c1 ZINC000092142683 700432133 /nfs/dbraw/zinc/43/21/33/700432133.db2.gz WUIAKIRSYRCUPZ-UHFFFAOYSA-N 1 1 373.250 3.207 20 30 FGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(Br)ccc2O)c1 ZINC000092142683 700432136 /nfs/dbraw/zinc/43/21/36/700432136.db2.gz WUIAKIRSYRCUPZ-UHFFFAOYSA-N 1 1 373.250 3.207 20 30 FGEDMO C=CCOc1ccc(C[N@H+](CCC(=O)OC)C2CCOCC2)cc1Cl ZINC000093734587 700453654 /nfs/dbraw/zinc/45/36/54/700453654.db2.gz DFAYTHVXWNKJGO-UHFFFAOYSA-N 1 1 367.873 3.449 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H]3CCCC[C@@H]31)CCC2 ZINC000103470048 700486108 /nfs/dbraw/zinc/48/61/08/700486108.db2.gz SOFGAYRZKQNDEH-HOTGVXAUSA-N 1 1 359.495 3.080 20 30 FGEDMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)ON=C(N)C[N@H+]1CCCC[C@@H]1C ZINC000113250144 700569732 /nfs/dbraw/zinc/56/97/32/700569732.db2.gz LBKZDOLILHHSRT-GXTWGEPZSA-N 1 1 366.893 3.139 20 30 FGEDMO CC(C)[N@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000137151653 704868090 /nfs/dbraw/zinc/86/80/90/704868090.db2.gz PAKGSYAGVQMPJT-UHFFFAOYSA-N 1 1 356.491 3.480 20 30 FGEDMO CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000137151653 704868094 /nfs/dbraw/zinc/86/80/94/704868094.db2.gz PAKGSYAGVQMPJT-UHFFFAOYSA-N 1 1 356.491 3.480 20 30 FGEDMO C=C(Br)CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000175390867 705545521 /nfs/dbraw/zinc/54/55/21/705545521.db2.gz BGCNQJHLVSSHSX-CQSZACIVSA-N 1 1 354.292 3.105 20 30 FGEDMO C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)NCc1nc(C(C)C)cs1 ZINC000261980674 713716779 /nfs/dbraw/zinc/71/67/79/713716779.db2.gz OUTPGRQSGTWUOO-UHFFFAOYSA-N 1 1 356.499 3.316 20 30 FGEDMO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000295967556 713776948 /nfs/dbraw/zinc/77/69/48/713776948.db2.gz NNLARENPFACEBG-UHFFFAOYSA-N 1 1 360.893 3.100 20 30 FGEDMO CC(C)CCNC(=[NH2+])NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305707899 713793399 /nfs/dbraw/zinc/79/33/99/713793399.db2.gz WNAMLIBEFFJXQI-YOEHRIQHSA-N 1 1 354.901 3.422 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000374856976 713948594 /nfs/dbraw/zinc/94/85/94/713948594.db2.gz QKWULVZWQKGSJL-OAHLLOKOSA-N 1 1 354.475 3.124 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000374856976 713948595 /nfs/dbraw/zinc/94/85/95/713948595.db2.gz QKWULVZWQKGSJL-OAHLLOKOSA-N 1 1 354.475 3.124 20 30 FGEDMO C=CCCCN(C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000522999872 714215843 /nfs/dbraw/zinc/21/58/43/714215843.db2.gz WZLNUABPJUDNBP-UHFFFAOYSA-N 1 1 351.535 3.408 20 30 FGEDMO CO[C@H](C)C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000524619861 714291980 /nfs/dbraw/zinc/29/19/80/714291980.db2.gz MBOFBPSRGBRZDG-OAHLLOKOSA-N 1 1 351.878 3.332 20 30 FGEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CC1(O)CCC1 ZINC000625120376 715664201 /nfs/dbraw/zinc/66/42/01/715664201.db2.gz RCDNGHRVICLWTK-HNNXBMFYSA-N 1 1 372.278 3.242 20 30 FGEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CC1(O)CCC1 ZINC000625120376 715664205 /nfs/dbraw/zinc/66/42/05/715664205.db2.gz RCDNGHRVICLWTK-HNNXBMFYSA-N 1 1 372.278 3.242 20 30 FGEDMO CC(=NNC(=S)Nc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779785198 724426857 /nfs/dbraw/zinc/42/68/57/724426857.db2.gz UUWODFMDWGBGBC-KRWDZBQOSA-N 1 1 353.495 3.266 20 30 FGEDMO CCOc1c(Br)cc(C=NNc2cc[nH+]cc2)cc1OC ZINC000779808893 724428160 /nfs/dbraw/zinc/42/81/60/724428160.db2.gz BYDRBLDXGQCXBE-UHFFFAOYSA-N 1 1 350.216 3.119 20 30 FGEDMO C=CCOc1c(Cl)cc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1OC ZINC000628319032 716138521 /nfs/dbraw/zinc/13/85/21/716138521.db2.gz GWMJVLJHRYIXSS-DOTOQJQBSA-N 1 1 350.890 3.439 20 30 FGEDMO CC(C)[C@H](C=[NH+]n1cc(Br)cn1)CNC(=O)OC(C)(C)C ZINC000794524142 723529151 /nfs/dbraw/zinc/52/91/51/723529151.db2.gz ORCHDFUUUNGFEP-NSHDSACASA-N 1 1 359.268 3.276 20 30 FGEDMO COCC[N@H+]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C(C)(C)C1 ZINC000649849617 718577465 /nfs/dbraw/zinc/57/74/65/718577465.db2.gz COSYBTDUDSKRBU-UHFFFAOYSA-N 1 1 354.416 3.100 20 30 FGEDMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164440709 718988199 /nfs/dbraw/zinc/98/81/99/718988199.db2.gz QXEXIQMWPQEMEW-UHFFFAOYSA-N 1 1 358.179 3.330 20 30 FGEDMO N#Cc1nc(Cl)cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164629814 719064214 /nfs/dbraw/zinc/06/42/14/719064214.db2.gz ZGUXFIRWKOGTRH-NVXWUHKLSA-N 1 1 353.857 3.102 20 30 FGEDMO N#Cc1c(F)ccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698175 719894207 /nfs/dbraw/zinc/89/42/07/719894207.db2.gz PHAXCDSONKLHAJ-UHFFFAOYSA-N 1 1 372.469 3.025 20 30 FGEDMO C=CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)[C@H](C)COC ZINC000661249031 720215267 /nfs/dbraw/zinc/21/52/67/720215267.db2.gz XZWAMPPXLZPDCE-UZLBHIALSA-N 1 1 358.507 3.477 20 30 FGEDMO C=CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)[C@H](C)COC ZINC000661249031 720215274 /nfs/dbraw/zinc/21/52/74/720215274.db2.gz XZWAMPPXLZPDCE-UZLBHIALSA-N 1 1 358.507 3.477 20 30 FGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000661379753 720237927 /nfs/dbraw/zinc/23/79/27/720237927.db2.gz IEOGNHLXXHNWHN-ZDUSSCGKSA-N 1 1 362.271 3.245 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(Cl)c(C#N)n1)[C@@H]2C ZINC001164863265 720930724 /nfs/dbraw/zinc/93/07/24/720930724.db2.gz XXCLMSRPVYGZGB-CYBMUJFWSA-N 1 1 358.877 3.225 20 30 FGEDMO C=CCOCCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000666522034 720942494 /nfs/dbraw/zinc/94/24/94/720942494.db2.gz VCCSXDCGUZNKIB-GOSISDBHSA-N 1 1 351.535 3.265 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1Cl ZINC000668688895 721332042 /nfs/dbraw/zinc/33/20/42/721332042.db2.gz SOSCBWBTLPSFJU-HNNXBMFYSA-N 1 1 351.878 3.093 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1Cl ZINC000668688895 721332045 /nfs/dbraw/zinc/33/20/45/721332045.db2.gz SOSCBWBTLPSFJU-HNNXBMFYSA-N 1 1 351.878 3.093 20 30 FGEDMO C=CCS(=O)(=O)CC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000783531159 724761836 /nfs/dbraw/zinc/76/18/36/724761836.db2.gz HIAIKWUSIQJVJG-UHFFFAOYSA-N 1 1 351.418 3.245 20 30 FGEDMO N#Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164901780 721514214 /nfs/dbraw/zinc/51/42/14/721514214.db2.gz YPHJEVDXTRSUMR-WBVHZDCISA-N 1 1 372.831 3.088 20 30 FGEDMO N#Cc1cc(Cl)cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911550 721527882 /nfs/dbraw/zinc/52/78/82/721527882.db2.gz XDDLLDHYXMPQSG-SJLPKXTDSA-N 1 1 372.831 3.088 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000679828312 722049075 /nfs/dbraw/zinc/04/90/75/722049075.db2.gz XOVXKFXFIWFWEX-QGZVFWFLSA-N 1 1 360.454 3.366 20 30 FGEDMO C#Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc1 ZINC000728861046 722454817 /nfs/dbraw/zinc/45/48/17/722454817.db2.gz ZYACUYQSCYKWNY-IBGZPJMESA-N 1 1 353.853 3.283 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCc1ccccc1OC(F)(F)F ZINC000729812651 722462757 /nfs/dbraw/zinc/46/27/57/722462757.db2.gz ZHWBVQOJJPSNBV-OAHLLOKOSA-N 1 1 355.356 3.159 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000729811994 722462807 /nfs/dbraw/zinc/46/28/07/722462807.db2.gz IRDPXYQWPDYTBC-LBPRGKRZSA-N 1 1 362.401 3.343 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1csc(-c2c(F)cccc2F)n1 ZINC000729811994 722462808 /nfs/dbraw/zinc/46/28/08/722462808.db2.gz IRDPXYQWPDYTBC-LBPRGKRZSA-N 1 1 362.401 3.343 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000730271178 722466671 /nfs/dbraw/zinc/46/66/71/722466671.db2.gz NHIGLCBUNLZCQS-RDJZCZTQSA-N 1 1 353.491 3.100 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000730271178 722466672 /nfs/dbraw/zinc/46/66/72/722466672.db2.gz NHIGLCBUNLZCQS-RDJZCZTQSA-N 1 1 353.491 3.100 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000730281337 722466738 /nfs/dbraw/zinc/46/67/38/722466738.db2.gz IZSPBWLDFQRGAW-INIZCTEOSA-N 1 1 353.293 3.485 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000730281337 722466739 /nfs/dbraw/zinc/46/67/39/722466739.db2.gz IZSPBWLDFQRGAW-INIZCTEOSA-N 1 1 353.293 3.485 20 30 FGEDMO C#Cc1cccc(NC(=S)N[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)c1 ZINC000734386640 722506957 /nfs/dbraw/zinc/50/69/57/722506957.db2.gz JVSFFPDOWJWBJV-QFBILLFUSA-N 1 1 359.539 3.091 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000735306749 722514775 /nfs/dbraw/zinc/51/47/75/722514775.db2.gz SLDFGGGKJZDHOD-UHFFFAOYSA-N 1 1 361.873 3.077 20 30 FGEDMO COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735311643 722514996 /nfs/dbraw/zinc/51/49/96/722514996.db2.gz TXADXBHVZPDYRD-GOSISDBHSA-N 1 1 360.841 3.416 20 30 FGEDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735311643 722514997 /nfs/dbraw/zinc/51/49/97/722514997.db2.gz TXADXBHVZPDYRD-GOSISDBHSA-N 1 1 360.841 3.416 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000744346260 722576062 /nfs/dbraw/zinc/57/60/62/722576062.db2.gz XHISANBDTANXAN-CYBMUJFWSA-N 1 1 356.388 3.484 20 30 FGEDMO N#CCSc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000746209043 722594978 /nfs/dbraw/zinc/59/49/78/722594978.db2.gz UCWKAOJFUSOCSD-CRAIPNDOSA-N 1 1 355.507 3.391 20 30 FGEDMO C[NH+]1CCN(N=C(CCSc2ccccn2)c2ccc(F)cc2)CC1 ZINC000746676852 722614254 /nfs/dbraw/zinc/61/42/54/722614254.db2.gz KVLIKQFTGXKIPA-UHFFFAOYSA-N 1 1 358.486 3.355 20 30 FGEDMO COc1ccc([C@@H]2[C@H](COC(=O)c3ccc(C#N)s3)CC[N@H+]2C)cc1 ZINC000750712171 722778531 /nfs/dbraw/zinc/77/85/31/722778531.db2.gz FRNKUGVVKDFULU-KBXCAEBGSA-N 1 1 356.447 3.478 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000751902257 722833893 /nfs/dbraw/zinc/83/38/93/722833893.db2.gz QNRPNDFZEMYXGE-GUDVDZBRSA-N 1 1 356.539 3.117 20 30 FGEDMO N#Cc1ccccc1-c1ccccc1C(=O)OCC[NH+]1CCSCC1 ZINC000757946440 722981749 /nfs/dbraw/zinc/98/17/49/722981749.db2.gz ZMIYFBUEPQQXMJ-UHFFFAOYSA-N 1 1 352.459 3.431 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767137198 723608371 /nfs/dbraw/zinc/60/83/71/723608371.db2.gz XSNQXCCGSUYHHH-WBVHZDCISA-N 1 1 350.384 3.119 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767137198 723608372 /nfs/dbraw/zinc/60/83/72/723608372.db2.gz XSNQXCCGSUYHHH-WBVHZDCISA-N 1 1 350.384 3.119 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)c2cccc3cccc(Br)c32)CC1 ZINC000795917301 723613953 /nfs/dbraw/zinc/61/39/53/723613953.db2.gz NGIXFZFACUIVIW-UHFFFAOYSA-N 1 1 371.278 3.383 20 30 FGEDMO C[C@@H]1CC(=NNC(=S)Nc2cccnc2)C[N@@H+](Cc2ccccc2)C1 ZINC000767367970 723616344 /nfs/dbraw/zinc/61/63/44/723616344.db2.gz WPHSVIFGPCXZEL-OAHLLOKOSA-N 1 1 353.495 3.266 20 30 FGEDMO C[C@@H]1CC(=NNC(=S)Nc2cccnc2)C[N@H+](Cc2ccccc2)C1 ZINC000767367970 723616345 /nfs/dbraw/zinc/61/63/45/723616345.db2.gz WPHSVIFGPCXZEL-OAHLLOKOSA-N 1 1 353.495 3.266 20 30 FGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767885281 723638148 /nfs/dbraw/zinc/63/81/48/723638148.db2.gz RFWMQGJBBAOCOK-DZGCQCFKSA-N 1 1 353.388 3.255 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767886489 723638179 /nfs/dbraw/zinc/63/81/79/723638179.db2.gz YFFNOZAMBGDHHJ-OAHLLOKOSA-N 1 1 353.388 3.257 20 30 FGEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H](CC(N)=O)c1ccccc1 ZINC000796529090 723641674 /nfs/dbraw/zinc/64/16/74/723641674.db2.gz AELJDPWYCUZTRS-QGZVFWFLSA-N 1 1 357.841 3.291 20 30 FGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000796612643 723646539 /nfs/dbraw/zinc/64/65/39/723646539.db2.gz IJDKORQCCOJWAN-ZWKOTPCHSA-N 1 1 351.535 3.358 20 30 FGEDMO C=CCCCCC[N@@H+]1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000796619628 723646868 /nfs/dbraw/zinc/64/68/68/723646868.db2.gz KEQOOHYDCAZMAK-SFHVURJKSA-N 1 1 351.535 3.360 20 30 FGEDMO C[N@H+](CC(=O)OCC#Cc1ccc(Cl)cc1Cl)[C@H]1CCSC1 ZINC000774371655 723886153 /nfs/dbraw/zinc/88/61/53/723886153.db2.gz UZQLKMCZWQMQDR-AWEZNQCLSA-N 1 1 358.290 3.325 20 30 FGEDMO C[N@@H+](CC(=O)OCC#Cc1ccc(Cl)cc1Cl)[C@H]1CCSC1 ZINC000774371655 723886155 /nfs/dbraw/zinc/88/61/55/723886155.db2.gz UZQLKMCZWQMQDR-AWEZNQCLSA-N 1 1 358.290 3.325 20 30 FGEDMO C#CC[N@@H+](C[C@@H](C)Cc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000775658592 724017537 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351.853 3.279 20 30 FGEDMO C#C[C@@H](NC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1)c1ccc(Cl)cc1F ZINC000820755924 729026748 /nfs/dbraw/zinc/02/67/48/729026748.db2.gz UHHGRHICKZOGJU-WMLDXEAASA-N 1 1 351.853 3.279 20 30 FGEDMO C=CCC[C@@H](O)C[N@@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642631 729295207 /nfs/dbraw/zinc/29/52/07/729295207.db2.gz HTKGGWSSYRTTOQ-DLBZAZTESA-N 1 1 352.519 3.425 20 30 FGEDMO COC(=O)C1(C#N)CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000828970155 729450534 /nfs/dbraw/zinc/45/05/34/729450534.db2.gz RQRMBJHBLHCIKZ-UHFFFAOYSA-N 1 1 374.238 3.280 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C2\Cc3c(ccc(F)c3Br)C2=O)n1C ZINC000840721756 730165893 /nfs/dbraw/zinc/16/58/93/730165893.db2.gz WXOSSMVEXUJMMS-RMKNXTFCSA-N 1 1 364.218 3.210 20 30 FGEDMO C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368486 730708690 /nfs/dbraw/zinc/70/86/90/730708690.db2.gz VPVJOAIMVRAMJD-QGZVFWFLSA-N 1 1 358.825 3.148 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1 ZINC000844374039 730709739 /nfs/dbraw/zinc/70/97/39/730709739.db2.gz VBSDFTICCHEMRG-WOJBJXKFSA-N 1 1 356.853 3.229 20 30 FGEDMO C=C[C@H](C)ONC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000845621984 730872044 /nfs/dbraw/zinc/87/20/44/730872044.db2.gz CRAMDLOXLRSNRR-AFAVFJNCSA-N 1 1 353.413 3.294 20 30 FGEDMO C=C[C@H](C)ONC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000845621984 730872046 /nfs/dbraw/zinc/87/20/46/730872046.db2.gz CRAMDLOXLRSNRR-AFAVFJNCSA-N 1 1 353.413 3.294 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C#Cc3cccs3)C2)s1 ZINC000846099900 730928821 /nfs/dbraw/zinc/92/88/21/730928821.db2.gz AIYRXFHSVBXNMO-MRXNPFEDSA-N 1 1 358.532 3.450 20 30 FGEDMO C[C@H](C/N=C/c1cc(Br)ccc1O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000846756436 730977289 /nfs/dbraw/zinc/97/72/89/730977289.db2.gz IUIHSUCTIGZDHW-RLNXRLPBSA-N 1 1 355.276 3.071 20 30 FGEDMO C[C@H](C/N=C/c1cc(Br)ccc1O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000846756436 730977287 /nfs/dbraw/zinc/97/72/87/730977287.db2.gz 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CC[N@H+]1CCc2nc(NC(=O)C(C)(C)c3ccc(C#N)cc3)sc2C1 ZINC000858181468 732189853 /nfs/dbraw/zinc/18/98/53/732189853.db2.gz OKWMRQVCITYQKG-UHFFFAOYSA-N 1 1 354.479 3.309 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000860054909 732442738 /nfs/dbraw/zinc/44/27/38/732442738.db2.gz WTIJFMCUNUXSLA-UONOGXRCSA-N 1 1 358.467 3.138 20 30 FGEDMO N#CCSCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000860425634 732512274 /nfs/dbraw/zinc/51/22/74/732512274.db2.gz MLNYWRJGPBJDOU-SFHVURJKSA-N 1 1 358.507 3.479 20 30 FGEDMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867953652 733537454 /nfs/dbraw/zinc/53/74/54/733537454.db2.gz CVBOZCQBYCGNFU-GOSISDBHSA-N 1 1 355.825 3.354 20 30 FGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cc(Br)c(C)nc2OC)no1 ZINC000872181412 735602132 /nfs/dbraw/zinc/60/21/32/735602132.db2.gz JZCSGKXKYIOHRM-SNVBAGLBSA-N 1 1 373.638 3.354 20 30 FGEDMO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877115034 736189118 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C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC000880217779 737138020 /nfs/dbraw/zinc/13/80/20/737138020.db2.gz BZYOPXWQMJLVOF-DNVCBOLYSA-N 1 1 351.491 3.027 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC000880217779 737138022 /nfs/dbraw/zinc/13/80/22/737138022.db2.gz BZYOPXWQMJLVOF-DNVCBOLYSA-N 1 1 351.491 3.027 20 30 FGEDMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@H+](CCCC#N)C(C)C ZINC000880219522 737138460 /nfs/dbraw/zinc/13/84/60/737138460.db2.gz LJDVWPHDQRLSRW-ZDUSSCGKSA-N 1 1 351.472 3.184 20 30 FGEDMO COC(=O)c1scc(C)c1NC(=O)[C@H](C)[N@@H+](CCCC#N)C(C)C ZINC000880219522 737138463 /nfs/dbraw/zinc/13/84/63/737138463.db2.gz LJDVWPHDQRLSRW-ZDUSSCGKSA-N 1 1 351.472 3.184 20 30 FGEDMO C#CCC1(O)CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000880479047 737179613 /nfs/dbraw/zinc/17/96/13/737179613.db2.gz KGPBIDINFRPCTF-UHFFFAOYSA-N 1 1 357.885 3.243 20 30 FGEDMO CC(C)[N@@H+](C)CC1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000881830168 737386961 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357.845 3.111 20 30 FGEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000961572326 762749430 /nfs/dbraw/zinc/74/94/30/762749430.db2.gz GVEUHXHWLNAKME-CYRTVHNOSA-N 1 1 357.306 3.304 20 30 FGEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000961572326 762749435 /nfs/dbraw/zinc/74/94/35/762749435.db2.gz GVEUHXHWLNAKME-CYRTVHNOSA-N 1 1 357.306 3.304 20 30 FGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC000969062344 762853313 /nfs/dbraw/zinc/85/33/13/762853313.db2.gz MNBWIIGPZYWJOU-SQNIBIBYSA-N 1 1 354.922 3.471 20 30 FGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC000969062344 762853322 /nfs/dbraw/zinc/85/33/22/762853322.db2.gz MNBWIIGPZYWJOU-SQNIBIBYSA-N 1 1 354.922 3.471 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2sccc2Cl)C1 ZINC000969692445 762861213 /nfs/dbraw/zinc/86/12/13/762861213.db2.gz NACYASHPKIFBKD-BJJXKVORSA-N 1 1 368.930 3.319 20 30 FGEDMO 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CCCc2ccsc2)CC1 ZINC000982174260 763574325 /nfs/dbraw/zinc/57/43/25/763574325.db2.gz YPIFRSAKCZFOSG-OALUTQOASA-N 1 1 362.539 3.196 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000997761528 765082726 /nfs/dbraw/zinc/08/27/26/765082726.db2.gz YMTFSTSTBSDSTM-CFVMTHIKSA-N 1 1 361.313 3.113 20 30 FGEDMO C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)CC1 ZINC001000207829 765203074 /nfs/dbraw/zinc/20/30/74/765203074.db2.gz DGKTVGYTSPFIAG-ZWKOTPCHSA-N 1 1 366.933 3.162 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)s1 ZINC001001255899 765277271 /nfs/dbraw/zinc/27/72/71/765277271.db2.gz FRBZFAATHZSRML-RBUKOAKNSA-N 1 1 355.507 3.304 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)s1 ZINC001001255899 765277277 /nfs/dbraw/zinc/27/72/77/765277277.db2.gz FRBZFAATHZSRML-RBUKOAKNSA-N 1 1 355.507 3.304 20 30 FGEDMO C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001023381715 766035564 /nfs/dbraw/zinc/03/55/64/766035564.db2.gz RIDGTQUUXQMWDN-LTIDMASMSA-N 1 1 367.331 3.326 20 30 FGEDMO C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001023381715 766035568 /nfs/dbraw/zinc/03/55/68/766035568.db2.gz RIDGTQUUXQMWDN-LTIDMASMSA-N 1 1 367.331 3.326 20 30 FGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001027607707 766101120 /nfs/dbraw/zinc/10/11/20/766101120.db2.gz CRFHLIDBVSLTPO-NZSAHSFTSA-N 1 1 362.901 3.474 20 30 FGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC)cc2)C1 ZINC001027607707 766101132 /nfs/dbraw/zinc/10/11/32/766101132.db2.gz CRFHLIDBVSLTPO-NZSAHSFTSA-N 1 1 362.901 3.474 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(C)c2)C1 ZINC001027613452 766102408 /nfs/dbraw/zinc/10/24/08/766102408.db2.gz XRJHBFRRBNMUOY-FHWLQOOXSA-N 1 1 362.539 3.461 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC001028142366 766112229 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/nfs/dbraw/zinc/91/74/97/493917497.db2.gz GGHGHMUMDMGZMM-OAHLLOKOSA-N 1 1 362.905 3.204 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccco1 ZINC000076544843 493918700 /nfs/dbraw/zinc/91/87/00/493918700.db2.gz OQVVOYRUBHZGNI-CYBMUJFWSA-N 1 1 364.352 3.177 20 30 FGEDMO C[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1 ZINC000031124437 493926561 /nfs/dbraw/zinc/92/65/61/493926561.db2.gz WNXSJKZDQYSPRD-HUUCEWRRSA-N 1 1 368.506 3.427 20 30 FGEDMO C[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000031124437 493926564 /nfs/dbraw/zinc/92/65/64/493926564.db2.gz WNXSJKZDQYSPRD-HUUCEWRRSA-N 1 1 368.506 3.427 20 30 FGEDMO N#CCOc1ccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000069163892 493931293 /nfs/dbraw/zinc/93/12/93/493931293.db2.gz MKIRROOVIJOGTK-NRFANRHFSA-N 1 1 363.461 3.432 20 30 FGEDMO CC[N@@H+](CC(=O)NCCOc1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469585 493936648 /nfs/dbraw/zinc/93/66/48/493936648.db2.gz JYQTXFFXTICIPN-MRXNPFEDSA-N 1 1 369.440 3.275 20 30 FGEDMO C=CCOc1ccc(C[NH2+]CCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000060833576 493955975 /nfs/dbraw/zinc/95/59/75/493955975.db2.gz CPRIKBWBTLMDKZ-UHFFFAOYSA-N 1 1 365.521 3.159 20 30 FGEDMO N#Cc1c(Cl)nsc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000051502350 493974016 /nfs/dbraw/zinc/97/40/16/493974016.db2.gz NDTKDTSVMJYWRT-UHFFFAOYSA-N 1 1 357.870 3.252 20 30 FGEDMO N#Cc1c(Cl)nsc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000051502350 493974023 /nfs/dbraw/zinc/97/40/23/493974023.db2.gz NDTKDTSVMJYWRT-UHFFFAOYSA-N 1 1 357.870 3.252 20 30 FGEDMO N#CCSCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032641339 494002934 /nfs/dbraw/zinc/00/29/34/494002934.db2.gz LHKXPEOYYGENGV-UHFFFAOYSA-N 1 1 365.502 3.177 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000083418736 494016396 /nfs/dbraw/zinc/01/63/96/494016396.db2.gz UGINWQDYTPIALR-OAHLLOKOSA-N 1 1 361.511 3.158 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000083418736 494016399 /nfs/dbraw/zinc/01/63/99/494016399.db2.gz UGINWQDYTPIALR-OAHLLOKOSA-N 1 1 361.511 3.158 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH+]2CCCCCC2)c1C#N ZINC000007424425 494021921 /nfs/dbraw/zinc/02/19/21/494021921.db2.gz HPPFGEANBGFNDY-UHFFFAOYSA-N 1 1 354.454 3.432 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(C(=O)N(C)C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287288 494039825 /nfs/dbraw/zinc/03/98/25/494039825.db2.gz RSJKJVPNWWRGPX-UHFFFAOYSA-N 1 1 353.422 3.485 20 30 FGEDMO C=CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287288 494039829 /nfs/dbraw/zinc/03/98/29/494039829.db2.gz RSJKJVPNWWRGPX-UHFFFAOYSA-N 1 1 353.422 3.485 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000077275858 494046643 /nfs/dbraw/zinc/04/66/43/494046643.db2.gz COXOBZFUNUWNKK-OAQYLSRUSA-N 1 1 352.434 3.191 20 30 FGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000063403326 494051596 /nfs/dbraw/zinc/05/15/96/494051596.db2.gz PESGCESJAWVTRX-UHFFFAOYSA-N 1 1 362.477 3.388 20 30 FGEDMO COC(=O)c1cccc(C#Cc2cccc(NC(=O)C[N@@H+](C)C(C)C)c2)c1 ZINC000063466121 494057276 /nfs/dbraw/zinc/05/72/76/494057276.db2.gz INTZQLVWNDYVIQ-UHFFFAOYSA-N 1 1 364.445 3.152 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)c(F)c1 ZINC000052726431 494058150 /nfs/dbraw/zinc/05/81/50/494058150.db2.gz QSSXHTBAAHCDLO-UHFFFAOYSA-N 1 1 355.388 3.231 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000577265581 505697385 /nfs/dbraw/zinc/69/73/85/505697385.db2.gz PDGDFODTGAAENB-KYNGSXCRSA-N 1 1 354.454 3.275 20 30 FGEDMO COC(=O)CC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000063513203 494062529 /nfs/dbraw/zinc/06/25/29/494062529.db2.gz FJIIUNXRNCBUAI-UHFFFAOYSA-N 1 1 371.462 3.014 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1ccc(C#N)cc1 ZINC000052825576 494065800 /nfs/dbraw/zinc/06/58/00/494065800.db2.gz XDJRVAGFCMSNNN-UHFFFAOYSA-N 1 1 365.433 3.196 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1ccc(C(=O)OC)cc1)Cc1ccc(C#N)cc1 ZINC000052825576 494065803 /nfs/dbraw/zinc/06/58/03/494065803.db2.gz XDJRVAGFCMSNNN-UHFFFAOYSA-N 1 1 365.433 3.196 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000063577024 494065941 /nfs/dbraw/zinc/06/59/41/494065941.db2.gz AUJJEBGMKGOWKL-HNNXBMFYSA-N 1 1 351.450 3.377 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CSCc2ccc(C#N)cc2)C1 ZINC000053404928 494127201 /nfs/dbraw/zinc/12/72/01/494127201.db2.gz VDJDDIFORHISGC-INIZCTEOSA-N 1 1 359.539 3.418 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000064638646 494140478 /nfs/dbraw/zinc/14/04/78/494140478.db2.gz CARIRGABTODDQS-ZBFHGGJFSA-N 1 1 374.510 3.222 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000064638646 494140483 /nfs/dbraw/zinc/14/04/83/494140483.db2.gz CARIRGABTODDQS-ZBFHGGJFSA-N 1 1 374.510 3.222 20 30 FGEDMO CN(C(=O)C[NH+]1CCC(Oc2ccccc2)CC1)C1(C#N)CCCCC1 ZINC000064793697 494149160 /nfs/dbraw/zinc/14/91/60/494149160.db2.gz JMORLZBQVVQNAY-UHFFFAOYSA-N 1 1 355.482 3.215 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@H+](CCCOCC(F)(F)F)CC2)cc1 ZINC000053605798 494151607 /nfs/dbraw/zinc/15/16/07/494151607.db2.gz LRXFUPRTIYIPCW-UHFFFAOYSA-N 1 1 355.404 3.035 20 30 FGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H](C)O1 ZINC000053898925 494175654 /nfs/dbraw/zinc/17/56/54/494175654.db2.gz KVQMMJAQTDLVKD-MELADBBJSA-N 1 1 361.511 3.182 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H](C)O1 ZINC000053898925 494175656 /nfs/dbraw/zinc/17/56/56/494175656.db2.gz KVQMMJAQTDLVKD-MELADBBJSA-N 1 1 361.511 3.182 20 30 FGEDMO C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053957623 494177618 /nfs/dbraw/zinc/17/76/18/494177618.db2.gz WGEHTFBKJPVZRC-YLJYHZDGSA-N 1 1 354.498 3.354 20 30 FGEDMO Cc1csc(NC(=O)C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000054235298 494211015 /nfs/dbraw/zinc/21/10/15/494211015.db2.gz ACKXOEIFLZRQAA-UHFFFAOYSA-N 1 1 358.442 3.313 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)cc4c3OCC4)C2)nc1 ZINC000577339297 505707966 /nfs/dbraw/zinc/70/79/66/505707966.db2.gz BVNCPZWLCSVNEU-QGZVFWFLSA-N 1 1 355.825 3.195 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)cc4c3OCC4)C2)nc1 ZINC000577339297 505707967 /nfs/dbraw/zinc/70/79/67/505707967.db2.gz BVNCPZWLCSVNEU-QGZVFWFLSA-N 1 1 355.825 3.195 20 30 FGEDMO C[C@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(F)c1 ZINC000072893849 494276347 /nfs/dbraw/zinc/27/63/47/494276347.db2.gz IZFDYZQNUFSGPJ-WXUSHSQQSA-N 1 1 371.412 3.040 20 30 FGEDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000015509494 494356973 /nfs/dbraw/zinc/35/69/73/494356973.db2.gz LXSFZDVRGLWECN-KGLIPLIRSA-N 1 1 353.422 3.253 20 30 FGEDMO CC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000066600496 494364111 /nfs/dbraw/zinc/36/41/11/494364111.db2.gz SEPSGLASZFTXKT-UHFFFAOYSA-N 1 1 354.498 3.356 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cc(C)on2)c(OC)c1 ZINC000044834309 494383067 /nfs/dbraw/zinc/38/30/67/494383067.db2.gz OLUSMODRGGHTDY-HKUYNNGSSA-N 1 1 372.465 3.297 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2cc(C)on2)c(OC)c1 ZINC000044834309 494383069 /nfs/dbraw/zinc/38/30/69/494383069.db2.gz OLUSMODRGGHTDY-HKUYNNGSSA-N 1 1 372.465 3.297 20 30 FGEDMO C=CCOc1ccccc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000045053266 494394094 /nfs/dbraw/zinc/39/40/94/494394094.db2.gz SDMXXDCAWAZZQH-UHFFFAOYSA-N 1 1 358.482 3.016 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCSC2)ccc1Cl ZINC000089936437 494407105 /nfs/dbraw/zinc/40/71/05/494407105.db2.gz YOEYQZQSVMCOFG-HNNXBMFYSA-N 1 1 351.903 3.332 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Cl)c2cccnc12 ZINC000089943760 494409052 /nfs/dbraw/zinc/40/90/52/494409052.db2.gz YIBDTJRTVKTEMI-UHFFFAOYSA-N 1 1 354.845 3.130 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000090010383 494428204 /nfs/dbraw/zinc/42/82/04/494428204.db2.gz RYCIJGDJNMGFBB-HXUWFJFHSA-N 1 1 352.482 3.130 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000090010382 494428513 /nfs/dbraw/zinc/42/85/13/494428513.db2.gz RYCIJGDJNMGFBB-FQEVSTJZSA-N 1 1 352.482 3.130 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2F)C1 ZINC000074128112 494485994 /nfs/dbraw/zinc/48/59/94/494485994.db2.gz PJDLGKDZOCGNCQ-IBGZPJMESA-N 1 1 366.440 3.113 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000074289026 494511319 /nfs/dbraw/zinc/51/13/19/494511319.db2.gz PFTNIWJFKSXWFL-KRWDZBQOSA-N 1 1 364.367 3.449 20 30 FGEDMO Cc1cccc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1 ZINC000022773744 494533731 /nfs/dbraw/zinc/53/37/31/494533731.db2.gz DSAHKPKJNCJPHL-GOSISDBHSA-N 1 1 362.477 3.012 20 30 FGEDMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1F ZINC000046518770 494534750 /nfs/dbraw/zinc/53/47/50/494534750.db2.gz BJFADXDGRHQQAJ-OAHLLOKOSA-N 1 1 369.440 3.185 20 30 FGEDMO COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1F ZINC000046518770 494534755 /nfs/dbraw/zinc/53/47/55/494534755.db2.gz BJFADXDGRHQQAJ-OAHLLOKOSA-N 1 1 369.440 3.185 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(CCOc3ccccc3Cl)CC2)cc1 ZINC000022781269 494535280 /nfs/dbraw/zinc/53/52/80/494535280.db2.gz YVUZDZIIJYTKNE-UHFFFAOYSA-N 1 1 355.869 3.408 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529810 494535926 /nfs/dbraw/zinc/53/59/26/494535926.db2.gz UWAVTXOZJJWVQZ-HNNXBMFYSA-N 1 1 365.433 3.179 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529810 494535931 /nfs/dbraw/zinc/53/59/31/494535931.db2.gz UWAVTXOZJJWVQZ-HNNXBMFYSA-N 1 1 365.433 3.179 20 30 FGEDMO CCc1cc2c(ncnc2N2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000024058362 494602898 /nfs/dbraw/zinc/60/28/98/494602898.db2.gz OHXCYJDQFASWAS-UHFFFAOYSA-N 1 1 363.490 3.448 20 30 FGEDMO C[C@@H]1C[C@H](CNC(=O)c2ccccc2OCC#N)C[N@H+]1Cc1ccccc1 ZINC000131493906 494637811 /nfs/dbraw/zinc/63/78/11/494637811.db2.gz JJOVVGOHTDBHQO-IEBWSBKVSA-N 1 1 363.461 3.229 20 30 FGEDMO COc1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)cc1OCCCC#N ZINC000091856674 494707633 /nfs/dbraw/zinc/70/76/33/494707633.db2.gz PLBZQFXTPOGEOV-LPHOPBHVSA-N 1 1 362.495 3.084 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)CCCCC1 ZINC000091869548 494709460 /nfs/dbraw/zinc/70/94/60/494709460.db2.gz LFACDFABFURXEG-UHFFFAOYSA-N 1 1 373.472 3.149 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1OC ZINC000092706314 494718795 /nfs/dbraw/zinc/71/87/95/494718795.db2.gz NSTHGUWILPMNFL-GOSISDBHSA-N 1 1 360.498 3.244 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000091936774 494728376 /nfs/dbraw/zinc/72/83/76/494728376.db2.gz MKBODPPWEDAEPT-QGZVFWFLSA-N 1 1 370.460 3.121 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000091936774 494728386 /nfs/dbraw/zinc/72/83/86/494728386.db2.gz MKBODPPWEDAEPT-QGZVFWFLSA-N 1 1 370.460 3.121 20 30 FGEDMO CCCN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000121391336 494735929 /nfs/dbraw/zinc/73/59/29/494735929.db2.gz QNCPIQGUBYBSSE-IBGZPJMESA-N 1 1 350.466 3.403 20 30 FGEDMO CCC[N@@H+](CC(=O)N(C)Cc1cccc(OC)c1)Cc1ccc(C#N)cc1 ZINC000047740371 494768882 /nfs/dbraw/zinc/76/88/82/494768882.db2.gz LZTJHDSBLAJWHU-UHFFFAOYSA-N 1 1 365.477 3.437 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1C#N ZINC000068122158 494769551 /nfs/dbraw/zinc/76/95/51/494769551.db2.gz ZABWCYMGRREMNP-CYBMUJFWSA-N 1 1 358.511 3.014 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)ccc1OC ZINC000092070942 494778137 /nfs/dbraw/zinc/77/81/37/494778137.db2.gz YMIIYQPMYSAFFC-SFHVURJKSA-N 1 1 356.470 3.154 20 30 FGEDMO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867060 494785171 /nfs/dbraw/zinc/78/51/71/494785171.db2.gz INJMUJFRQJZISJ-GOSISDBHSA-N 1 1 374.868 3.157 20 30 FGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000093015975 494810316 /nfs/dbraw/zinc/81/03/16/494810316.db2.gz VFEDQFIGNRNNTF-INIZCTEOSA-N 1 1 356.495 3.142 20 30 FGEDMO COc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)c(OC)c1 ZINC000026225083 494811455 /nfs/dbraw/zinc/81/14/55/494811455.db2.gz XRGBRZRRXUSMTK-UHFFFAOYSA-N 1 1 353.422 3.036 20 30 FGEDMO C#CCCOc1ccc(CNc2ccc(NC(=O)C[NH+](C)C)cc2)cc1 ZINC000132089140 494817240 /nfs/dbraw/zinc/81/72/40/494817240.db2.gz CKGPUJSZUORRGK-UHFFFAOYSA-N 1 1 351.450 3.201 20 30 FGEDMO C=CCC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000093216469 494844989 /nfs/dbraw/zinc/84/49/89/494844989.db2.gz PYUXFKJFZKVPJS-MRXNPFEDSA-N 1 1 351.878 3.125 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CCCc2cccnc21 ZINC000126859317 494851654 /nfs/dbraw/zinc/85/16/54/494851654.db2.gz SOVRIDKGGATSFM-LJQANCHMSA-N 1 1 367.497 3.073 20 30 FGEDMO C[C@H](CCO)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000093302929 494864246 /nfs/dbraw/zinc/86/42/46/494864246.db2.gz XUYXDLCXUHYDBB-MRXNPFEDSA-N 1 1 362.433 3.381 20 30 FGEDMO C[C@H](CCO)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000093302929 494864250 /nfs/dbraw/zinc/86/42/50/494864250.db2.gz XUYXDLCXUHYDBB-MRXNPFEDSA-N 1 1 362.433 3.381 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000093611343 494904072 /nfs/dbraw/zinc/90/40/72/494904072.db2.gz PIERLYZQNITXAE-SFHVURJKSA-N 1 1 359.477 3.302 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+](CCCO)[C@H]3CCCc4ccccc43)n2c1 ZINC000093741274 494915976 /nfs/dbraw/zinc/91/59/76/494915976.db2.gz ZUVCAEHNBUKGKH-NRFANRHFSA-N 1 1 360.461 3.468 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000118395243 495000175 /nfs/dbraw/zinc/00/01/75/495000175.db2.gz CXLHDROGVUELOY-MRXNPFEDSA-N 1 1 372.490 3.424 20 30 FGEDMO CN(C(=O)CNC(C)(C)C[N@H+](C)Cc1ccccc1)C1(C#N)CCCCC1 ZINC000118987969 495065520 /nfs/dbraw/zinc/06/55/20/495065520.db2.gz OHQUSEVKRUJAAJ-UHFFFAOYSA-N 1 1 370.541 3.171 20 30 FGEDMO CN(C(=O)CNC(C)(C)C[N@@H+](C)Cc1ccccc1)C1(C#N)CCCCC1 ZINC000118987969 495065522 /nfs/dbraw/zinc/06/55/22/495065522.db2.gz OHQUSEVKRUJAAJ-UHFFFAOYSA-N 1 1 370.541 3.171 20 30 FGEDMO C=CC1CCN(C(=O)NCC2CC[NH+](Cc3csc(C)n3)CC2)CC1 ZINC000111519699 495084804 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CC[C@H](C)[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)OC(C)(C)C ZINC000136799483 495402035 /nfs/dbraw/zinc/40/20/35/495402035.db2.gz UWCUEPGIGAISIE-ZDUSSCGKSA-N 1 1 365.499 3.391 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)nc1 ZINC000125256097 495414609 /nfs/dbraw/zinc/41/46/09/495414609.db2.gz ZMNVSVICOFNTRK-GOSISDBHSA-N 1 1 351.425 3.231 20 30 FGEDMO COC(=O)C1(c2ccccc2)CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000125264959 495416652 /nfs/dbraw/zinc/41/66/52/495416652.db2.gz MBHDEEUQAWOWEU-UHFFFAOYSA-N 1 1 351.421 3.384 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000574475514 505781265 /nfs/dbraw/zinc/78/12/65/505781265.db2.gz XTZVKRRMGMAWED-USWSCHJFSA-N 1 1 354.498 3.451 20 30 FGEDMO CN(C(=O)C[NH+]1CCC(OC2CCCCC2)CC1)C1(C#N)CCCCC1 ZINC000125621775 495472407 /nfs/dbraw/zinc/47/24/07/495472407.db2.gz HXQBWMMRAUNKPN-UHFFFAOYSA-N 1 1 361.530 3.485 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115321356 495490377 /nfs/dbraw/zinc/49/03/77/495490377.db2.gz GVMCNLOMWLZHJM-FQEVSTJZSA-N 1 1 363.461 3.351 20 30 FGEDMO CC[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125749534 495493180 /nfs/dbraw/zinc/49/31/80/495493180.db2.gz WWQKDPKNGJETKK-JXFKEZNVSA-N 1 1 363.461 3.061 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@@H]2CCOC2)c1C#N ZINC000106885445 495506567 /nfs/dbraw/zinc/50/65/67/495506567.db2.gz CCQAMVLNERGQTB-QGZVFWFLSA-N 1 1 358.486 3.141 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@@H]2CCOC2)c1C#N ZINC000106885445 495506569 /nfs/dbraw/zinc/50/65/69/495506569.db2.gz CCQAMVLNERGQTB-QGZVFWFLSA-N 1 1 358.486 3.141 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000141770577 495510171 /nfs/dbraw/zinc/51/01/71/495510171.db2.gz NZDYBMJJKGRPLE-INIZCTEOSA-N 1 1 359.451 3.223 20 30 FGEDMO N#Cc1ccc([C@H]([NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)C(N)=O)cc1 ZINC000115598708 495520752 /nfs/dbraw/zinc/52/07/52/495520752.db2.gz KAUOVUSQDBMDLS-ROUUACIJSA-N 1 1 371.387 3.353 20 30 FGEDMO Cc1cnc([C@@H]([NH2+]CC(=O)N(CCC#N)c2ccccc2)C2CC2)s1 ZINC000185330782 495535081 /nfs/dbraw/zinc/53/50/81/495535081.db2.gz GPJUNXKQRIBTHO-SFHVURJKSA-N 1 1 354.479 3.439 20 30 FGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176249969 495564002 /nfs/dbraw/zinc/56/40/02/495564002.db2.gz XUZYTZOCXHDESR-CRAIPNDOSA-N 1 1 372.465 3.349 20 30 FGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000176249969 495564006 /nfs/dbraw/zinc/56/40/06/495564006.db2.gz XUZYTZOCXHDESR-CRAIPNDOSA-N 1 1 372.465 3.349 20 30 FGEDMO COc1ccc(C[NH2+][C@@H](C)c2nnc3ccccn32)cc1OCCCC#N ZINC000147131939 495571479 /nfs/dbraw/zinc/57/14/79/495571479.db2.gz AKWPHZLYUCKUBQ-HNNXBMFYSA-N 1 1 365.437 3.271 20 30 FGEDMO C=C(C)C[C@@H](C)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000185453206 495583146 /nfs/dbraw/zinc/58/31/46/495583146.db2.gz XPMCIPQFLHOYOW-GOSISDBHSA-N 1 1 374.525 3.395 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185497321 495599807 /nfs/dbraw/zinc/59/98/07/495599807.db2.gz HGKBWOLVBIQPKU-HOTGVXAUSA-N 1 1 368.506 3.326 20 30 FGEDMO C[C@H]1C[N@H+](Cc2cccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)c2)CCO1 ZINC000577789929 505792908 /nfs/dbraw/zinc/79/29/08/505792908.db2.gz OVACARJLRGTCQQ-HNNXBMFYSA-N 1 1 366.421 3.299 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ccc(C#N)c([N+](=O)[O-])c3)c2)CCO1 ZINC000577789929 505792911 /nfs/dbraw/zinc/79/29/11/505792911.db2.gz OVACARJLRGTCQQ-HNNXBMFYSA-N 1 1 366.421 3.299 20 30 FGEDMO N#Cc1ccc2ncc(CNCC[NH+]3CCC4(CCCCC4)CC3)n2c1 ZINC000568854630 505793510 /nfs/dbraw/zinc/79/35/10/505793510.db2.gz CHSSERMPYQMHTH-UHFFFAOYSA-N 1 1 351.498 3.342 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000182603182 495631926 /nfs/dbraw/zinc/63/19/26/495631926.db2.gz IDBBSSQJYRTZTE-OAHLLOKOSA-N 1 1 351.410 3.053 20 30 FGEDMO C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000154617566 495674221 /nfs/dbraw/zinc/67/42/21/495674221.db2.gz XRNWVTHGHZDQGD-UHFFFAOYSA-N 1 1 368.481 3.418 20 30 FGEDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000173919459 495747191 /nfs/dbraw/zinc/74/71/91/495747191.db2.gz ICVWEAAANAVLMH-IRXDYDNUSA-N 1 1 374.554 3.293 20 30 FGEDMO CN(C)c1cccc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000182912723 495754446 /nfs/dbraw/zinc/75/44/46/495754446.db2.gz UQUCCUJRTRFWIZ-OAQYLSRUSA-N 1 1 362.477 3.252 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154879720 495759479 /nfs/dbraw/zinc/75/94/79/495759479.db2.gz NVCIPIJSZCVDPR-MJGOQNOKSA-N 1 1 354.498 3.294 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154879720 495759481 /nfs/dbraw/zinc/75/94/81/495759481.db2.gz NVCIPIJSZCVDPR-MJGOQNOKSA-N 1 1 354.498 3.294 20 30 FGEDMO Cn1cc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c(-c2ccc(C#N)cc2)n1 ZINC000179884765 495769635 /nfs/dbraw/zinc/76/96/35/495769635.db2.gz FHCHVXCRQTVURY-IBGZPJMESA-N 1 1 374.444 3.231 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccco1 ZINC000171290975 495806676 /nfs/dbraw/zinc/80/66/76/495806676.db2.gz QBDOWWYUZAXEST-GOSISDBHSA-N 1 1 352.438 3.128 20 30 FGEDMO COc1cccc([C@H]2[C@@H](NC(=O)c3sccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000183238996 495893563 /nfs/dbraw/zinc/89/35/63/495893563.db2.gz PWDIJWHAKNNCQX-ROUUACIJSA-N 1 1 367.474 3.336 20 30 FGEDMO COc1cccc([C@H]2[C@@H](NC(=O)c3sccc3C#N)CC[N@H+]2C2CC2)c1 ZINC000183238996 495893567 /nfs/dbraw/zinc/89/35/67/495893567.db2.gz PWDIJWHAKNNCQX-ROUUACIJSA-N 1 1 367.474 3.336 20 30 FGEDMO CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1CC(F)F ZINC000180222820 495914216 /nfs/dbraw/zinc/91/42/16/495914216.db2.gz RDUNHNIBNUBASF-SFHVURJKSA-N 1 1 373.451 3.120 20 30 FGEDMO CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1CC(F)F ZINC000180222820 495914221 /nfs/dbraw/zinc/91/42/21/495914221.db2.gz RDUNHNIBNUBASF-SFHVURJKSA-N 1 1 373.451 3.120 20 30 FGEDMO C[C@@H]([N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1(C)CC1 ZINC000177252517 495994384 /nfs/dbraw/zinc/99/43/84/495994384.db2.gz SWWGHHKKWQOMEU-CQSZACIVSA-N 1 1 352.400 3.294 20 30 FGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1F ZINC000160647343 496011803 /nfs/dbraw/zinc/01/18/03/496011803.db2.gz NZZRFPLMXJNXIM-MRXNPFEDSA-N 1 1 353.445 3.395 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCOc1ccc2ccccc2c1 ZINC000155681806 496034476 /nfs/dbraw/zinc/03/44/76/496034476.db2.gz LFGXPVCLRZJBMH-KRWDZBQOSA-N 1 1 373.460 3.091 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCOc1ccc2ccccc2c1 ZINC000155681806 496034479 /nfs/dbraw/zinc/03/44/79/496034479.db2.gz LFGXPVCLRZJBMH-KRWDZBQOSA-N 1 1 373.460 3.091 20 30 FGEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)nnn1-c1ccc(F)cc1 ZINC000180553192 496041397 /nfs/dbraw/zinc/04/13/97/496041397.db2.gz SDGSPJYRZXFKDW-AWEZNQCLSA-N 1 1 365.412 3.468 20 30 FGEDMO Cc1oc(NC(=O)C[NH2+]C(C)(C)c2nc3ccccc3n2C)c(C#N)c1C ZINC000186565686 496048472 /nfs/dbraw/zinc/04/84/72/496048472.db2.gz DXFFIZVJJVLYIL-UHFFFAOYSA-N 1 1 365.437 3.118 20 30 FGEDMO C#CCOc1cc(F)ccc1NC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000155877314 496094698 /nfs/dbraw/zinc/09/46/98/496094698.db2.gz RBSQCUBNGNHVHZ-HNNXBMFYSA-N 1 1 359.445 3.318 20 30 FGEDMO C=CCN(CC=C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000183765522 496108662 /nfs/dbraw/zinc/10/86/62/496108662.db2.gz WICGTWLXKGNKGO-UXHICEINSA-N 1 1 355.482 3.357 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c2ccccc21 ZINC000174820746 496120996 /nfs/dbraw/zinc/12/09/96/496120996.db2.gz VVNDUUUIVQCTEY-MRXNPFEDSA-N 1 1 351.450 3.239 20 30 FGEDMO N#CC1(NC(=O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)CCCCC1 ZINC000174907791 496159954 /nfs/dbraw/zinc/15/99/54/496159954.db2.gz FLFKMKAOJUEICC-FQEVSTJZSA-N 1 1 369.509 3.091 20 30 FGEDMO COCCC[N@@H+](C)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000152494137 496168398 /nfs/dbraw/zinc/16/83/98/496168398.db2.gz DZTQXTOEGDHMJW-UHFFFAOYSA-N 1 1 367.449 3.049 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1OCC#N ZINC000174927213 496168631 /nfs/dbraw/zinc/16/86/31/496168631.db2.gz GNMUYLFAINMSIO-IBGZPJMESA-N 1 1 363.461 3.183 20 30 FGEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000177727793 496174895 /nfs/dbraw/zinc/17/48/95/496174895.db2.gz BRZAXFUJZMPTDG-HAWMADMCSA-N 1 1 369.490 3.317 20 30 FGEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000172151954 496186800 /nfs/dbraw/zinc/18/68/00/496186800.db2.gz FQZKCERSYUVAHJ-LPHOPBHVSA-N 1 1 363.465 3.294 20 30 FGEDMO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc2c(s1)CCCC2 ZINC000177781301 496192497 /nfs/dbraw/zinc/19/24/97/496192497.db2.gz CHSSHJWJTKLTNO-UHFFFAOYSA-N 1 1 354.479 3.354 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc2c(s1)CCCC2 ZINC000177781301 496192499 /nfs/dbraw/zinc/19/24/99/496192499.db2.gz CHSSHJWJTKLTNO-UHFFFAOYSA-N 1 1 354.479 3.354 20 30 FGEDMO C[NH+](C)[C@@H]1CCC[C@@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000175013433 496207606 /nfs/dbraw/zinc/20/76/06/496207606.db2.gz FMVOPHHMJAFZHS-WOJBJXKFSA-N 1 1 351.498 3.426 20 30 FGEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000177847509 496221213 /nfs/dbraw/zinc/22/12/13/496221213.db2.gz HUYBRLAWGTXSGJ-INIZCTEOSA-N 1 1 367.415 3.040 20 30 FGEDMO Cc1nc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)ccc1C#N ZINC000177965561 496269008 /nfs/dbraw/zinc/26/90/08/496269008.db2.gz FGDKIKYXLQXZSE-MRXNPFEDSA-N 1 1 354.498 3.378 20 30 FGEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000178042910 496301176 /nfs/dbraw/zinc/30/11/76/496301176.db2.gz PIGWZXNCJYTDGL-LBPRGKRZSA-N 1 1 354.376 3.383 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000175241434 496304534 /nfs/dbraw/zinc/30/45/34/496304534.db2.gz XAYRDECVLIEMKT-LSDHHAIUSA-N 1 1 372.494 3.446 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184274384 496315519 /nfs/dbraw/zinc/31/55/19/496315519.db2.gz FHEMMHYSJHLSQJ-GJZGRUSLSA-N 1 1 372.494 3.446 20 30 FGEDMO C=CCOCCCC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000153028041 496331028 /nfs/dbraw/zinc/33/10/28/496331028.db2.gz KODKSJVENDTULW-IBGZPJMESA-N 1 1 368.481 3.251 20 30 FGEDMO C=CCn1c(SCCC[NH+]2CCN(C)CC2)nnc1-c1cccc(C)c1 ZINC000181309087 496348267 /nfs/dbraw/zinc/34/82/67/496348267.db2.gz KLEGDACOTISLJF-UHFFFAOYSA-N 1 1 371.554 3.169 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000172682529 496385481 /nfs/dbraw/zinc/38/54/81/496385481.db2.gz VGWZCCRGSLFBHC-YLJYHZDGSA-N 1 1 353.491 3.362 20 30 FGEDMO Cc1nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1C#N ZINC000178301885 496405598 /nfs/dbraw/zinc/40/55/98/496405598.db2.gz KIBAIORLLGUOJS-IFMALSPDSA-N 1 1 374.488 3.388 20 30 FGEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)CC1(O)CCCCCC1 ZINC000187355307 496406655 /nfs/dbraw/zinc/40/66/55/496406655.db2.gz CYYNKCCDBRZNBD-UHFFFAOYSA-N 1 1 361.511 3.258 20 30 FGEDMO C=CC[NH+]1CCC(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000184561682 496440013 /nfs/dbraw/zinc/44/00/13/496440013.db2.gz CJVXMXAUVISLDD-OAQYLSRUSA-N 1 1 372.557 3.093 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2CCO)ccc1Cl ZINC000163112001 496466606 /nfs/dbraw/zinc/46/66/06/496466606.db2.gz QBMIZWSQGAWOQL-MRXNPFEDSA-N 1 1 363.889 3.132 20 30 FGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181616138 496471707 /nfs/dbraw/zinc/47/17/07/496471707.db2.gz QBFNCHGROAPNFO-GOSISDBHSA-N 1 1 369.421 3.117 20 30 FGEDMO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCSCC#N)CC1 ZINC000181643723 496483310 /nfs/dbraw/zinc/48/33/10/496483310.db2.gz OQFJIFXNWATOJN-MRXNPFEDSA-N 1 1 364.534 3.265 20 30 FGEDMO Cc1c(C#N)cccc1NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178572511 496503629 /nfs/dbraw/zinc/50/36/29/496503629.db2.gz QVLRACNTJUPBDT-IYBDPMFKSA-N 1 1 370.497 3.220 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCc1nccs1 ZINC000157620410 496517229 /nfs/dbraw/zinc/51/72/29/496517229.db2.gz UPSMRRCYYNPFSF-CQSZACIVSA-N 1 1 360.458 3.092 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCc1nccs1 ZINC000157620410 496517231 /nfs/dbraw/zinc/51/72/31/496517231.db2.gz UPSMRRCYYNPFSF-CQSZACIVSA-N 1 1 360.458 3.092 20 30 FGEDMO CCN(Cc1cnc2ccc(C#N)cn12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184800443 496537521 /nfs/dbraw/zinc/53/75/21/496537521.db2.gz HUSIESRPLQURHI-FQEVSTJZSA-N 1 1 359.477 3.302 20 30 FGEDMO COC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(C)o1 ZINC000181848078 496570726 /nfs/dbraw/zinc/57/07/26/496570726.db2.gz MNCFPDZTGCIACP-FQEVSTJZSA-N 1 1 353.466 3.401 20 30 FGEDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000181970180 496617784 /nfs/dbraw/zinc/61/77/84/496617784.db2.gz AZNUXBNMFOVNAU-OLZOCXBDSA-N 1 1 371.437 3.463 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@]4(C3)CCc3ccccc3O4)C2=O)cc1 ZINC000571962781 505856679 /nfs/dbraw/zinc/85/66/79/505856679.db2.gz APQYTWQWLXLVPB-REWPJTCUSA-N 1 1 373.456 3.133 20 30 FGEDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCOc3ccccc3C#N)n2)c1 ZINC000185124909 496670605 /nfs/dbraw/zinc/67/06/05/496670605.db2.gz HPRZUDLRKIUSMM-AWEZNQCLSA-N 1 1 364.405 3.346 20 30 FGEDMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000188097038 496682503 /nfs/dbraw/zinc/68/25/03/496682503.db2.gz XYIAGNVZHXBIFP-INIZCTEOSA-N 1 1 369.490 3.291 20 30 FGEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)cc1C#N ZINC000179189081 496705112 /nfs/dbraw/zinc/70/51/12/496705112.db2.gz CCMIOBWCZUNYSV-UHFFFAOYSA-N 1 1 351.450 3.035 20 30 FGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220343 496711504 /nfs/dbraw/zinc/71/15/04/496711504.db2.gz KTYCZMPRHYCWMM-MRXNPFEDSA-N 1 1 360.385 3.162 20 30 FGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182220343 496711508 /nfs/dbraw/zinc/71/15/08/496711508.db2.gz KTYCZMPRHYCWMM-MRXNPFEDSA-N 1 1 360.385 3.162 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000158510117 496716434 /nfs/dbraw/zinc/71/64/34/496716434.db2.gz WTKLINBDMJQQJN-IYBDPMFKSA-N 1 1 350.466 3.294 20 30 FGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000247002820 496748392 /nfs/dbraw/zinc/74/83/92/496748392.db2.gz TWMKUOSWUMSMAC-QRWLVFNGSA-N 1 1 367.424 3.488 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000247002820 496748393 /nfs/dbraw/zinc/74/83/93/496748393.db2.gz TWMKUOSWUMSMAC-QRWLVFNGSA-N 1 1 367.424 3.488 20 30 FGEDMO CN(Cc1cccs1)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264077828 496806832 /nfs/dbraw/zinc/80/68/32/496806832.db2.gz CFCZPDXQTQRPJK-UHFFFAOYSA-N 1 1 369.490 3.122 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)ccc1OC ZINC000247236305 496811354 /nfs/dbraw/zinc/81/13/54/496811354.db2.gz WOISVNATNXPTIK-IPMKNSEASA-N 1 1 361.482 3.418 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)ccc1OC ZINC000247236305 496811355 /nfs/dbraw/zinc/81/13/55/496811355.db2.gz WOISVNATNXPTIK-IPMKNSEASA-N 1 1 361.482 3.418 20 30 FGEDMO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264117396 496815614 /nfs/dbraw/zinc/81/56/14/496815614.db2.gz LPKVYPWJHJUGGQ-OAHLLOKOSA-N 1 1 369.490 3.168 20 30 FGEDMO Cc1ccc(-c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)n[nH]2)c(C)c1 ZINC000188618917 496853449 /nfs/dbraw/zinc/85/34/49/496853449.db2.gz WSXIBUBKLPJJCW-UHFFFAOYSA-N 1 1 353.470 3.001 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](N3CCCCC3)C2)cc1Cl ZINC000264577238 496934369 /nfs/dbraw/zinc/93/43/69/496934369.db2.gz IVHDPZPJWNEMSM-QGZVFWFLSA-N 1 1 360.889 3.100 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](N3CCCCC3)C2)cc1Cl ZINC000264577238 496934373 /nfs/dbraw/zinc/93/43/73/496934373.db2.gz IVHDPZPJWNEMSM-QGZVFWFLSA-N 1 1 360.889 3.100 20 30 FGEDMO N#CCOc1ccc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000264580989 496935207 /nfs/dbraw/zinc/93/52/07/496935207.db2.gz VKYDNZHRWRDRAH-UHFFFAOYSA-N 1 1 365.433 3.296 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1F ZINC000191933485 496935392 /nfs/dbraw/zinc/93/53/92/496935392.db2.gz UZAJHJBTSLADCY-KRWDZBQOSA-N 1 1 353.445 3.395 20 30 FGEDMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(C#N)cc1 ZINC000269393652 496937157 /nfs/dbraw/zinc/93/71/57/496937157.db2.gz AYSIITTUUNKHCD-QKYXUNIQSA-N 1 1 352.482 3.278 20 30 FGEDMO N#Cc1cccc(OC2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)c1 ZINC000191996234 496957896 /nfs/dbraw/zinc/95/78/96/496957896.db2.gz LEUPWLFFPYNNIM-NRFANRHFSA-N 1 1 361.445 3.355 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000248356989 496983186 /nfs/dbraw/zinc/98/31/86/496983186.db2.gz OZPDBKVOTJWSIS-SJORKVTESA-N 1 1 372.538 3.047 20 30 FGEDMO C[C@H](CCc1cccc(F)c1)[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000248387752 496990884 /nfs/dbraw/zinc/99/08/84/496990884.db2.gz PUPYNBONIXOHEO-CVEARBPZSA-N 1 1 353.445 3.019 20 30 FGEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)O1 ZINC000189070712 496998605 /nfs/dbraw/zinc/99/86/05/496998605.db2.gz RXOKEBFURRXJRH-NFAWXSAZSA-N 1 1 368.403 3.050 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572054728 505878626 /nfs/dbraw/zinc/87/86/26/505878626.db2.gz OLLPIRNGVDOAKA-QRQLOZEOSA-N 1 1 368.880 3.446 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572054728 505878630 /nfs/dbraw/zinc/87/86/30/505878630.db2.gz OLLPIRNGVDOAKA-QRQLOZEOSA-N 1 1 368.880 3.446 20 30 FGEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)c3cccc(C#N)n3)CC2)c1C ZINC000270018927 497041519 /nfs/dbraw/zinc/04/15/19/497041519.db2.gz DAGJDMDUWRVSHB-UHFFFAOYSA-N 1 1 365.481 3.075 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000265130385 497053681 /nfs/dbraw/zinc/05/36/81/497053681.db2.gz JWYBWWUNJWQWPJ-XJKSGUPXSA-N 1 1 368.403 3.081 20 30 FGEDMO C=C(C)[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)OCC ZINC000270102936 497058877 /nfs/dbraw/zinc/05/88/77/497058877.db2.gz QVXAHMFJGHJHFQ-SJLPKXTDSA-N 1 1 350.528 3.448 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc(C#N)ccc1F ZINC000248790566 497104867 /nfs/dbraw/zinc/10/48/67/497104867.db2.gz ITNCJOMNFCFWNW-FOIQADDNSA-N 1 1 366.440 3.017 20 30 FGEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000270346546 497106743 /nfs/dbraw/zinc/10/67/43/497106743.db2.gz OYFVWEBXFNQWRG-SIKLNZKXSA-N 1 1 360.461 3.414 20 30 FGEDMO C[C@@H](CNCc1cn(CCC#N)nc1-c1ccncc1)C[NH+]1CCCCC1 ZINC000278545244 497149672 /nfs/dbraw/zinc/14/96/72/497149672.db2.gz ASEJOBNEODXAKY-SFHVURJKSA-N 1 1 366.513 3.070 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278726482 497201895 /nfs/dbraw/zinc/20/18/95/497201895.db2.gz TYXITMLPVJZUID-SFHVURJKSA-N 1 1 366.513 3.213 20 30 FGEDMO C=C[C@H](CC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)c1ccccc1 ZINC000270830883 497211525 /nfs/dbraw/zinc/21/15/25/497211525.db2.gz CQPFPYSUKOSQCC-HXUWFJFHSA-N 1 1 369.553 3.363 20 30 FGEDMO CC[C@]1(CO)CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000249547550 497219634 /nfs/dbraw/zinc/21/96/34/497219634.db2.gz GQMWFMYLSUPSDR-KNQAVFIVSA-N 1 1 371.525 3.423 20 30 FGEDMO CC[C@](C)(O)C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000189727411 497224853 /nfs/dbraw/zinc/22/48/53/497224853.db2.gz ZWGQDKIQAJWOLP-IBGZPJMESA-N 1 1 357.479 3.221 20 30 FGEDMO CC[C@](C)(O)C[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000189727411 497224854 /nfs/dbraw/zinc/22/48/54/497224854.db2.gz ZWGQDKIQAJWOLP-IBGZPJMESA-N 1 1 357.479 3.221 20 30 FGEDMO COc1ccc(-n2ccc(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)n2)cc1 ZINC000237522424 497250010 /nfs/dbraw/zinc/25/00/10/497250010.db2.gz USODMIXRNPBMOY-INIZCTEOSA-N 1 1 362.433 3.462 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)cc1 ZINC000271117075 497267505 /nfs/dbraw/zinc/26/75/05/497267505.db2.gz CESZTJRGJLBKPV-JOCHJYFZSA-N 1 1 367.493 3.046 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H](C)C1 ZINC000278940459 497275107 /nfs/dbraw/zinc/27/51/07/497275107.db2.gz CXDVFYICJVMOOI-KSSFIOAISA-N 1 1 352.438 3.016 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000189897790 497285089 /nfs/dbraw/zinc/28/50/89/497285089.db2.gz NWVBSKYZRRZJQS-AWEZNQCLSA-N 1 1 361.511 3.112 20 30 FGEDMO C=CCC[C@H](C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000189911327 497290195 /nfs/dbraw/zinc/29/01/95/497290195.db2.gz KUZCGXQRBVTEAK-VXKWHMMOSA-N 1 1 369.553 3.365 20 30 FGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000261401597 497409778 /nfs/dbraw/zinc/40/97/78/497409778.db2.gz XOXWCNAFGFUTEL-CQSZACIVSA-N 1 1 366.465 3.255 20 30 FGEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000261401597 497409783 /nfs/dbraw/zinc/40/97/83/497409783.db2.gz XOXWCNAFGFUTEL-CQSZACIVSA-N 1 1 366.465 3.255 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245446179 497411206 /nfs/dbraw/zinc/41/12/06/497411206.db2.gz KZJQUWFNFTXLSY-RBUKOAKNSA-N 1 1 356.514 3.128 20 30 FGEDMO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1CCCC[C@H]1O ZINC000245553928 497452832 /nfs/dbraw/zinc/45/28/32/497452832.db2.gz RUTSZXDAOXJQFM-MAUKXSAKSA-N 1 1 363.889 3.070 20 30 FGEDMO CN(C(=O)c1sccc1C#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245714699 497513824 /nfs/dbraw/zinc/51/38/24/497513824.db2.gz OGXIAJIIHHXCFT-ZWKOTPCHSA-N 1 1 374.554 3.029 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]2(C)CCCO)c1C ZINC000272045524 497521263 /nfs/dbraw/zinc/52/12/63/497521263.db2.gz SDIUHXCBCZSZJN-OAQYLSRUSA-N 1 1 357.498 3.177 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267405347 497543900 /nfs/dbraw/zinc/54/39/00/497543900.db2.gz GWZDOYHEOIBCOF-CVEARBPZSA-N 1 1 358.511 3.254 20 30 FGEDMO C#CCn1ccc(C[N@H+](CC)CCC(=O)Nc2ccc(Cl)cc2F)n1 ZINC000279797519 497544904 /nfs/dbraw/zinc/54/49/04/497544904.db2.gz WGZSEFPEGRCNCT-UHFFFAOYSA-N 1 1 362.836 3.160 20 30 FGEDMO C#CCn1ccc(C[N@@H+](CC)CCC(=O)Nc2ccc(Cl)cc2F)n1 ZINC000279797519 497544907 /nfs/dbraw/zinc/54/49/07/497544907.db2.gz WGZSEFPEGRCNCT-UHFFFAOYSA-N 1 1 362.836 3.160 20 30 FGEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1F ZINC000190616893 497547918 /nfs/dbraw/zinc/54/79/18/497547918.db2.gz UNECNMPEJLQGGF-ORAYPTAESA-N 1 1 355.388 3.288 20 30 FGEDMO Cc1ccc2nc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cn2c1 ZINC000267614073 497588837 /nfs/dbraw/zinc/58/88/37/497588837.db2.gz IMAJQCKGIVYJOC-UHFFFAOYSA-N 1 1 373.460 3.365 20 30 FGEDMO C=CCN(CCOC)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000190899776 497637905 /nfs/dbraw/zinc/63/79/05/497637905.db2.gz AJRSXCMVSCGACT-GOSISDBHSA-N 1 1 359.514 3.263 20 30 FGEDMO CC(=O)c1ccc(C#N)c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000272501118 497644960 /nfs/dbraw/zinc/64/49/60/497644960.db2.gz LIMAFRVUKAKLRX-UHFFFAOYSA-N 1 1 358.445 3.345 20 30 FGEDMO CC(=O)c1ccc(C#N)c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000272501118 497644966 /nfs/dbraw/zinc/64/49/66/497644966.db2.gz LIMAFRVUKAKLRX-UHFFFAOYSA-N 1 1 358.445 3.345 20 30 FGEDMO CC(C)(C#N)c1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000280108810 497652516 /nfs/dbraw/zinc/65/25/16/497652516.db2.gz BFPDZUUDCHKRNE-UHFFFAOYSA-N 1 1 353.491 3.337 20 30 FGEDMO CC(C)(C#N)c1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000280108810 497652519 /nfs/dbraw/zinc/65/25/19/497652519.db2.gz BFPDZUUDCHKRNE-UHFFFAOYSA-N 1 1 353.491 3.337 20 30 FGEDMO CCOC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000246270056 497679662 /nfs/dbraw/zinc/67/96/62/497679662.db2.gz ATUKYFJNEAXNTG-MSOLQXFVSA-N 1 1 373.497 3.079 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272762212 497724435 /nfs/dbraw/zinc/72/44/35/497724435.db2.gz VUDGGBDFNWDGEQ-HOCLYGCPSA-N 1 1 356.470 3.341 20 30 FGEDMO C=CCC(CC=C)C(=O)N1CCC([N@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000277105318 497743339 /nfs/dbraw/zinc/74/33/39/497743339.db2.gz WAUYPOQUMBUXQC-UHFFFAOYSA-N 1 1 364.530 3.409 20 30 FGEDMO C=CCC(CC=C)C(=O)N1CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC000277105318 497743342 /nfs/dbraw/zinc/74/33/42/497743342.db2.gz WAUYPOQUMBUXQC-UHFFFAOYSA-N 1 1 364.530 3.409 20 30 FGEDMO N#Cc1ccnc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000268474518 497760451 /nfs/dbraw/zinc/76/04/51/497760451.db2.gz KBPDMYAWGZJZJG-ZDUSSCGKSA-N 1 1 357.439 3.247 20 30 FGEDMO Cn1nc(C(F)(F)F)c(C[NH2+]Cc2ccc(OCC#N)cc2)c1Cl ZINC000272957086 497771580 /nfs/dbraw/zinc/77/15/80/497771580.db2.gz ZPAGHQLZLBBOQH-UHFFFAOYSA-N 1 1 358.751 3.284 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000246644001 497794219 /nfs/dbraw/zinc/79/42/19/497794219.db2.gz UQLPTWPQKPGDFR-ABSDTBQOSA-N 1 1 363.461 3.105 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246801442 497812194 /nfs/dbraw/zinc/81/21/94/497812194.db2.gz RPYNCUQQOFCBMG-RYRKJORJSA-N 1 1 373.522 3.378 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246801442 497812196 /nfs/dbraw/zinc/81/21/96/497812196.db2.gz RPYNCUQQOFCBMG-RYRKJORJSA-N 1 1 373.522 3.378 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000246812231 497813051 /nfs/dbraw/zinc/81/30/51/497813051.db2.gz DHNCDMNURNQNTD-GHTZIAJQSA-N 1 1 355.482 3.051 20 30 FGEDMO CO[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000280598497 497821602 /nfs/dbraw/zinc/82/16/02/497821602.db2.gz UXRLWJVKULAFPX-OXJNMPFZSA-N 1 1 361.461 3.352 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H]1c1ccc(Cl)cc1 ZINC000329584272 497836977 /nfs/dbraw/zinc/83/69/77/497836977.db2.gz QUEDKVQHEVNPAR-OGCZYDBJSA-N 1 1 364.873 3.093 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H]1c1ccc(Cl)cc1 ZINC000329584272 497836979 /nfs/dbraw/zinc/83/69/79/497836979.db2.gz QUEDKVQHEVNPAR-OGCZYDBJSA-N 1 1 364.873 3.093 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC[C@H]3C3CC3)sc2C1 ZINC000334033883 497855032 /nfs/dbraw/zinc/85/50/32/497855032.db2.gz MRWRCLKUYHPCBZ-GUYCJALGSA-N 1 1 373.522 3.184 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCOC[C@H]3C3CC3)sc2C1 ZINC000334033883 497855039 /nfs/dbraw/zinc/85/50/39/497855039.db2.gz MRWRCLKUYHPCBZ-GUYCJALGSA-N 1 1 373.522 3.184 20 30 FGEDMO C=CCn1c(C2CC2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000569444959 505937422 /nfs/dbraw/zinc/93/74/22/505937422.db2.gz BGKCZSMZLRCUDI-UHFFFAOYSA-N 1 1 355.461 3.193 20 30 FGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@]34CCOC4)CC2)cs1 ZINC000329679178 497865823 /nfs/dbraw/zinc/86/58/23/497865823.db2.gz VWSMMTIQMXJACH-LPHOPBHVSA-N 1 1 363.527 3.301 20 30 FGEDMO C=CCn1c(COCc2ccccc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000295959155 497868832 /nfs/dbraw/zinc/86/88/32/497868832.db2.gz MUQZBAGDLIDJPA-UHFFFAOYSA-N 1 1 369.513 3.101 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CC[N@H+]1C ZINC000329686663 497869363 /nfs/dbraw/zinc/86/93/63/497869363.db2.gz FSRWRTWYAQRGAG-SZVBFZGTSA-N 1 1 357.498 3.067 20 30 FGEDMO Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000329704664 497874645 /nfs/dbraw/zinc/87/46/45/497874645.db2.gz JPIIFNZCBUUBOU-VDGAXYAQSA-N 1 1 357.498 3.369 20 30 FGEDMO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000299633544 497875971 /nfs/dbraw/zinc/87/59/71/497875971.db2.gz LRWAMBJYDMXZFC-UHFFFAOYSA-N 1 1 362.408 3.420 20 30 FGEDMO Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000329711583 497877496 /nfs/dbraw/zinc/87/74/96/497877496.db2.gz OSALZTBLCRPFEW-UNEWFSDZSA-N 1 1 361.490 3.082 20 30 FGEDMO CCC[C@@]1(CO)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000288727882 497880517 /nfs/dbraw/zinc/88/05/17/497880517.db2.gz GKPAUTQOZZTJAR-OAQYLSRUSA-N 1 1 353.466 3.222 20 30 FGEDMO CCC[C@@]1(CO)CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000288727882 497880521 /nfs/dbraw/zinc/88/05/21/497880521.db2.gz GKPAUTQOZZTJAR-OAQYLSRUSA-N 1 1 353.466 3.222 20 30 FGEDMO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1)C1=CC[N@@H+](C)CC1 ZINC000329757707 497890530 /nfs/dbraw/zinc/89/05/30/497890530.db2.gz ZNBLNARKFMYNLW-KANFNMMFSA-N 1 1 369.513 3.221 20 30 FGEDMO CO[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000329776578 497897223 /nfs/dbraw/zinc/89/72/23/497897223.db2.gz OGLXRMFSYIUMTB-IXDOHACOSA-N 1 1 351.878 3.158 20 30 FGEDMO C#CCOc1ccc(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000280792988 497901022 /nfs/dbraw/zinc/90/10/22/497901022.db2.gz REIDBVKNLKXMGA-UWJYYQICSA-N 1 1 371.502 3.271 20 30 FGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000329844809 497923430 /nfs/dbraw/zinc/92/34/30/497923430.db2.gz QAQCAWMJNIYEQX-IYBDPMFKSA-N 1 1 374.481 3.293 20 30 FGEDMO O=C(C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1)NC(=O)NC1CCCCC1 ZINC000329853742 497928840 /nfs/dbraw/zinc/92/88/40/497928840.db2.gz SEADFMBLHHBDJP-GOSISDBHSA-N 1 1 370.497 3.327 20 30 FGEDMO Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cnn1C ZINC000329884262 497938251 /nfs/dbraw/zinc/93/82/51/497938251.db2.gz SFDRCOXZUCOEPH-AOIWGVFYSA-N 1 1 362.518 3.131 20 30 FGEDMO CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)CC2 ZINC000329883206 497938773 /nfs/dbraw/zinc/93/87/73/497938773.db2.gz QVVNLKHLZIOJIX-NVXWUHKLSA-N 1 1 359.518 3.470 20 30 FGEDMO 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N#C[C@@H]1CCC[C@@H]1NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000331410058 498322787 /nfs/dbraw/zinc/32/27/87/498322787.db2.gz JEMYJJVHUDTUQI-BQFCYCMXSA-N 1 1 365.399 3.249 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000293353367 498357083 /nfs/dbraw/zinc/35/70/83/498357083.db2.gz HEFTWOYRIUCCFQ-HOTGVXAUSA-N 1 1 374.366 3.147 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000361389218 498384933 /nfs/dbraw/zinc/38/49/33/498384933.db2.gz IJFFXUAOKVSOPV-QFIPXVFZSA-N 1 1 362.477 3.025 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(c3cc(C#N)ccc3C(C)=O)CC2)cc1 ZINC000302059323 498390229 /nfs/dbraw/zinc/39/02/29/498390229.db2.gz SDIOLLCZZAATAJ-UHFFFAOYSA-N 1 1 363.461 3.482 20 30 FGEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N(CCC#N)CC(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000575903657 506029854 /nfs/dbraw/zinc/02/98/54/506029854.db2.gz PENHUZYHINEJAI-GHMZBOCLSA-N 1 1 373.341 3.200 20 30 FGEDMO CC(C)(O)C[N@H+]1CCc2c(cccc2Nc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000302186430 498433883 /nfs/dbraw/zinc/43/38/83/498433883.db2.gz UKNUHRHGFHZMMY-UHFFFAOYSA-N 1 1 366.421 3.339 20 30 FGEDMO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)c1nc(C(F)(F)F)cs1 ZINC000599395750 506441681 /nfs/dbraw/zinc/44/16/81/506441681.db2.gz KJBGFVLCZJTAKI-PWSUYJOCSA-N 1 1 371.384 3.124 20 30 FGEDMO Cc1oc(C#N)cc1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000331764281 498445994 /nfs/dbraw/zinc/44/59/94/498445994.db2.gz FWVHFLUQBXIQCL-ZIAGYGMSSA-N 1 1 353.422 3.321 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000365484470 498490845 /nfs/dbraw/zinc/49/08/45/498490845.db2.gz ZKMWFNXJVUXLDO-WMZOPIPTSA-N 1 1 354.479 3.112 20 30 FGEDMO C[N@H+]1CCN(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1(C)C ZINC000282389927 498491930 /nfs/dbraw/zinc/49/19/30/498491930.db2.gz RCLZTJPAVNRYAS-UHFFFAOYSA-N 1 1 354.542 3.006 20 30 FGEDMO C=CCN(C(=O)c1ccnn1CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365533138 498518043 /nfs/dbraw/zinc/51/80/43/498518043.db2.gz 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C=CCOc1ccc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)cc1OC ZINC000363032867 498613523 /nfs/dbraw/zinc/61/35/23/498613523.db2.gz ZAQINVPVRSQVMY-HNNXBMFYSA-N 1 1 356.470 3.429 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCCC3(F)F)CC2)cc1 ZINC000294215545 498622603 /nfs/dbraw/zinc/62/26/03/498622603.db2.gz ASZVMRRDJDQFNP-GOSISDBHSA-N 1 1 361.436 3.418 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCCC3(F)F)CC2)cc1 ZINC000294215545 498622612 /nfs/dbraw/zinc/62/26/12/498622612.db2.gz ASZVMRRDJDQFNP-GOSISDBHSA-N 1 1 361.436 3.418 20 30 FGEDMO COc1ccc(C[C@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)cc1 ZINC000576081352 506071625 /nfs/dbraw/zinc/07/16/25/506071625.db2.gz IGSPJOSABOCDCM-WIYYLYMNSA-N 1 1 357.498 3.004 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303497132 498681832 /nfs/dbraw/zinc/68/18/32/498681832.db2.gz UGMWKQHKIVSOSH-KSZLIROESA-N 1 1 359.514 3.417 20 30 FGEDMO CC1(C)CC[N@@H+](CC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000579023258 506076657 /nfs/dbraw/zinc/07/66/57/506076657.db2.gz LHNSGZIJRMHCBQ-UHFFFAOYSA-N 1 1 355.482 3.096 20 30 FGEDMO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(F)cc1O ZINC000287321420 498715622 /nfs/dbraw/zinc/71/56/22/498715622.db2.gz FLGGJRQOMBLBNP-RTBURBONSA-N 1 1 367.424 3.245 20 30 FGEDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000332598284 498736822 /nfs/dbraw/zinc/73/68/22/498736822.db2.gz IJZYUFMDTFJILG-BXUZGUMPSA-N 1 1 363.259 3.021 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000311721796 498754726 /nfs/dbraw/zinc/75/47/26/498754726.db2.gz POVLLHYXDCJWRA-UGSOOPFHSA-N 1 1 355.388 3.229 20 30 FGEDMO Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000363332407 498766035 /nfs/dbraw/zinc/76/60/35/498766035.db2.gz QVSNQZZALMCUTE-QGZVFWFLSA-N 1 1 372.494 3.040 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000332847671 498812917 /nfs/dbraw/zinc/81/29/17/498812917.db2.gz SRYFHPSJEGRLAO-ROUUACIJSA-N 1 1 372.488 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C[C@](C#N)(NC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000328656770 498891368 /nfs/dbraw/zinc/89/13/68/498891368.db2.gz ODBSEGCBCGQYRI-FOIQADDNSA-N 1 1 355.486 3.048 20 30 FGEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccnc(OCc2ccccc2)c1 ZINC000328657408 498893052 /nfs/dbraw/zinc/89/30/52/498893052.db2.gz OYHCJQPMCGRSNM-HOTGVXAUSA-N 1 1 354.454 3.231 20 30 FGEDMO C[C@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000328722291 498915210 /nfs/dbraw/zinc/91/52/10/498915210.db2.gz XLYSRPLEPNRCAF-YQQAZPJKSA-N 1 1 362.518 3.185 20 30 FGEDMO CCc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cnn1Cc1ccccc1 ZINC000328729491 498917470 /nfs/dbraw/zinc/91/74/70/498917470.db2.gz HKIHDSQQPHMMTN-UYAOXDASSA-N 1 1 352.482 3.425 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCc3c2cnn3C)C1 ZINC000328747549 498924945 /nfs/dbraw/zinc/92/49/45/498924945.db2.gz PFJFHVNOAKVXSF-AYBZRNKSSA-N 1 1 367.497 3.137 20 30 FGEDMO CC(=O)N1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 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NLOBODABDVFVKB-WBVHZDCISA-N 1 1 364.511 3.025 20 30 FGEDMO N#CCC[N@H+](CCC(=O)Nc1ccccc1Br)CC1CC1 ZINC000299189551 498990875 /nfs/dbraw/zinc/99/08/75/498990875.db2.gz CUHHUKFSJSCXLP-UHFFFAOYSA-N 1 1 350.260 3.403 20 30 FGEDMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000328946755 498994614 /nfs/dbraw/zinc/99/46/14/498994614.db2.gz GPFMTSNXJKWGLA-IPMKNSEASA-N 1 1 357.454 3.052 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000295374985 498995668 /nfs/dbraw/zinc/99/56/68/498995668.db2.gz RZUXDRZLIZWFGP-KNQAVFIVSA-N 1 1 351.494 3.441 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)c2)CCO1 ZINC000328951498 498997291 /nfs/dbraw/zinc/99/72/91/498997291.db2.gz LQXVVDRBBWUQFQ-FRQCXROJSA-N 1 1 358.482 3.369 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]3CCC(=O)[C@@H](C)C3)c2)CCO1 ZINC000328951498 498997293 /nfs/dbraw/zinc/99/72/93/498997293.db2.gz LQXVVDRBBWUQFQ-FRQCXROJSA-N 1 1 358.482 3.369 20 30 FGEDMO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328998552 499010748 /nfs/dbraw/zinc/01/07/48/499010748.db2.gz VBKXJKGIFDVWDD-CABCVRRESA-N 1 1 358.408 3.188 20 30 FGEDMO CC(C)n1cc([C@@H]2C[N@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C[C@H]2CO)cn1 ZINC000329026979 499018822 /nfs/dbraw/zinc/01/88/22/499018822.db2.gz JZOOTQJQXLAPLM-XGXHKWSGSA-N 1 1 362.518 3.007 20 30 FGEDMO CC(C)n1cc([C@@H]2C[N@@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C[C@H]2CO)cn1 ZINC000329026979 499018826 /nfs/dbraw/zinc/01/88/26/499018826.db2.gz JZOOTQJQXLAPLM-XGXHKWSGSA-N 1 1 362.518 3.007 20 30 FGEDMO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000329110427 499044345 /nfs/dbraw/zinc/04/43/45/499044345.db2.gz JJJNZOOFQWFLCF-QKNQBKEWSA-N 1 1 358.482 3.193 20 30 FGEDMO O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000329110428 499044592 /nfs/dbraw/zinc/04/45/92/499044592.db2.gz JJJNZOOFQWFLCF-SFHLNBCPSA-N 1 1 358.482 3.193 20 30 FGEDMO C[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC[N@H+](C2CC2)C1 ZINC000333655031 499050522 /nfs/dbraw/zinc/05/05/22/499050522.db2.gz FQXVJGJMHMINFL-INIZCTEOSA-N 1 1 363.509 3.404 20 30 FGEDMO CO[C@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000329140560 499053025 /nfs/dbraw/zinc/05/30/25/499053025.db2.gz FYDYUUBFZRICPK-KBRIMQKVSA-N 1 1 360.458 3.071 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)C1=O ZINC000333671986 499053957 /nfs/dbraw/zinc/05/39/57/499053957.db2.gz CVBXAEXLFMPIFJ-IRXDYDNUSA-N 1 1 371.506 3.006 20 30 FGEDMO N#Cc1ccsc1N1CC[C@H]([N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)C1=O ZINC000333671986 499053963 /nfs/dbraw/zinc/05/39/63/499053963.db2.gz CVBXAEXLFMPIFJ-IRXDYDNUSA-N 1 1 371.506 3.006 20 30 FGEDMO CCN(CC)C(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000329185771 499066237 /nfs/dbraw/zinc/06/62/37/499066237.db2.gz QHUUBLBBWBJWOY-QGZVFWFLSA-N 1 1 364.534 3.134 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CCC(O)CC3)CC2)c(C#N)c1C ZINC000295717788 499087599 /nfs/dbraw/zinc/08/75/99/499087599.db2.gz NUJNRFGBDNPYNW-AWEZNQCLSA-N 1 1 359.470 3.112 20 30 FGEDMO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000329281106 499090603 /nfs/dbraw/zinc/09/06/03/499090603.db2.gz KOLBTQDIABSAPF-MRXNPFEDSA-N 1 1 365.408 3.410 20 30 FGEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000291892391 499094723 /nfs/dbraw/zinc/09/47/23/499094723.db2.gz MLSUYKORURJXAQ-OAHLLOKOSA-N 1 1 355.438 3.189 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000329319219 499097804 /nfs/dbraw/zinc/09/78/04/499097804.db2.gz TVEWZKNMZXPETI-SFHVURJKSA-N 1 1 358.486 3.123 20 30 FGEDMO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000329340453 499103749 /nfs/dbraw/zinc/10/37/49/499103749.db2.gz OICJPOTYACZHNY-UXLLHSPISA-N 1 1 350.507 3.018 20 30 FGEDMO CC(C)[C@@H]1C[C@H](NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000329352736 499105933 /nfs/dbraw/zinc/10/59/33/499105933.db2.gz URQPDDDQXFJDIC-MTNOOBJLSA-N 1 1 351.535 3.347 20 30 FGEDMO Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000329352768 499106115 /nfs/dbraw/zinc/10/61/15/499106115.db2.gz USRQSONQJIYOII-LLVKDONJSA-N 1 1 358.408 3.212 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ncc(C#N)cc3Cl)CC2)cc1 ZINC000364099769 499114965 /nfs/dbraw/zinc/11/49/65/499114965.db2.gz FOKVLTOOKBQSAO-UHFFFAOYSA-N 1 1 351.841 3.191 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ncc(C#N)cc3Cl)CC2)cc1 ZINC000364099769 499114969 /nfs/dbraw/zinc/11/49/69/499114969.db2.gz FOKVLTOOKBQSAO-UHFFFAOYSA-N 1 1 351.841 3.191 20 30 FGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccnc(Sc4ccccn4)c3)[C@H]2C1 ZINC000329408533 499116427 /nfs/dbraw/zinc/11/64/27/499116427.db2.gz CNWIFXPCSBFHRR-HOCLYGCPSA-N 1 1 369.494 3.199 20 30 FGEDMO CN1CCC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1=O ZINC000329423371 499119103 /nfs/dbraw/zinc/11/91/03/499119103.db2.gz GBPFNPIOPYUFCC-WBVHZDCISA-N 1 1 358.486 3.071 20 30 FGEDMO 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20 30 FGEDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000414494450 499799254 /nfs/dbraw/zinc/79/92/54/499799254.db2.gz DWDFNGICAQUJFD-LJQANCHMSA-N 1 1 363.461 3.047 20 30 FGEDMO C=CCn1c(-c2ccccn2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414515803 499801563 /nfs/dbraw/zinc/80/15/63/499801563.db2.gz NACWINXSXTVPBP-GOSISDBHSA-N 1 1 374.492 3.237 20 30 FGEDMO C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414520043 499802139 /nfs/dbraw/zinc/80/21/39/499802139.db2.gz YPMPPYCFEQBNNX-QGZVFWFLSA-N 1 1 362.481 3.170 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1)c1ccccc1 ZINC000411981157 499808850 /nfs/dbraw/zinc/80/88/50/499808850.db2.gz HZQWCXGBTOOABD-NRFANRHFSA-N 1 1 363.461 3.477 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H](Oc2ccccc2)C1)c1ccccc1 ZINC000411981157 499808851 /nfs/dbraw/zinc/80/88/51/499808851.db2.gz HZQWCXGBTOOABD-NRFANRHFSA-N 1 1 363.461 3.477 20 30 FGEDMO COc1cc(OC)c2ncc(C#N)c(NCCCC[N@@H+](C)C3CC3)c2c1 ZINC000413344017 499943420 /nfs/dbraw/zinc/94/34/20/499943420.db2.gz BZQPBBZSVFOZSA-UHFFFAOYSA-N 1 1 354.454 3.410 20 30 FGEDMO C[C@H]1C[C@H]1[N@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H](C)C1 ZINC000428996343 499977358 /nfs/dbraw/zinc/97/73/58/499977358.db2.gz QWWGPWXUOCEKMR-QWQRMKEZSA-N 1 1 362.315 3.483 20 30 FGEDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cc3c(F)cccc3C#N)sc2C1 ZINC000425045638 500003976 /nfs/dbraw/zinc/00/39/76/500003976.db2.gz SSQJJAMVLXQOTM-UHFFFAOYSA-N 1 1 372.469 3.492 20 30 FGEDMO CC[N@@H+](CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N)C1CC1 ZINC000425088452 500016356 /nfs/dbraw/zinc/01/63/56/500016356.db2.gz QEIIDVNWQLYZQU-ZDUSSCGKSA-N 1 1 353.388 3.430 20 30 FGEDMO CC(C)[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416343613 500021887 /nfs/dbraw/zinc/02/18/87/500021887.db2.gz SOUMNLAJEYBOCV-XTCWOQMQSA-N 1 1 369.509 3.186 20 30 FGEDMO CC(C)[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416343613 500021890 /nfs/dbraw/zinc/02/18/90/500021890.db2.gz 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COCCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425529056 500134367 /nfs/dbraw/zinc/13/43/67/500134367.db2.gz ALTODSYPTCSOJQ-LAUBAEHRSA-N 1 1 368.477 3.180 20 30 FGEDMO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000425532305 500135004 /nfs/dbraw/zinc/13/50/04/500135004.db2.gz JDZQBQQLHNUNLQ-CYBMUJFWSA-N 1 1 368.393 3.107 20 30 FGEDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c([N+](=O)[O-])c1 ZINC000425532305 500135007 /nfs/dbraw/zinc/13/50/07/500135007.db2.gz JDZQBQQLHNUNLQ-CYBMUJFWSA-N 1 1 368.393 3.107 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)CCOc1ccccc1F ZINC000425535597 500136502 /nfs/dbraw/zinc/13/65/02/500136502.db2.gz NPIURRQWRQBKDN-INIZCTEOSA-N 1 1 369.440 3.228 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)CCOc1ccccc1F ZINC000425535597 500136505 /nfs/dbraw/zinc/13/65/05/500136505.db2.gz NPIURRQWRQBKDN-INIZCTEOSA-N 1 1 369.440 3.228 20 30 FGEDMO COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539689 500138639 /nfs/dbraw/zinc/13/86/39/500138639.db2.gz UGSAMTVIGJTUSK-MAUKXSAKSA-N 1 1 370.449 3.008 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000425545044 500140510 /nfs/dbraw/zinc/14/05/10/500140510.db2.gz UFFNTHRJCDYPNP-OAHLLOKOSA-N 1 1 365.433 3.351 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000425545044 500140513 /nfs/dbraw/zinc/14/05/13/500140513.db2.gz UFFNTHRJCDYPNP-OAHLLOKOSA-N 1 1 365.433 3.351 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000425563534 500147864 /nfs/dbraw/zinc/14/78/64/500147864.db2.gz JDVUPJMQMNOJMG-PBASOCQRSA-N 1 1 371.525 3.177 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)c1ccc(C#N)o1)[NH+]1CCCCC1 ZINC000429870488 500159206 /nfs/dbraw/zinc/15/92/06/500159206.db2.gz XOOCIUHRCNDSBF-KRWDZBQOSA-N 1 1 353.422 3.117 20 30 FGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(OC)c1O ZINC000430156972 500201647 /nfs/dbraw/zinc/20/16/47/500201647.db2.gz BXFQSRQTHGFTMU-GOSISDBHSA-N 1 1 365.433 3.049 20 30 FGEDMO CN(CC#Cc1ccc(Cl)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425931771 500213751 /nfs/dbraw/zinc/21/37/51/500213751.db2.gz MVHCXYYBORBUFK-JOCHJYFZSA-N 1 1 368.908 3.260 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](CO)[C@H]2C)cc1OC ZINC000425971154 500219110 /nfs/dbraw/zinc/21/91/10/500219110.db2.gz MVUSZNPEJMCXJJ-TZMCWYRMSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](CO)[C@H]2C)cc1OC ZINC000425971154 500219113 /nfs/dbraw/zinc/21/91/13/500219113.db2.gz MVUSZNPEJMCXJJ-TZMCWYRMSA-N 1 1 370.287 3.225 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)NCc1ccc(C#N)s1)c1ccccc1Cl ZINC000422143475 500219716 /nfs/dbraw/zinc/21/97/16/500219716.db2.gz PTPOXHZQMAQSLE-MRXNPFEDSA-N 1 1 362.886 3.375 20 30 FGEDMO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(C#N)cc2Cl)c2ccccc2)CC1 ZINC000430357721 500231033 /nfs/dbraw/zinc/23/10/33/500231033.db2.gz KEGQWNUVZKTEBO-LJQANCHMSA-N 1 1 368.868 3.139 20 30 FGEDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000430758456 500281160 /nfs/dbraw/zinc/28/11/60/500281160.db2.gz ANZJGCLZDSTQAR-JOCHJYFZSA-N 1 1 363.461 3.095 20 30 FGEDMO COCC[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H]1CCOC1 ZINC000426509329 500282413 /nfs/dbraw/zinc/28/24/13/500282413.db2.gz MHKNETCNNUSWRI-NRFANRHFSA-N 1 1 366.461 3.375 20 30 FGEDMO Cc1ncccc1OC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000419400562 500361817 /nfs/dbraw/zinc/36/18/17/500361817.db2.gz MQGBRFDQQYZUDI-GOSISDBHSA-N 1 1 364.449 3.134 20 30 FGEDMO Cn1c2cc(F)ccc2[nH+]c1NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000431421088 500375276 /nfs/dbraw/zinc/37/52/76/500375276.db2.gz WCZFYZXFQXYDCE-UHFFFAOYSA-N 1 1 365.412 3.203 20 30 FGEDMO C=CCCCS(=O)(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000427776124 500430765 /nfs/dbraw/zinc/43/07/65/500430765.db2.gz HNRYWZYKCKFUTI-MRXNPFEDSA-N 1 1 352.500 3.115 20 30 FGEDMO C=CCn1c([C@H]2CCCS2)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000424126851 500458134 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C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CC(F)(F)F)C2)c(OC)c1 ZINC000444716845 500886895 /nfs/dbraw/zinc/88/68/95/500886895.db2.gz LBVDSNYXTFQVLF-HZPDHXFCSA-N 1 1 373.415 3.438 20 30 FGEDMO C=CC[C@@H]1[N@@H+](CC(=O)NCc2ccc(OCCOC)cc2)CCCC1(C)C ZINC000444789905 500900823 /nfs/dbraw/zinc/90/08/23/500900823.db2.gz GSOHLXCVJYBKTF-FQEVSTJZSA-N 1 1 374.525 3.395 20 30 FGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1(CC)CC ZINC000434975262 500918172 /nfs/dbraw/zinc/91/81/72/500918172.db2.gz AWYXUFAJYPLCDD-RBUKOAKNSA-N 1 1 357.498 3.090 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(-c2ccncc2)n1 ZINC000434980931 500919280 /nfs/dbraw/zinc/91/92/80/500919280.db2.gz HUPVDQUUVKRLSE-FQEVSTJZSA-N 1 1 365.481 3.250 20 30 FGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592751185 506228784 /nfs/dbraw/zinc/22/87/84/506228784.db2.gz MARRXTYGTPQGFO-RHSMWYFYSA-N 1 1 350.422 3.333 20 30 FGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000449459320 501008270 /nfs/dbraw/zinc/00/82/70/501008270.db2.gz KOCCKKSHLKXOEN-HXUWFJFHSA-N 1 1 367.493 3.381 20 30 FGEDMO CCO[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000449497471 501017455 /nfs/dbraw/zinc/01/74/55/501017455.db2.gz KLZLGEYWYQZREN-QFBILLFUSA-N 1 1 353.470 3.106 20 30 FGEDMO CC[N@H+]1CCCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440652242 501034659 /nfs/dbraw/zinc/03/46/59/501034659.db2.gz MABBACFWOMGBJN-UHFFFAOYSA-N 1 1 359.271 3.401 20 30 FGEDMO N#CCCCn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000435886669 501041629 /nfs/dbraw/zinc/04/16/29/501041629.db2.gz AFCUAYONYHGBNV-QUCCMNQESA-N 1 1 350.466 3.302 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1OCCCC#N ZINC000449667041 501055597 /nfs/dbraw/zinc/05/55/97/501055597.db2.gz FJNUYTYCEQVPHV-WMLDXEAASA-N 1 1 372.387 3.123 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)[C@@H](C)O1 ZINC000446067949 501068558 /nfs/dbraw/zinc/06/85/58/501068558.db2.gz GQWSDTXGLHWEPX-HZSPNIEDSA-N 1 1 361.511 3.325 20 30 FGEDMO Cc1c(C#N)c(N2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)nc2ccccc12 ZINC000450415590 501116143 /nfs/dbraw/zinc/11/61/43/501116143.db2.gz CQQHAGMQHBFHPJ-INIZCTEOSA-N 1 1 363.509 3.020 20 30 FGEDMO Cc1c(C#N)c(N2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)nc2ccccc12 ZINC000450415590 501116146 /nfs/dbraw/zinc/11/61/46/501116146.db2.gz CQQHAGMQHBFHPJ-INIZCTEOSA-N 1 1 363.509 3.020 20 30 FGEDMO Cn1c(C#N)ccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450145018 501193055 /nfs/dbraw/zinc/19/30/55/501193055.db2.gz HZGFIOQXBAKNAK-QUCCMNQESA-N 1 1 362.477 3.023 20 30 FGEDMO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000442164479 501203276 /nfs/dbraw/zinc/20/32/76/501203276.db2.gz CWJCGHWHUSKUHR-LBPRGKRZSA-N 1 1 370.375 3.310 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1Cl ZINC000451054112 501242353 /nfs/dbraw/zinc/24/23/53/501242353.db2.gz HHNMFXHCBWULRN-HNNXBMFYSA-N 1 1 371.824 3.047 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1Cl ZINC000451054112 501242354 /nfs/dbraw/zinc/24/23/54/501242354.db2.gz HHNMFXHCBWULRN-HNNXBMFYSA-N 1 1 371.824 3.047 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000455268213 501259593 /nfs/dbraw/zinc/25/95/93/501259593.db2.gz CGKPGNIYBGTGSL-XSYGEPLQSA-N 1 1 354.498 3.373 20 30 FGEDMO COc1c(C)cnc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1C ZINC000451375260 501278903 /nfs/dbraw/zinc/27/89/03/501278903.db2.gz LPWHCYULESXXJX-UHFFFAOYSA-N 1 1 352.438 3.039 20 30 FGEDMO C=CCC[C@H](CO)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000457663182 501281114 /nfs/dbraw/zinc/28/11/14/501281114.db2.gz UKTJPMZABAKZID-YLJYHZDGSA-N 1 1 359.514 3.045 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1Cl ZINC000451411504 501286897 /nfs/dbraw/zinc/28/68/97/501286897.db2.gz DXLWVMMAEROHQL-KBAYOESNSA-N 1 1 361.873 3.166 20 30 FGEDMO C=CCC1(CNC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCC1 ZINC000455486589 501315952 /nfs/dbraw/zinc/31/59/52/501315952.db2.gz ZRDHKPXOJCLROU-YOFSQIOKSA-N 1 1 374.573 3.075 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451569507 501327091 /nfs/dbraw/zinc/32/70/91/501327091.db2.gz OKPSABCIWNLOCI-HNNXBMFYSA-N 1 1 364.287 3.001 20 30 FGEDMO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000453425725 501329041 /nfs/dbraw/zinc/32/90/41/501329041.db2.gz OTASZEXASYKLFL-RDJZCZTQSA-N 1 1 373.526 3.260 20 30 FGEDMO C=CCn1c(C2CC2)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000453445643 501333439 /nfs/dbraw/zinc/33/34/39/501333439.db2.gz NNOYHYRJKVDGIM-KRWDZBQOSA-N 1 1 351.498 3.300 20 30 FGEDMO C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000453446110 501334213 /nfs/dbraw/zinc/33/42/13/501334213.db2.gz VXKLYFYVSNJZGP-CEXWTWQISA-N 1 1 373.545 3.406 20 30 FGEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453448434 501334723 /nfs/dbraw/zinc/33/47/23/501334723.db2.gz CDWNWJWZDVPHCA-INIZCTEOSA-N 1 1 354.502 3.160 20 30 FGEDMO C=CCn1c(-c2ccccc2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000453450195 501335009 /nfs/dbraw/zinc/33/50/09/501335009.db2.gz QTZBNWMHQLMBAV-JENIJYKNSA-N 1 1 351.498 3.298 20 30 FGEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453451534 501335786 /nfs/dbraw/zinc/33/57/86/501335786.db2.gz KEPMFMUXDOYTKK-KRWDZBQOSA-N 1 1 368.529 3.170 20 30 FGEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000453454072 501336171 /nfs/dbraw/zinc/33/61/71/501336171.db2.gz POCIMIHQKOQJLT-KRWDZBQOSA-N 1 1 359.543 3.425 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000453459949 501338104 /nfs/dbraw/zinc/33/81/04/501338104.db2.gz DCAQTEMNKIZGBT-KURKYZTESA-N 1 1 361.534 3.262 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451697964 501353556 /nfs/dbraw/zinc/35/35/56/501353556.db2.gz CJFCSYJORULKAM-IXDOHACOSA-N 1 1 360.523 3.386 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451697964 501353557 /nfs/dbraw/zinc/35/35/57/501353557.db2.gz CJFCSYJORULKAM-IXDOHACOSA-N 1 1 360.523 3.386 20 30 FGEDMO CC[C@@H]1C[N@@H+](CC)CCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000451727808 501361348 /nfs/dbraw/zinc/36/13/48/501361348.db2.gz BXINHUKXVHGRKR-DLBZAZTESA-N 1 1 374.554 3.293 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451806366 501376331 /nfs/dbraw/zinc/37/63/31/501376331.db2.gz FNXVXLAYHWSZJW-CVEARBPZSA-N 1 1 350.528 3.134 20 30 FGEDMO CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000455783830 501385436 /nfs/dbraw/zinc/38/54/36/501385436.db2.gz AOXKQLLXCFVJJD-IRXDYDNUSA-N 1 1 356.470 3.484 20 30 FGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)n1 ZINC000602661561 506250342 /nfs/dbraw/zinc/25/03/42/506250342.db2.gz FIENXKPUVHMJNI-INIZCTEOSA-N 1 1 350.470 3.499 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451894214 501394809 /nfs/dbraw/zinc/39/48/09/501394809.db2.gz CRAONULHFDKYIG-UZLBHIALSA-N 1 1 373.522 3.379 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451894214 501394812 /nfs/dbraw/zinc/39/48/12/501394812.db2.gz CRAONULHFDKYIG-UZLBHIALSA-N 1 1 373.522 3.379 20 30 FGEDMO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)cc1 ZINC000451928593 501403013 /nfs/dbraw/zinc/40/30/13/501403013.db2.gz SDCBEERRIGZCPR-FQEVSTJZSA-N 1 1 369.415 3.318 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000451958841 501408211 /nfs/dbraw/zinc/40/82/11/501408211.db2.gz ABDWOUWJFMBDDL-JXFKEZNVSA-N 1 1 358.388 3.413 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000451958841 501408212 /nfs/dbraw/zinc/40/82/12/501408212.db2.gz ABDWOUWJFMBDDL-JXFKEZNVSA-N 1 1 358.388 3.413 20 30 FGEDMO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000451974896 501411608 /nfs/dbraw/zinc/41/16/08/501411608.db2.gz UGDXSCQCTPFMQC-HXUWFJFHSA-N 1 1 351.425 3.459 20 30 FGEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000451974896 501411610 /nfs/dbraw/zinc/41/16/10/501411610.db2.gz UGDXSCQCTPFMQC-HXUWFJFHSA-N 1 1 351.425 3.459 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000452112721 501437394 /nfs/dbraw/zinc/43/73/94/501437394.db2.gz GWABJMZXIMLRIL-IAGOWNOFSA-N 1 1 374.554 3.434 20 30 FGEDMO CCC[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1CCOC ZINC000456021573 501439779 /nfs/dbraw/zinc/43/97/79/501439779.db2.gz RTJNBOMVHNPICH-FQEVSTJZSA-N 1 1 371.525 3.086 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000452128794 501442229 /nfs/dbraw/zinc/44/22/29/501442229.db2.gz YLUJULMMJIOQRM-RTBURBONSA-N 1 1 357.498 3.033 20 30 FGEDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000456536204 501544491 /nfs/dbraw/zinc/54/44/91/501544491.db2.gz VFFRYGBNDNZZBK-MRXNPFEDSA-N 1 1 367.449 3.287 20 30 FGEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459395723 501646220 /nfs/dbraw/zinc/64/62/20/501646220.db2.gz 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CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CNc1cccc(C#N)c1 ZINC000470588489 501736953 /nfs/dbraw/zinc/73/69/53/501736953.db2.gz RHTHRUOAQJLAHG-OAQYLSRUSA-N 1 1 364.493 3.243 20 30 FGEDMO C=CCSCCNC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460142701 501739126 /nfs/dbraw/zinc/73/91/26/501739126.db2.gz JFKPCGWTZRZJKT-RTBURBONSA-N 1 1 359.539 3.069 20 30 FGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000481416776 501769050 /nfs/dbraw/zinc/76/90/50/501769050.db2.gz UVGOZERVULHKOI-KSSFIOAISA-N 1 1 360.502 3.072 20 30 FGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC ZINC000481416772 501769292 /nfs/dbraw/zinc/76/92/92/501769292.db2.gz UVGOZERVULHKOI-KBXCAEBGSA-N 1 1 360.502 3.072 20 30 FGEDMO C=CCC[N@H+](C)Cc1cc(I)c(OC)c(OC)c1 ZINC000467386844 501783214 /nfs/dbraw/zinc/78/32/14/501783214.db2.gz BEECKCYYYPNMGA-UHFFFAOYSA-N 1 1 361.223 3.316 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000467520716 501815042 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C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468247719 502004753 /nfs/dbraw/zinc/00/47/53/502004753.db2.gz UKAOUDLPRQZWBP-HNNXBMFYSA-N 1 1 352.438 3.208 20 30 FGEDMO CCO[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000471485401 502041482 /nfs/dbraw/zinc/04/14/82/502041482.db2.gz XAIXNKAXFMVNPT-HXUWFJFHSA-N 1 1 357.498 3.044 20 30 FGEDMO Cc1nc(SCC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c(C#N)c(C)c1C ZINC000468483539 502075945 /nfs/dbraw/zinc/07/59/45/502075945.db2.gz LFVLJNPAJPPIFU-QGZVFWFLSA-N 1 1 374.554 3.207 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000471590687 502078494 /nfs/dbraw/zinc/07/84/94/502078494.db2.gz NTDZUSQWADGYNT-KDURUIRLSA-N 1 1 359.514 3.274 20 30 FGEDMO N#Cc1cccc(-c2cc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)on2)c1 ZINC000468499084 502081624 /nfs/dbraw/zinc/08/16/24/502081624.db2.gz UYXGHTZEPIQIQB-IBGZPJMESA-N 1 1 372.428 3.218 20 30 FGEDMO C=CCN(CC[N@@H+](C)Cc1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000468512280 502087678 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COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)NC3(C#N)CCC3)ccc2c1 ZINC000468803124 502188036 /nfs/dbraw/zinc/18/80/36/502188036.db2.gz CXEJOAQEOWSOSH-HNNXBMFYSA-N 1 1 351.450 3.231 20 30 FGEDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)cc1 ZINC000461964528 502255097 /nfs/dbraw/zinc/25/50/97/502255097.db2.gz KKGFNMCCFXBZKC-WOJBJXKFSA-N 1 1 354.498 3.329 20 30 FGEDMO Cc1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)ccc1C#N ZINC000486810502 502272300 /nfs/dbraw/zinc/27/23/00/502272300.db2.gz RSRHBDYFYUYDCK-QFIPXVFZSA-N 1 1 359.473 3.416 20 30 FGEDMO Cc1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)ccc1C#N ZINC000486810502 502272307 /nfs/dbraw/zinc/27/23/07/502272307.db2.gz RSRHBDYFYUYDCK-QFIPXVFZSA-N 1 1 359.473 3.416 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000475748188 502279567 /nfs/dbraw/zinc/27/95/67/502279567.db2.gz MNAUUKLPNPZFJA-UWJYYQICSA-N 1 1 373.472 3.353 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)CSc2ccc(C#N)cc2)c1 ZINC000486915847 502303020 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C[C@@H](c1cn(-c2ccccc2)nn1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000472766916 502435330 /nfs/dbraw/zinc/43/53/30/502435330.db2.gz GJJXKOJWKBUOGF-SFHVURJKSA-N 1 1 372.476 3.018 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000469529557 502453989 /nfs/dbraw/zinc/45/39/89/502453989.db2.gz RHCMHYLBBNUILH-MQSCRBSSSA-N 1 1 368.521 3.482 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000466033999 502460957 /nfs/dbraw/zinc/46/09/57/502460957.db2.gz DRANXCSINANOGW-RISCZKNCSA-N 1 1 370.375 3.104 20 30 FGEDMO C=CC[N@@H+](Cc1cc(O)cc(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000473142212 502526306 /nfs/dbraw/zinc/52/63/06/502526306.db2.gz TWOCQCKLVVVBJN-AWEZNQCLSA-N 1 1 353.401 3.256 20 30 FGEDMO COc1cc(OC)cc(N2CCC[N@@H+](CC#Cc3ccccc3)CC2)c1 ZINC000483957010 502532206 /nfs/dbraw/zinc/53/22/06/502532206.db2.gz NHBRWXYPAUUIMA-UHFFFAOYSA-N 1 1 350.462 3.268 20 30 FGEDMO CC(C)[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC[N@H+]1C ZINC000488031776 502605110 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FGEDMO C=CCn1c(SC[C@@H]2CC[N@H+](C)C2)nc2sc3c(c2c1=O)CCC3 ZINC000473780203 502705361 /nfs/dbraw/zinc/70/53/61/502705361.db2.gz IOEAKENAAVJWJO-GFCCVEGCSA-N 1 1 361.536 3.177 20 30 FGEDMO C[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C(C)(C)C ZINC000602874457 506333326 /nfs/dbraw/zinc/33/33/26/506333326.db2.gz QLLXUPCFJVMSEZ-KRWDZBQOSA-N 1 1 374.554 3.099 20 30 FGEDMO CN1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C(C)(C)C ZINC000602874457 506333335 /nfs/dbraw/zinc/33/33/35/506333335.db2.gz QLLXUPCFJVMSEZ-KRWDZBQOSA-N 1 1 374.554 3.099 20 30 FGEDMO CN1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C(C)(C)C ZINC000602874457 506333340 /nfs/dbraw/zinc/33/33/40/506333340.db2.gz QLLXUPCFJVMSEZ-KRWDZBQOSA-N 1 1 374.554 3.099 20 30 FGEDMO C[NH+]1CCC2(CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)CC1 ZINC000602877039 506334051 /nfs/dbraw/zinc/33/40/51/506334051.db2.gz KKTSPWUHQMZHSL-UHFFFAOYSA-N 1 1 374.916 3.004 20 30 FGEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@@H]1CCOC1 ZINC000463430165 502797865 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FGEDMO C=CCn1c(C2CCC2)nnc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000508463144 503498493 /nfs/dbraw/zinc/49/84/93/503498493.db2.gz DQCVKPZTUINCEG-UHFFFAOYSA-N 1 1 367.497 3.062 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)CCCc2ccccc2Br)C1=O ZINC000499939338 503516262 /nfs/dbraw/zinc/51/62/62/503516262.db2.gz LHHNSLVCKSTVTG-INIZCTEOSA-N 1 1 351.288 3.100 20 30 FGEDMO CCc1nc(C)c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)o1 ZINC000494339492 503527763 /nfs/dbraw/zinc/52/77/63/503527763.db2.gz FMILQZIZTRVLBW-UHFFFAOYSA-N 1 1 350.426 3.007 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Br)cc3cccnc32)C1=O ZINC000500001131 503531033 /nfs/dbraw/zinc/53/10/33/503531033.db2.gz ZELGRYZFUQTXJX-INIZCTEOSA-N 1 1 374.282 3.216 20 30 FGEDMO N#Cc1ccc(I)c(OCC[NH+]2CCCCC2)c1 ZINC000500001228 503531113 /nfs/dbraw/zinc/53/11/13/503531113.db2.gz ZRCMKYDQRHUKMA-UHFFFAOYSA-N 1 1 356.207 3.028 20 30 FGEDMO COc1cccc(C2(F)CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1 ZINC000500158605 503567109 /nfs/dbraw/zinc/56/71/09/503567109.db2.gz 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CC[C@@H](NC(=O)C(C#N)(CC)CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000599672520 506569771 /nfs/dbraw/zinc/56/97/71/506569771.db2.gz DXMNUPMHUQJHDL-RTBURBONSA-N 1 1 357.498 3.112 20 30 FGEDMO C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000593364879 506577442 /nfs/dbraw/zinc/57/74/42/506577442.db2.gz IUBNDLZTJXAVTO-UTKZUKDTSA-N 1 1 362.477 3.188 20 30 FGEDMO C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)c1cccc(C#N)c1 ZINC000593364879 506577448 /nfs/dbraw/zinc/57/74/48/506577448.db2.gz IUBNDLZTJXAVTO-UTKZUKDTSA-N 1 1 362.477 3.188 20 30 FGEDMO N#Cc1cccc2c1CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C2 ZINC000593366550 506579150 /nfs/dbraw/zinc/57/91/50/506579150.db2.gz RZYLKXNGAHBCEA-HXUWFJFHSA-N 1 1 363.486 3.191 20 30 FGEDMO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686839 506581141 /nfs/dbraw/zinc/58/11/41/506581141.db2.gz ZWVYTMYJHGNIMH-QGZVFWFLSA-N 1 1 359.473 3.084 20 30 FGEDMO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686839 506581143 /nfs/dbraw/zinc/58/11/43/506581143.db2.gz ZWVYTMYJHGNIMH-QGZVFWFLSA-N 1 1 359.473 3.084 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000603662290 506589076 /nfs/dbraw/zinc/58/90/76/506589076.db2.gz MJQDDOJVOWAMRP-UHFFFAOYSA-N 1 1 357.461 3.456 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000593386829 506591350 /nfs/dbraw/zinc/59/13/50/506591350.db2.gz SISFSOPJBQXMLT-IRXDYDNUSA-N 1 1 360.889 3.468 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)NCC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000593386829 506591357 /nfs/dbraw/zinc/59/13/57/506591357.db2.gz SISFSOPJBQXMLT-IRXDYDNUSA-N 1 1 360.889 3.468 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)N2Cc3cccc(C#N)c3C2)CC[N@H+]1Cc1ccccc1 ZINC000593405592 506604621 /nfs/dbraw/zinc/60/46/21/506604621.db2.gz WLKSSYNDOUGCTA-KKSFZXQISA-N 1 1 360.461 3.246 20 30 FGEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000612563852 506628026 /nfs/dbraw/zinc/62/80/26/506628026.db2.gz KFOLGLODTMKDIA-GJZGRUSLSA-N 1 1 365.437 3.302 20 30 FGEDMO Cc1cc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c(C#N)cc1N(C)C ZINC000599786606 506636448 /nfs/dbraw/zinc/63/64/48/506636448.db2.gz FODGCOHYAZEVOQ-QGZVFWFLSA-N 1 1 355.486 3.071 20 30 FGEDMO COCC[N@H+](Cc1ccc(C)cc1C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000603895217 506651405 /nfs/dbraw/zinc/65/14/05/506651405.db2.gz YUBZCWDTXPBDIW-NRFANRHFSA-N 1 1 368.477 3.063 20 30 FGEDMO COc1cc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c(F)cc1C#N ZINC000599817822 506655171 /nfs/dbraw/zinc/65/51/71/506655171.db2.gz NATXQWLKXABOFN-UHFFFAOYSA-N 1 1 362.449 3.290 20 30 FGEDMO Cc1nsc(N2CCC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CC2)n1 ZINC000597015169 506732524 /nfs/dbraw/zinc/73/25/24/506732524.db2.gz WSVPGXUGOJUTKD-UHFFFAOYSA-N 1 1 353.495 3.114 20 30 FGEDMO N#Cc1cccc(CN2CCC([NH2+]Cc3ccn(-c4ccccc4)n3)CC2)c1 ZINC000593692326 506734581 /nfs/dbraw/zinc/73/45/81/506734581.db2.gz BIXDXBDIGLWYPK-UHFFFAOYSA-N 1 1 371.488 3.498 20 30 FGEDMO C[C@H](NC1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cc2n(n1)CCCC2 ZINC000593725125 506748799 /nfs/dbraw/zinc/74/87/99/506748799.db2.gz KTISJPOENASGGQ-KRWDZBQOSA-N 1 1 363.509 3.406 20 30 FGEDMO COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000597128697 506791528 /nfs/dbraw/zinc/79/15/28/506791528.db2.gz DAAQTGPICYKQPO-OXQOHEQNSA-N 1 1 367.449 3.020 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OC1CC1 ZINC000600160183 506812766 /nfs/dbraw/zinc/81/27/66/506812766.db2.gz CAIMOYNZBTXXJB-GOSISDBHSA-N 1 1 365.433 3.156 20 30 FGEDMO CC(C)C[N@H+](Cc1csc(CC(=O)N(C)C)n1)Cc1ccc(C#N)cc1 ZINC000609203775 506813575 /nfs/dbraw/zinc/81/35/75/506813575.db2.gz SPRHIVQQTAMCLL-UHFFFAOYSA-N 1 1 370.522 3.304 20 30 FGEDMO CC(C)C[N@@H+](Cc1csc(CC(=O)N(C)C)n1)Cc1ccc(C#N)cc1 ZINC000609203775 506813583 /nfs/dbraw/zinc/81/35/83/506813583.db2.gz SPRHIVQQTAMCLL-UHFFFAOYSA-N 1 1 370.522 3.304 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000593987876 506867533 /nfs/dbraw/zinc/86/75/33/506867533.db2.gz XGNVUFKJTMJPIL-MRXNPFEDSA-N 1 1 353.441 3.124 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000594017414 506884954 /nfs/dbraw/zinc/88/49/54/506884954.db2.gz ZBKSWGGHKGNRMM-HZPDHXFCSA-N 1 1 361.511 3.256 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1CO ZINC000594017414 506884959 /nfs/dbraw/zinc/88/49/59/506884959.db2.gz ZBKSWGGHKGNRMM-HZPDHXFCSA-N 1 1 361.511 3.256 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027636 506891643 /nfs/dbraw/zinc/89/16/43/506891643.db2.gz XTRJLIYTRFYWEP-UZLBHIALSA-N 1 1 373.472 3.494 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027636 506891648 /nfs/dbraw/zinc/89/16/48/506891648.db2.gz XTRJLIYTRFYWEP-UZLBHIALSA-N 1 1 373.472 3.494 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](CCO)CC(C)(C)C ZINC000609483545 506895004 /nfs/dbraw/zinc/89/50/04/506895004.db2.gz YMGSPHGKDBJBSQ-HNNXBMFYSA-N 1 1 363.527 3.217 20 30 FGEDMO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000609486131 506896722 /nfs/dbraw/zinc/89/67/22/506896722.db2.gz DJYCDTHWSJMCCF-QFIPXVFZSA-N 1 1 364.493 3.326 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000609540483 506914880 /nfs/dbraw/zinc/91/48/80/506914880.db2.gz ZRHSKPWZRUJBJP-QGZVFWFLSA-N 1 1 367.449 3.414 20 30 FGEDMO N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594066224 506917247 /nfs/dbraw/zinc/91/72/47/506917247.db2.gz JLCXXNYMQUHRQU-ZFWWWQNUSA-N 1 1 364.396 3.298 20 30 FGEDMO CC(C)O[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000583691290 506920786 /nfs/dbraw/zinc/92/07/86/506920786.db2.gz JZPQRRNSOXFKSP-CQSZACIVSA-N 1 1 361.511 3.326 20 30 FGEDMO C[C@H]1CCC[C@H](OCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609576777 506929177 /nfs/dbraw/zinc/92/91/77/506929177.db2.gz QQHVFMUKEXHLDC-RXVVDRJESA-N 1 1 369.509 3.188 20 30 FGEDMO C[C@H]1CCC[C@H](OCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609576777 506929183 /nfs/dbraw/zinc/92/91/83/506929183.db2.gz QQHVFMUKEXHLDC-RXVVDRJESA-N 1 1 369.509 3.188 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000590750947 506937943 /nfs/dbraw/zinc/93/79/43/506937943.db2.gz MDPJXSQYBUGGBG-JQHSSLGASA-N 1 1 361.873 3.166 20 30 FGEDMO N#Cc1ccc2c(c1)CN(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C2 ZINC000594136920 506966967 /nfs/dbraw/zinc/96/69/67/506966967.db2.gz LOMKKSGTNLIQNJ-HXUWFJFHSA-N 1 1 363.486 3.191 20 30 FGEDMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCS[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000609800364 507006775 /nfs/dbraw/zinc/00/67/75/507006775.db2.gz DGPBIOBTJIWURM-WOJBJXKFSA-N 1 1 363.486 3.454 20 30 FGEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCS[C@@H](c4ccccc4)C3)C2=O)cc1 ZINC000609800364 507006781 /nfs/dbraw/zinc/00/67/81/507006781.db2.gz DGPBIOBTJIWURM-WOJBJXKFSA-N 1 1 363.486 3.454 20 30 FGEDMO N#CCCCn1cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c2ccccc21 ZINC000597582242 507018459 /nfs/dbraw/zinc/01/84/59/507018459.db2.gz SRLRKKRTQWPAQT-ICSRJNTNSA-N 1 1 368.456 3.203 20 30 FGEDMO Cc1cc(CNC(=O)c2ccc(Cl)c(C#N)c2)cc(N2CCCC2)[nH+]1 ZINC000583904101 507040520 /nfs/dbraw/zinc/04/05/20/507040520.db2.gz BOBMXJPOUJETIL-UHFFFAOYSA-N 1 1 354.841 3.445 20 30 FGEDMO COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3C)CC2)s1 ZINC000590964511 507064537 /nfs/dbraw/zinc/06/45/37/507064537.db2.gz FDCWIBXGULYARA-UHFFFAOYSA-N 1 1 355.463 3.037 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3ccco3)C2)c(OC)c1 ZINC000600684396 507064846 /nfs/dbraw/zinc/06/48/46/507064846.db2.gz FQTCLGIDCLPIQF-QZTJIDSGSA-N 1 1 357.450 3.246 20 30 FGEDMO C=C[C@H](O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000613410802 507074714 /nfs/dbraw/zinc/07/47/14/507074714.db2.gz DXJUAYKBPMIVHQ-PMPSAXMXSA-N 1 1 354.853 3.056 20 30 FGEDMO C=C[C@H](O)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000613410802 507074716 /nfs/dbraw/zinc/07/47/16/507074716.db2.gz DXJUAYKBPMIVHQ-PMPSAXMXSA-N 1 1 354.853 3.056 20 30 FGEDMO CCOC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)c1C ZINC000591023002 507082240 /nfs/dbraw/zinc/08/22/40/507082240.db2.gz QVUFGCLRRNYARU-ZDUSSCGKSA-N 1 1 353.422 3.213 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000594356395 507091473 /nfs/dbraw/zinc/09/14/73/507091473.db2.gz PWUIDCLWKBGFLB-PGRDOPGGSA-N 1 1 361.489 3.122 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000594356395 507091478 /nfs/dbraw/zinc/09/14/78/507091478.db2.gz PWUIDCLWKBGFLB-PGRDOPGGSA-N 1 1 361.489 3.122 20 30 FGEDMO COc1ccc(C)cc1C[NH+]1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000610129266 507108960 /nfs/dbraw/zinc/10/89/60/507108960.db2.gz UIRVQVCRJDSJPO-UHFFFAOYSA-N 1 1 373.460 3.141 20 30 FGEDMO C[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000610162722 507121355 /nfs/dbraw/zinc/12/13/55/507121355.db2.gz VBMMKCSKGGXHFG-UZLBHIALSA-N 1 1 359.433 3.113 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000610216532 507143805 /nfs/dbraw/zinc/14/38/05/507143805.db2.gz NBRBPVDTYSKDBX-NHCUHLMSSA-N 1 1 350.462 3.057 20 30 FGEDMO N#Cc1ccc(CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000597892667 507157509 /nfs/dbraw/zinc/15/75/09/507157509.db2.gz ZSZVYDBWZFXLSS-HXUWFJFHSA-N 1 1 365.502 3.007 20 30 FGEDMO Cc1cccc2c1ncc(C#N)c2NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610246580 507158415 /nfs/dbraw/zinc/15/84/15/507158415.db2.gz MKJPCOIINJNEFQ-HXUWFJFHSA-N 1 1 372.472 3.150 20 30 FGEDMO Cc1cccc2c1ncc(C#N)c2NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610246580 507158423 /nfs/dbraw/zinc/15/84/23/507158423.db2.gz MKJPCOIINJNEFQ-HXUWFJFHSA-N 1 1 372.472 3.150 20 30 FGEDMO N#CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000597904741 507164871 /nfs/dbraw/zinc/16/48/71/507164871.db2.gz STQZFYLNYOFBDN-ROUUACIJSA-N 1 1 361.436 3.296 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000597925866 507177933 /nfs/dbraw/zinc/17/79/33/507177933.db2.gz XLKYPISTMCKCEC-KRWDZBQOSA-N 1 1 367.449 3.333 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[N@H+]1C ZINC000610321432 507193291 /nfs/dbraw/zinc/19/32/91/507193291.db2.gz UJSNHQRSGCZBSG-GOEBONIOSA-N 1 1 365.437 3.350 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000591322941 507201140 /nfs/dbraw/zinc/20/11/40/507201140.db2.gz WLSQEQKJNPZKQU-LEWJYISDSA-N 1 1 360.461 3.111 20 30 FGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000591322941 507201146 /nfs/dbraw/zinc/20/11/46/507201146.db2.gz WLSQEQKJNPZKQU-LEWJYISDSA-N 1 1 360.461 3.111 20 30 FGEDMO C[C@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000610347765 507205927 /nfs/dbraw/zinc/20/59/27/507205927.db2.gz WHCVLXKSROVYJY-KRWDZBQOSA-N 1 1 362.477 3.367 20 30 FGEDMO N#CC1(CNC(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000591393988 507233585 /nfs/dbraw/zinc/23/35/85/507233585.db2.gz WQZJLPIAAJICPC-XUVXKRRUSA-N 1 1 366.509 3.280 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C3CCOCC3)sc2C1 ZINC000584277901 507253689 /nfs/dbraw/zinc/25/36/89/507253689.db2.gz BBMUJJLXCDQOPH-ZDUSSCGKSA-N 1 1 361.511 3.184 20 30 FGEDMO CC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000610538444 507280381 /nfs/dbraw/zinc/28/03/81/507280381.db2.gz QWKDTBJUQCJYMH-OXJNMPFZSA-N 1 1 354.450 3.281 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@]2(C#N)CC23CCCC3)C1 ZINC000598194740 507306607 /nfs/dbraw/zinc/30/66/07/507306607.db2.gz HJOJRGBXJAHKJJ-SIKLNZKXSA-N 1 1 351.494 3.236 20 30 FGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610585892 507306692 /nfs/dbraw/zinc/30/66/92/507306692.db2.gz WCUSEWGJYPBLCE-AGHHOFFYSA-N 1 1 350.462 3.370 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H](n2ccnc2)C1)c1cccc(Cl)c1 ZINC000610735427 507371167 /nfs/dbraw/zinc/37/11/67/507371167.db2.gz FDLXZRDSMMYLQM-SFHVURJKSA-N 1 1 371.872 3.120 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@H](n2ccnc2)C1)c1cccc(Cl)c1 ZINC000610735427 507371175 /nfs/dbraw/zinc/37/11/75/507371175.db2.gz FDLXZRDSMMYLQM-SFHVURJKSA-N 1 1 371.872 3.120 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000610738802 507371291 /nfs/dbraw/zinc/37/12/91/507371291.db2.gz FEHHVROQUJUELP-INIZCTEOSA-N 1 1 361.445 3.407 20 30 FGEDMO CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(c3ncc4c(c3C#N)CCC4)C2)o1 ZINC000591821352 507378083 /nfs/dbraw/zinc/37/80/83/507378083.db2.gz IKIWOCYPUICQPN-MRXNPFEDSA-N 1 1 365.481 3.264 20 30 FGEDMO CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(c3ncc4c(c3C#N)CCC4)C2)o1 ZINC000591821352 507378093 /nfs/dbraw/zinc/37/80/93/507378093.db2.gz IKIWOCYPUICQPN-MRXNPFEDSA-N 1 1 365.481 3.264 20 30 FGEDMO CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000598344057 507384915 /nfs/dbraw/zinc/38/49/15/507384915.db2.gz ZAKQWGGWRHJWOV-HXUWFJFHSA-N 1 1 363.461 3.351 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1OC ZINC000584547550 507404147 /nfs/dbraw/zinc/40/41/47/507404147.db2.gz HHBSCUKKFODJRU-JFIYKMOQSA-N 1 1 358.482 3.062 20 30 FGEDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@](C)(C#N)C2)C1 ZINC000598418283 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FGEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)Cc1cccc(Br)c1 ZINC000818612268 727316715 /nfs/dbraw/zinc/31/67/15/727316715.db2.gz RNJBKBLJSDZJHZ-INIZCTEOSA-N 1 1 365.315 3.089 20 30 FGEDMO N#CCCC[C@H]([NH3+])c1nc(CC(=O)Nc2ccc(Cl)cc2Cl)no1 ZINC000823037977 729246379 /nfs/dbraw/zinc/24/63/79/729246379.db2.gz ZFGHNMCHRDSJES-NSHDSACASA-N 1 1 368.224 3.251 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)cc1Cl ZINC000824451448 729339838 /nfs/dbraw/zinc/33/98/38/729339838.db2.gz XJYSNGHUGXDCPG-HNNXBMFYSA-N 1 1 350.846 3.179 20 30 FGEDMO C#CC[C@H]1CCC[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000829805573 729513559 /nfs/dbraw/zinc/51/35/59/729513559.db2.gz VGJCGZFAMCFZOH-INIZCTEOSA-N 1 1 353.491 3.308 20 30 FGEDMO C#CC[C@H]1CCC[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000829805573 729513562 /nfs/dbraw/zinc/51/35/62/729513562.db2.gz VGJCGZFAMCFZOH-INIZCTEOSA-N 1 1 353.491 3.308 20 30 FGEDMO C#CC1CC[NH+](Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)CC1 ZINC000830338073 729551448 /nfs/dbraw/zinc/55/14/48/729551448.db2.gz QHQUQOXGNAIGLX-UHFFFAOYSA-N 1 1 353.491 3.478 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257563 729699997 /nfs/dbraw/zinc/69/99/97/729699997.db2.gz JRVWZUZOGVYCMR-KURKYZTESA-N 1 1 352.519 3.283 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000838624111 730131814 /nfs/dbraw/zinc/13/18/14/730131814.db2.gz HMAQHVKIFNLONA-UHFFFAOYSA-N 1 1 357.376 3.013 20 30 FGEDMO C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365773 730708148 /nfs/dbraw/zinc/70/81/48/730708148.db2.gz DUZHMDXDDQHZKS-DOMZBBRYSA-N 1 1 354.435 3.396 20 30 FGEDMO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844365773 730708153 /nfs/dbraw/zinc/70/81/53/730708153.db2.gz DUZHMDXDDQHZKS-DOMZBBRYSA-N 1 1 354.435 3.396 20 30 FGEDMO C=C[C@H](C)ONC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000845621986 730871976 /nfs/dbraw/zinc/87/19/76/730871976.db2.gz CRAMDLOXLRSNRR-JCURWCKSSA-N 1 1 353.413 3.294 20 30 FGEDMO C=C[C@H](C)ONC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000845621986 730871980 /nfs/dbraw/zinc/87/19/80/730871980.db2.gz CRAMDLOXLRSNRR-JCURWCKSSA-N 1 1 353.413 3.294 20 30 FGEDMO COc1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000846006276 730917736 /nfs/dbraw/zinc/91/77/36/730917736.db2.gz JXWUJBCUEOBSDC-QGZVFWFLSA-N 1 1 360.841 3.394 20 30 FGEDMO Cc1nn(C)c(Cl)c1CNC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000846107247 730929335 /nfs/dbraw/zinc/92/93/35/730929335.db2.gz OGKMMSRTNUYUHP-UHFFFAOYSA-N 1 1 357.889 3.008 20 30 FGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)C1 ZINC000847026648 731008591 /nfs/dbraw/zinc/00/85/91/731008591.db2.gz QJBYBTHAIUEDQE-ZIAGYGMSSA-N 1 1 354.372 3.108 20 30 FGEDMO C#CCOCCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000851863273 731511358 /nfs/dbraw/zinc/51/13/58/731511358.db2.gz MIALAJWVDZGKGP-UHFFFAOYSA-N 1 1 354.416 3.251 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000853520644 731717189 /nfs/dbraw/zinc/71/71/89/731717189.db2.gz MYPXZSRODAKCFR-UHFFFAOYSA-N 1 1 354.479 3.142 20 30 FGEDMO CC(C)C#CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000854949191 731878993 /nfs/dbraw/zinc/87/89/93/731878993.db2.gz IGHHTQFQOJUEGZ-UHFFFAOYSA-N 1 1 363.299 3.189 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N(CC)[C@H]2CC[N@@H+](C)C2)s1 ZINC000855363113 731922020 /nfs/dbraw/zinc/92/20/20/731922020.db2.gz VXHNXKVNBSKGQF-ZDUSSCGKSA-N 1 1 373.975 3.391 20 30 FGEDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccccc3SCC#N)sc2C1 ZINC000862500271 732842168 /nfs/dbraw/zinc/84/21/68/732842168.db2.gz STWCGGBWRHVCSW-UHFFFAOYSA-N 1 1 358.492 3.389 20 30 FGEDMO CC[N@H+]1CCc2nc(NC(=O)c3ccccc3SCC#N)sc2C1 ZINC000862500271 732842174 /nfs/dbraw/zinc/84/21/74/732842174.db2.gz STWCGGBWRHVCSW-UHFFFAOYSA-N 1 1 358.492 3.389 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1sccc1CC#N ZINC000869802715 733776751 /nfs/dbraw/zinc/77/67/51/733776751.db2.gz WPTREVSZKXOXTM-MAUKXSAKSA-N 1 1 353.491 3.312 20 30 FGEDMO CSc1nnc(SC)n1[NH+]=C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000872417438 735626692 /nfs/dbraw/zinc/62/66/92/735626692.db2.gz BSOLEWZGWKSKKS-NSHDSACASA-N 1 1 373.548 3.353 20 30 FGEDMO CCOP(=O)(CCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)OCC ZINC000877545841 736681830 /nfs/dbraw/zinc/68/18/30/736681830.db2.gz MSHJILDRJPMGPZ-MRXNPFEDSA-N 1 1 367.386 3.063 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879561765 737007639 /nfs/dbraw/zinc/00/76/39/737007639.db2.gz UOPGGNBRECUSGK-AGIUHOORSA-N 1 1 361.536 3.120 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879561765 737007644 /nfs/dbraw/zinc/00/76/44/737007644.db2.gz UOPGGNBRECUSGK-AGIUHOORSA-N 1 1 361.536 3.120 20 30 FGEDMO Cc1csc([C@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000880009258 737099778 /nfs/dbraw/zinc/09/97/78/737099778.db2.gz MRRHXJBQGCIKDQ-INIZCTEOSA-N 1 1 354.479 3.188 20 30 FGEDMO Cc1csc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000880009258 737099785 /nfs/dbraw/zinc/09/97/85/737099785.db2.gz MRRHXJBQGCIKDQ-INIZCTEOSA-N 1 1 354.479 3.188 20 30 FGEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)n1 ZINC000880011312 737099960 /nfs/dbraw/zinc/09/99/60/737099960.db2.gz NRULYAPDILUSDP-OAHLLOKOSA-N 1 1 351.435 3.363 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880318166 737153879 /nfs/dbraw/zinc/15/38/79/737153879.db2.gz BJHPZIKBKNOLGF-YPMHNXCESA-N 1 1 360.870 3.485 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880318166 737153881 /nfs/dbraw/zinc/15/38/81/737153881.db2.gz BJHPZIKBKNOLGF-YPMHNXCESA-N 1 1 360.870 3.485 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319251 737154520 /nfs/dbraw/zinc/15/45/20/737154520.db2.gz USMDAHZLEWTXLD-IOSXPMGOSA-N 1 1 360.527 3.252 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCCSCC#N)C2(CCC2)CC1 ZINC000880349113 737161114 /nfs/dbraw/zinc/16/11/14/737161114.db2.gz VQTBHRWWLMGAGC-UHFFFAOYSA-N 1 1 353.532 3.499 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)Nc1cccc(CC#N)n1)c1ccccc1Cl ZINC000881156275 737296021 /nfs/dbraw/zinc/29/60/21/737296021.db2.gz RTPNZJMBYRHDDL-MRXNPFEDSA-N 1 1 357.845 3.225 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886686337 739284090 /nfs/dbraw/zinc/28/40/90/739284090.db2.gz NSWRNEAOPAXWQE-CQSZACIVSA-N 1 1 357.255 3.490 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886686337 739284094 /nfs/dbraw/zinc/28/40/94/739284094.db2.gz NSWRNEAOPAXWQE-CQSZACIVSA-N 1 1 357.255 3.490 20 30 FGEDMO Cc1csc(C[C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000886698730 739286843 /nfs/dbraw/zinc/28/68/43/739286843.db2.gz MCSCSIMWVJMWOV-MRXNPFEDSA-N 1 1 360.527 3.049 20 30 FGEDMO Cc1csc(C[C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)n1 ZINC000886698730 739286847 /nfs/dbraw/zinc/28/68/47/739286847.db2.gz MCSCSIMWVJMWOV-MRXNPFEDSA-N 1 1 360.527 3.049 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)Nc2nc(Cl)c(C#N)s2)[C@H]1c1ccccc1 ZINC000888419008 739519900 /nfs/dbraw/zinc/51/99/00/739519900.db2.gz GJVBHRPDWNGFLE-WCQYABFASA-N 1 1 361.858 3.235 20 30 FGEDMO N#Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000889223955 739643349 /nfs/dbraw/zinc/64/33/49/739643349.db2.gz RCZVXCFXJNFSIN-OAHLLOKOSA-N 1 1 355.467 3.048 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C#N)cn2)[C@@H]1c1cccs1 ZINC000889226278 739644063 /nfs/dbraw/zinc/64/40/63/739644063.db2.gz ABALGZSQMFMJBY-WMLDXEAASA-N 1 1 355.467 3.219 20 30 FGEDMO CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@@H+](CC(C)(C)CCC#N)C2)C1 ZINC000896168671 742507476 /nfs/dbraw/zinc/50/74/76/742507476.db2.gz ULGPHSGVCLPCRM-LJQANCHMSA-N 1 1 351.491 3.028 20 30 FGEDMO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000901254065 743243142 /nfs/dbraw/zinc/24/31/42/743243142.db2.gz BBENRSQQFLIKEM-QAPCUYQASA-N 1 1 367.896 3.096 20 30 FGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc(OCC(F)(F)F)nc2)no1 ZINC000904707920 743970704 /nfs/dbraw/zinc/97/07/04/743970704.db2.gz MCJCUSDYOOFCQB-LBPRGKRZSA-N 1 1 356.348 3.353 20 30 FGEDMO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@]34C[C@H]3CCC4)CC[C@@H]2C1 ZINC000946687965 762258340 /nfs/dbraw/zinc/25/83/40/762258340.db2.gz DCQRCQMYBAKSLP-KYHPRHEASA-N 1 1 367.331 3.256 20 30 FGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000948611768 762338864 /nfs/dbraw/zinc/33/88/64/762338864.db2.gz CDUXFYYDXRUFOZ-FGTMMUONSA-N 1 1 354.922 3.115 20 30 FGEDMO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCc1cc(Cl)cc(C#N)c1 ZINC000922499693 758938026 /nfs/dbraw/zinc/93/80/26/758938026.db2.gz GPRFGSQOSSHSIE-KRWDZBQOSA-N 1 1 350.846 3.048 20 30 FGEDMO CC(C)C[N@H+](Cc1ccccn1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000932445777 761169531 /nfs/dbraw/zinc/16/95/31/761169531.db2.gz JDHZJFBATKIGMY-QGZVFWFLSA-N 1 1 354.479 3.278 20 30 FGEDMO CC(C)C[N@@H+](Cc1ccccn1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000932445777 761169535 /nfs/dbraw/zinc/16/95/35/761169535.db2.gz JDHZJFBATKIGMY-QGZVFWFLSA-N 1 1 354.479 3.278 20 30 FGEDMO C[C@@H]1CSCCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000934302388 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FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248441406 497012535 /nfs/dbraw/zinc/01/25/35/497012535.db2.gz DQQUMXRGQYLOMQ-AUUYWEPGSA-N 1 1 353.397 3.178 20 30 FGEDMO CN1C(=O)C[C@H]([NH2+]Cc2ccc(F)cc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000192153823 497015885 /nfs/dbraw/zinc/01/58/85/497015885.db2.gz CXJCHIFOTQEVTB-PKOBYXMFSA-N 1 1 357.816 3.412 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189137358 497019505 /nfs/dbraw/zinc/01/95/05/497019505.db2.gz XZDHNSAIGHRQPO-UWJYYQICSA-N 1 1 359.473 3.227 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000572082691 505884412 /nfs/dbraw/zinc/88/44/12/505884412.db2.gz MRPFXCOUSYEIAZ-HXUWFJFHSA-N 1 1 362.477 3.435 20 30 FGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000248752674 497098556 /nfs/dbraw/zinc/09/85/56/497098556.db2.gz HURKGZSUGMAUOH-UNMCSNQZSA-N 1 1 350.462 3.445 20 30 FGEDMO C[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C(N)=O)C1 ZINC000248753391 497098622 /nfs/dbraw/zinc/09/86/22/497098622.db2.gz HMYGPVJIKMPKCP-WIYYLYMNSA-N 1 1 361.489 3.472 20 30 FGEDMO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Cl)cn1 ZINC000274748318 497157077 /nfs/dbraw/zinc/15/70/77/497157077.db2.gz GZIGBBNFEZMNRQ-UGSOOPFHSA-N 1 1 354.841 3.453 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000249096319 497165030 /nfs/dbraw/zinc/16/50/30/497165030.db2.gz XZDHNSAIGHRQPO-DYESRHJHSA-N 1 1 359.473 3.227 20 30 FGEDMO N#CCCN(Cc1ccco1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278690863 497190440 /nfs/dbraw/zinc/19/04/40/497190440.db2.gz SHGPSDBOBVHKQP-OAQYLSRUSA-N 1 1 353.466 3.286 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCC3(CCOCC3)C1)CCC2 ZINC000266039503 497239219 /nfs/dbraw/zinc/23/92/19/497239219.db2.gz VOYLZRCMEVFKQS-UHFFFAOYSA-N 1 1 373.522 3.330 20 30 FGEDMO CCN1CCN(C[C@@H](C)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271067792 497256907 /nfs/dbraw/zinc/25/69/07/497256907.db2.gz KASUGFDEMHNBIG-RBKXMNCYSA-N 1 1 368.569 3.254 20 30 FGEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000278968969 497285619 /nfs/dbraw/zinc/28/56/19/497285619.db2.gz GNZVYNXZBCWWLT-MRXNPFEDSA-N 1 1 352.438 3.017 20 30 FGEDMO C=CCC[C@H](C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000189911308 497290248 /nfs/dbraw/zinc/29/02/48/497290248.db2.gz KUZCGXQRBVTEAK-YADHBBJMSA-N 1 1 369.553 3.365 20 30 FGEDMO N#CC1(NC(=O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)CCCCC1 ZINC000279167507 497353981 /nfs/dbraw/zinc/35/39/81/497353981.db2.gz BRBVGFBWSKSZPX-UHFFFAOYSA-N 1 1 373.472 3.149 20 30 FGEDMO CC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC[C@H]1c1ccccc1 ZINC000245408052 497391430 /nfs/dbraw/zinc/39/14/30/497391430.db2.gz FIHZAIBPYSFHMP-AZUAARDMSA-N 1 1 352.482 3.158 20 30 FGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@H](C)C2)c1C#N ZINC000261392363 497409592 /nfs/dbraw/zinc/40/95/92/497409592.db2.gz SVZPRRBZTHEIAC-ZDUSSCGKSA-N 1 1 354.429 3.385 20 30 FGEDMO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@H](C)C2)c1C#N ZINC000261392363 497409599 /nfs/dbraw/zinc/40/95/99/497409599.db2.gz SVZPRRBZTHEIAC-ZDUSSCGKSA-N 1 1 354.429 3.385 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000578286973 505904970 /nfs/dbraw/zinc/90/49/70/505904970.db2.gz XCTBYHKIJQQWRR-LBPRGKRZSA-N 1 1 370.375 3.309 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245450239 497412675 /nfs/dbraw/zinc/41/26/75/497412675.db2.gz OKHJZLDVKBLHBG-LSDHHAIUSA-N 1 1 374.554 3.242 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000245569331 497461151 /nfs/dbraw/zinc/46/11/51/497461151.db2.gz WCGANNXXQDMZPO-HKUYNNGSSA-N 1 1 351.498 3.292 20 30 FGEDMO C=CC[N@@H+](C[C@@H](C)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000245569927 497461662 /nfs/dbraw/zinc/46/16/62/497461662.db2.gz WPCLFUCDSTVZJV-CJNGLKHVSA-N 1 1 372.328 3.228 20 30 FGEDMO C=CC[N@H+](C[C@@H](C)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC000245569927 497461667 /nfs/dbraw/zinc/46/16/67/497461667.db2.gz WPCLFUCDSTVZJV-CJNGLKHVSA-N 1 1 372.328 3.228 20 30 FGEDMO N#Cc1ccc(SCC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000193766612 497474239 /nfs/dbraw/zinc/47/42/39/497474239.db2.gz VCWYXDJOSZIWPD-IBGZPJMESA-N 1 1 365.502 3.289 20 30 FGEDMO CC(C)C(=O)NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000267045981 497475534 /nfs/dbraw/zinc/47/55/34/497475534.db2.gz IQKLYSISTUYACQ-UHFFFAOYSA-N 1 1 352.400 3.294 20 30 FGEDMO CN(C(=O)c1sccc1C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245714697 497513756 /nfs/dbraw/zinc/51/37/56/497513756.db2.gz OGXIAJIIHHXCFT-QZTJIDSGSA-N 1 1 374.554 3.029 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000245716248 497514108 /nfs/dbraw/zinc/51/41/08/497514108.db2.gz OCRFYKBUJBKHAT-OWCLPIDISA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000245716248 497514112 /nfs/dbraw/zinc/51/41/12/497514112.db2.gz OCRFYKBUJBKHAT-OWCLPIDISA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(F)c1F ZINC000190606785 497543608 /nfs/dbraw/zinc/54/36/08/497543608.db2.gz CRWSXPCCSCPDSY-ACJLOTCBSA-N 1 1 355.388 3.288 20 30 FGEDMO N#Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000194247005 497613276 /nfs/dbraw/zinc/61/32/76/497613276.db2.gz MKUSBCKDXGFPJL-UHFFFAOYSA-N 1 1 352.413 3.483 20 30 FGEDMO C=CCN(CCOC)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000190898064 497637008 /nfs/dbraw/zinc/63/70/08/497637008.db2.gz SFHNYFRJSCSHIW-GOSISDBHSA-N 1 1 359.514 3.405 20 30 FGEDMO CC(C)CCOC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000194339128 497639187 /nfs/dbraw/zinc/63/91/87/497639187.db2.gz PGBASAWHEJIXAT-HXUWFJFHSA-N 1 1 355.482 3.191 20 30 FGEDMO N#CCc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000280132354 497659775 /nfs/dbraw/zinc/65/97/75/497659775.db2.gz VIJHBVQMCWBURU-BGYRXZFFSA-N 1 1 360.461 3.348 20 30 FGEDMO C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000246209168 497661642 /nfs/dbraw/zinc/66/16/42/497661642.db2.gz PFCKZPHXXJZSNP-UZLBHIALSA-N 1 1 365.506 3.440 20 30 FGEDMO C[N@@H+]1CCC[C@H](CNCc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000246209168 497661649 /nfs/dbraw/zinc/66/16/49/497661649.db2.gz PFCKZPHXXJZSNP-UZLBHIALSA-N 1 1 365.506 3.440 20 30 FGEDMO C[N@H+]1CCC[C@H](CNCc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000246209168 497661655 /nfs/dbraw/zinc/66/16/55/497661655.db2.gz PFCKZPHXXJZSNP-UZLBHIALSA-N 1 1 365.506 3.440 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280246241 497694618 /nfs/dbraw/zinc/69/46/18/497694618.db2.gz BEFKHSBUASRCJG-QWHCGFSZSA-N 1 1 352.276 3.084 20 30 FGEDMO C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)C1=CC[N@@H+](C)CC1 ZINC000272664473 497695467 /nfs/dbraw/zinc/69/54/67/497695467.db2.gz IVLRUYZJXFULQI-QGZVFWFLSA-N 1 1 360.461 3.253 20 30 FGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000246329582 497697673 /nfs/dbraw/zinc/69/76/73/497697673.db2.gz DQFQYAADUAHHGN-UYAOXDASSA-N 1 1 350.418 3.270 20 30 FGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000246329582 497697677 /nfs/dbraw/zinc/69/76/77/497697677.db2.gz DQFQYAADUAHHGN-UYAOXDASSA-N 1 1 350.418 3.270 20 30 FGEDMO CC(=O)c1cccc(OC[C@H](O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194539593 497699103 /nfs/dbraw/zinc/69/91/03/497699103.db2.gz LDPOXYDGJWPWPC-OAQYLSRUSA-N 1 1 364.445 3.165 20 30 FGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000268325050 497726839 /nfs/dbraw/zinc/72/68/39/497726839.db2.gz VINNPYDLMFYNAS-UHFFFAOYSA-N 1 1 351.425 3.434 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000268328209 497726888 /nfs/dbraw/zinc/72/68/88/497726888.db2.gz MQYJHLVSKUMEOU-IBGZPJMESA-N 1 1 371.506 3.046 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000268328209 497726894 /nfs/dbraw/zinc/72/68/94/497726894.db2.gz MQYJHLVSKUMEOU-IBGZPJMESA-N 1 1 371.506 3.046 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000246472116 497744844 /nfs/dbraw/zinc/74/48/44/497744844.db2.gz FZRCUZVJTDBVPN-WMLDXEAASA-N 1 1 363.527 3.216 20 30 FGEDMO C[C@@H]([NH2+]CC1(CN[C@@H](C)c2ccc(C#N)cc2)COC1)c1ccc(C#N)cc1 ZINC000272874244 497750543 /nfs/dbraw/zinc/75/05/43/497750543.db2.gz BEKVOPJIDBCXRP-HDICACEKSA-N 1 1 374.488 3.448 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C#N)c1C ZINC000246516293 497759451 /nfs/dbraw/zinc/75/94/51/497759451.db2.gz IOQLYZZURZTBFH-GMBSWORKSA-N 1 1 370.497 3.044 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000246521400 497762564 /nfs/dbraw/zinc/76/25/64/497762564.db2.gz FTBCDJRLXJTWET-NSHGMRRFSA-N 1 1 355.482 3.131 20 30 FGEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000246685893 497800156 /nfs/dbraw/zinc/80/01/56/497800156.db2.gz MROBYJOGKNSGDP-AZUAARDMSA-N 1 1 355.482 3.050 20 30 FGEDMO COCC[N@@H+](C)CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000263710614 497810142 /nfs/dbraw/zinc/81/01/42/497810142.db2.gz DJJMBLSPBYMJQW-UHFFFAOYSA-N 1 1 369.490 3.017 20 30 FGEDMO CC[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H](CC)CN1Cc1ccc(C#N)o1 ZINC000246782455 497810334 /nfs/dbraw/zinc/81/03/34/497810334.db2.gz QFUDBSCEDORFFQ-HOTGVXAUSA-N 1 1 352.438 3.491 20 30 FGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H](CC)CN1Cc1ccc(C#N)o1 ZINC000246782455 497810336 /nfs/dbraw/zinc/81/03/36/497810336.db2.gz QFUDBSCEDORFFQ-HOTGVXAUSA-N 1 1 352.438 3.491 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1C ZINC000246827880 497814516 /nfs/dbraw/zinc/81/45/16/497814516.db2.gz SLEPCHQUFJCARA-AZUAARDMSA-N 1 1 355.482 3.051 20 30 FGEDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000280610460 497825626 /nfs/dbraw/zinc/82/56/26/497825626.db2.gz OTQUAEIZIQZCAK-HLIPFELVSA-N 1 1 369.509 3.202 20 30 FGEDMO CC[N@H+]1CCC[C@H](NC(=O)c2cn(-c3nc(C)cc(C)n3)nc2C(C)C)C1 ZINC000329641832 497854678 /nfs/dbraw/zinc/85/46/78/497854678.db2.gz XZGLVKUYTVSGMD-INIZCTEOSA-N 1 1 370.501 3.191 20 30 FGEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000364239675 497855104 /nfs/dbraw/zinc/85/51/04/497855104.db2.gz JPURVKCUDRWTNH-UHFFFAOYSA-N 1 1 369.383 3.208 20 30 FGEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000364239675 497855107 /nfs/dbraw/zinc/85/51/07/497855107.db2.gz JPURVKCUDRWTNH-UHFFFAOYSA-N 1 1 369.383 3.208 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329724424 497881737 /nfs/dbraw/zinc/88/17/37/497881737.db2.gz FWMJCLUVYMHETQ-MANSERQUSA-N 1 1 371.529 3.445 20 30 FGEDMO O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000329745898 497886238 /nfs/dbraw/zinc/88/62/38/497886238.db2.gz YPOWCZZSADDHDO-TZIWHRDSSA-N 1 1 369.509 3.429 20 30 FGEDMO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000569470294 505943118 /nfs/dbraw/zinc/94/31/18/505943118.db2.gz KQNBTTXXNIWSIO-SWLSCSKDSA-N 1 1 352.276 3.078 20 30 FGEDMO C[C@H]1[C@H](NC(=O)CSc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000575209196 505943170 /nfs/dbraw/zinc/94/31/70/505943170.db2.gz OPWWEWQPXVZSTC-OXJNMPFZSA-N 1 1 365.502 3.430 20 30 FGEDMO C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)Oc1cccc(Cl)c1 ZINC000329767933 497895304 /nfs/dbraw/zinc/89/53/04/497895304.db2.gz FZRWJLPMRWFKNF-KBRIMQKVSA-N 1 1 351.878 3.238 20 30 FGEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)c1ccc3c(c1)OCO3)CC2 ZINC000329775696 497897838 /nfs/dbraw/zinc/89/78/38/497897838.db2.gz NHJVQQHKHVLNAL-OIISXLGYSA-N 1 1 359.470 3.337 20 30 FGEDMO Cc1ccc([C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280790298 497899617 /nfs/dbraw/zinc/89/96/17/497899617.db2.gz JMQMKZQUHUGQPU-OXQOHEQNSA-N 1 1 372.490 3.161 20 30 FGEDMO C=CCC[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000581270893 505948064 /nfs/dbraw/zinc/94/80/64/505948064.db2.gz WMLDIURVOWYWLO-PMACEKPBSA-N 1 1 371.525 3.143 20 30 FGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2nnc(C(C)(C)C)s2)C1 ZINC000329838700 497920726 /nfs/dbraw/zinc/92/07/26/497920726.db2.gz 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Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000329985695 497981325 /nfs/dbraw/zinc/98/13/25/497981325.db2.gz DMXOBMXILRMTNO-NVXWUHKLSA-N 1 1 369.513 3.378 20 30 FGEDMO Cc1nc2ccccc2n1C1CCN(C([O-])=[NH+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000329985695 497981328 /nfs/dbraw/zinc/98/13/28/497981328.db2.gz DMXOBMXILRMTNO-NVXWUHKLSA-N 1 1 369.513 3.378 20 30 FGEDMO CN1CC[N@@H+](CCCNc2ccc(Cl)c(C#N)n2)[C@@H](c2ccccc2)C1 ZINC000301188321 497990251 /nfs/dbraw/zinc/99/02/51/497990251.db2.gz WSYWYXBMDUKVJB-LJQANCHMSA-N 1 1 369.900 3.397 20 30 FGEDMO C[N@@H+]1CCN(CCCNc2ccc(Cl)c(C#N)n2)[C@@H](c2ccccc2)C1 ZINC000301188321 497990258 /nfs/dbraw/zinc/99/02/58/497990258.db2.gz WSYWYXBMDUKVJB-LJQANCHMSA-N 1 1 369.900 3.397 20 30 FGEDMO C[N@H+]1CCN(CCCNc2ccc(Cl)c(C#N)n2)[C@@H](c2ccccc2)C1 ZINC000301188321 497990264 /nfs/dbraw/zinc/99/02/64/497990264.db2.gz WSYWYXBMDUKVJB-LJQANCHMSA-N 1 1 369.900 3.397 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCc2cc(F)ccc21 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FGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Cl)cc2Cl)cc1 ZINC000572455731 505973411 /nfs/dbraw/zinc/97/34/11/505973411.db2.gz QIROGRUUCPDRBN-UHFFFAOYSA-N 1 1 369.273 3.429 20 30 FGEDMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000330254060 498081090 /nfs/dbraw/zinc/08/10/90/498081090.db2.gz JGSGVYFFKPTVSN-BUBBNXEVSA-N 1 1 355.482 3.459 20 30 FGEDMO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000330254060 498081096 /nfs/dbraw/zinc/08/10/96/498081096.db2.gz JGSGVYFFKPTVSN-BUBBNXEVSA-N 1 1 355.482 3.459 20 30 FGEDMO CC[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1nc(C)cs1 ZINC000330258918 498084281 /nfs/dbraw/zinc/08/42/81/498084281.db2.gz MXNKBRQYWHEYAO-HOCLYGCPSA-N 1 1 366.531 3.002 20 30 FGEDMO CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000330274792 498088833 /nfs/dbraw/zinc/08/88/33/498088833.db2.gz KQRYGHRBYRHIBU-MISYRCLQSA-N 1 1 360.498 3.202 20 30 FGEDMO C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 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FGEDMO C#CCC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CCCCC1 ZINC000375514745 499527206 /nfs/dbraw/zinc/52/72/06/499527206.db2.gz OHDPLRHVPDRTPP-HXUWFJFHSA-N 1 1 353.510 3.384 20 30 FGEDMO CCOC(=O)[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)Cc2ccccc21 ZINC000375619625 499538518 /nfs/dbraw/zinc/53/85/18/499538518.db2.gz FUOSBODMNWPIFU-LJQANCHMSA-N 1 1 356.466 3.249 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](Cc2ccc(C(F)F)cc2)C1)C1CC1 ZINC000375829461 499560127 /nfs/dbraw/zinc/56/01/27/499560127.db2.gz JJUWUALGNDUNKK-QRWLVFNGSA-N 1 1 361.436 3.297 20 30 FGEDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000376207214 499590973 /nfs/dbraw/zinc/59/09/73/499590973.db2.gz BTVCRROPXFKNIM-NHCUHLMSSA-N 1 1 354.498 3.012 20 30 FGEDMO C=C(CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1 ZINC000376792463 499634531 /nfs/dbraw/zinc/63/45/31/499634531.db2.gz MUBGDOHUJYELJJ-HXUWFJFHSA-N 1 1 364.493 3.306 20 30 FGEDMO Cc1cc(C)nc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)n1 ZINC000377003094 499653240 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Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)no1 ZINC000377290970 499677326 /nfs/dbraw/zinc/67/73/26/499677326.db2.gz KCYITRWWXBNIAW-CYBMUJFWSA-N 1 1 361.243 3.392 20 30 FGEDMO Cc1nc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccc1C#N ZINC000411076507 499696035 /nfs/dbraw/zinc/69/60/35/499696035.db2.gz XOGBVVUQUVPRJD-GJZGRUSLSA-N 1 1 364.449 3.123 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2nccs2)c(OC)c1 ZINC000377502251 499697884 /nfs/dbraw/zinc/69/78/84/499697884.db2.gz LRVBYHLVDWACRM-IRXDYDNUSA-N 1 1 374.506 3.457 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2nccs2)c(OC)c1 ZINC000377502251 499697886 /nfs/dbraw/zinc/69/78/86/499697886.db2.gz LRVBYHLVDWACRM-IRXDYDNUSA-N 1 1 374.506 3.457 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000411175008 499706949 /nfs/dbraw/zinc/70/69/49/499706949.db2.gz BZPJFWAGVOUWJN-MRXNPFEDSA-N 1 1 356.470 3.488 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000411175008 499706951 /nfs/dbraw/zinc/70/69/51/499706951.db2.gz BZPJFWAGVOUWJN-MRXNPFEDSA-N 1 1 356.470 3.488 20 30 FGEDMO CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000411181245 499707683 /nfs/dbraw/zinc/70/76/83/499707683.db2.gz ACQJWAWSUSCUFN-UHFFFAOYSA-N 1 1 361.511 3.280 20 30 FGEDMO COC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cs1 ZINC000411225108 499713877 /nfs/dbraw/zinc/71/38/77/499713877.db2.gz MGNIDFORGBWKEC-UHFFFAOYSA-N 1 1 356.447 3.450 20 30 FGEDMO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000377667791 499717655 /nfs/dbraw/zinc/71/76/55/499717655.db2.gz BCVKDELAGGJHOR-AUUYWEPGSA-N 1 1 355.438 3.373 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377732553 499726147 /nfs/dbraw/zinc/72/61/47/499726147.db2.gz MSRNIJPBBKYMFR-FQEVSTJZSA-N 1 1 367.474 3.418 20 30 FGEDMO CCOc1ccnc(N2CCC[N@@H+](CCC3(C#N)CCCCC3)CC2)n1 ZINC000411329414 499726543 /nfs/dbraw/zinc/72/65/43/499726543.db2.gz VLBVFZCXEPDTIR-UHFFFAOYSA-N 1 1 357.502 3.252 20 30 FGEDMO Cn1cc(C[N@@H+](C)CC2CCN(C(=O)Nc3ccccc3)CC2)cc1C#N ZINC000377905747 499746891 /nfs/dbraw/zinc/74/68/91/499746891.db2.gz HNOWPGWJOSLCMA-UHFFFAOYSA-N 1 1 365.481 3.273 20 30 FGEDMO C=CCC[C@@H]1NC(=O)N(c2cccc(Cn3cc[nH+]c3C(C)C)c2)C1=O ZINC000414388923 499785187 /nfs/dbraw/zinc/78/51/87/499785187.db2.gz DGNMLQNFZSJOLD-KRWDZBQOSA-N 1 1 352.438 3.446 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](CO)CC(C)(C)C ZINC000411794915 499791565 /nfs/dbraw/zinc/79/15/65/499791565.db2.gz QATGIEAFUAATJE-CYBMUJFWSA-N 1 1 363.527 3.166 20 30 FGEDMO Cc1ccc(C#N)cc1S(=O)(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000414461292 499795072 /nfs/dbraw/zinc/79/50/72/499795072.db2.gz DILRVWUUHPDOAX-UHFFFAOYSA-N 1 1 371.506 3.185 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2ccncn2)CC1 ZINC000411830119 499795240 /nfs/dbraw/zinc/79/52/40/499795240.db2.gz WNKVQWUIWPDFEY-MRXNPFEDSA-N 1 1 370.522 3.321 20 30 FGEDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000414502831 499800130 /nfs/dbraw/zinc/80/01/30/499800130.db2.gz VFGHBPGWYDASMH-FQEVSTJZSA-N 1 1 363.461 3.047 20 30 FGEDMO COc1ccc(C[N@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1Cl ZINC000412038008 499815659 /nfs/dbraw/zinc/81/56/59/499815659.db2.gz IRAKQTIUMLREQN-GOSISDBHSA-N 1 1 369.852 3.458 20 30 FGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cc1Cl ZINC000412038008 499815661 /nfs/dbraw/zinc/81/56/61/499815661.db2.gz IRAKQTIUMLREQN-GOSISDBHSA-N 1 1 369.852 3.458 20 30 FGEDMO C[C@H]1C[NH+](C(C)(C)CNc2cc(C(F)(F)F)cnc2C#N)C[C@H](C)O1 ZINC000413034047 499905508 /nfs/dbraw/zinc/90/55/08/499905508.db2.gz LYHADRRHLSYRDT-RYUDHWBXSA-N 1 1 356.392 3.272 20 30 FGEDMO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(C#N)cc1Br)C(N)=O ZINC000428882731 499953302 /nfs/dbraw/zinc/95/33/02/499953302.db2.gz QUKISFABYJVYIH-PXAZEXFGSA-N 1 1 372.266 3.068 20 30 FGEDMO CN1C(=O)C[C@H]([NH2+]Cc2cccc(F)c2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000428987592 499973867 /nfs/dbraw/zinc/97/38/67/499973867.db2.gz XBDAXUOAWINFKM-PKOBYXMFSA-N 1 1 359.351 3.037 20 30 FGEDMO COC(=O)[C@H](CC(C)C)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429175528 500019244 /nfs/dbraw/zinc/01/92/44/500019244.db2.gz UIIWIRILTRQTJK-INIZCTEOSA-N 1 1 365.861 3.060 20 30 FGEDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000429175528 500019246 /nfs/dbraw/zinc/01/92/46/500019246.db2.gz UIIWIRILTRQTJK-INIZCTEOSA-N 1 1 365.861 3.060 20 30 FGEDMO CC1(C)C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](CO)O1 ZINC000421364177 500027569 /nfs/dbraw/zinc/02/75/69/500027569.db2.gz RMNMWSWDFOJLMO-NRFANRHFSA-N 1 1 366.461 3.109 20 30 FGEDMO CC1(C)C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](CO)O1 ZINC000421364177 500027572 /nfs/dbraw/zinc/02/75/72/500027572.db2.gz RMNMWSWDFOJLMO-NRFANRHFSA-N 1 1 366.461 3.109 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C2(CO)CCC2)c1C#N ZINC000429243259 500032019 /nfs/dbraw/zinc/03/20/19/500032019.db2.gz CYVGLCWYXPCCOW-UHFFFAOYSA-N 1 1 372.513 3.267 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(c3ncc4c(c3C#N)CCC4)CC2)c1 ZINC000425234715 500051749 /nfs/dbraw/zinc/05/17/49/500051749.db2.gz ZJOXTPBTYBKVQI-INIZCTEOSA-N 1 1 362.477 3.334 20 30 FGEDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)[C@H]1C(C)C ZINC000429358976 500059519 /nfs/dbraw/zinc/05/95/19/500059519.db2.gz AEKFGWPLYGNEGV-HOCLYGCPSA-N 1 1 365.271 3.340 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)NCc3ccc(C#N)s3)cc2)C[C@@H](C)O1 ZINC000421600546 500089916 /nfs/dbraw/zinc/08/99/16/500089916.db2.gz KQXQJXFQIFUAEN-HUUCEWRRSA-N 1 1 369.490 3.159 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCc3ccc(C#N)s3)cc2)C[C@H](C)O1 ZINC000421600544 500090182 /nfs/dbraw/zinc/09/01/82/500090182.db2.gz KQXQJXFQIFUAEN-GASCZTMLSA-N 1 1 369.490 3.159 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCc3ccc(C#N)s3)cc2)C[C@H](C)O1 ZINC000421600544 500090185 /nfs/dbraw/zinc/09/01/85/500090185.db2.gz KQXQJXFQIFUAEN-GASCZTMLSA-N 1 1 369.490 3.159 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000425404785 500095738 /nfs/dbraw/zinc/09/57/38/500095738.db2.gz MJAIIXDWMRMMHW-LMNJBCLMSA-N 1 1 371.525 3.451 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000425415421 500098230 /nfs/dbraw/zinc/09/82/30/500098230.db2.gz JRJDUSFFCXSNJC-KRWDZBQOSA-N 1 1 350.466 3.393 20 30 FGEDMO C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000416818667 500129046 /nfs/dbraw/zinc/12/90/46/500129046.db2.gz QONDWIRPYIOPIQ-OAHLLOKOSA-N 1 1 352.413 3.436 20 30 FGEDMO C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000416818667 500129050 /nfs/dbraw/zinc/12/90/50/500129050.db2.gz QONDWIRPYIOPIQ-OAHLLOKOSA-N 1 1 352.413 3.436 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425531849 500134969 /nfs/dbraw/zinc/13/49/69/500134969.db2.gz IGTYEVIUJTZXJK-AWEZNQCLSA-N 1 1 352.394 3.406 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425531849 500134971 /nfs/dbraw/zinc/13/49/71/500134971.db2.gz IGTYEVIUJTZXJK-AWEZNQCLSA-N 1 1 352.394 3.406 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000425533446 500135341 /nfs/dbraw/zinc/13/53/41/500135341.db2.gz DREPEODZIXHNTP-HNNXBMFYSA-N 1 1 350.422 3.289 20 30 FGEDMO COc1ccc(CN(C)C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1F ZINC000425539996 500138697 /nfs/dbraw/zinc/13/86/97/500138697.db2.gz NOLCUXLACAIGBJ-OAHLLOKOSA-N 1 1 369.440 3.357 20 30 FGEDMO COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1F ZINC000425539996 500138700 /nfs/dbraw/zinc/13/87/00/500138700.db2.gz NOLCUXLACAIGBJ-OAHLLOKOSA-N 1 1 369.440 3.357 20 30 FGEDMO CCCOc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OC ZINC000430156708 500201968 /nfs/dbraw/zinc/20/19/68/500201968.db2.gz OFKXTSFICVQVOZ-SFHVURJKSA-N 1 1 367.449 3.404 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cscc3Br)C2)nc1 ZINC000430160565 500202089 /nfs/dbraw/zinc/20/20/89/500202089.db2.gz MGUKHAMKLNLYIT-ZDUSSCGKSA-N 1 1 364.268 3.431 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cscc3Br)C2)nc1 ZINC000430160565 500202092 /nfs/dbraw/zinc/20/20/92/500202092.db2.gz MGUKHAMKLNLYIT-ZDUSSCGKSA-N 1 1 364.268 3.431 20 30 FGEDMO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000425836680 500203398 /nfs/dbraw/zinc/20/33/98/500203398.db2.gz BSACRQPYCZPCRO-MDNKFWRPSA-N 1 1 354.498 3.373 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1C#N ZINC000426234987 500251131 /nfs/dbraw/zinc/25/11/31/500251131.db2.gz BAPFKDIGVSUZGW-RTBURBONSA-N 1 1 372.513 3.266 20 30 FGEDMO N#Cc1ccc(C[N@H+](CCO)Cc2cc(Br)cs2)s1 ZINC000426385958 500267735 /nfs/dbraw/zinc/26/77/35/500267735.db2.gz SVGRBVKCDKTUKX-UHFFFAOYSA-N 1 1 357.298 3.438 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCO)Cc2cc(Br)cs2)s1 ZINC000426385958 500267737 /nfs/dbraw/zinc/26/77/37/500267737.db2.gz SVGRBVKCDKTUKX-UHFFFAOYSA-N 1 1 357.298 3.438 20 30 FGEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NCC1(CC#N)CC1 ZINC000430677247 500268638 /nfs/dbraw/zinc/26/86/38/500268638.db2.gz FXFVQLNGVWTZPL-LJQANCHMSA-N 1 1 368.525 3.452 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCSC4(CCCCC4)C3)C2=O)cc1 ZINC000430771922 500282964 /nfs/dbraw/zinc/28/29/64/500282964.db2.gz HRQLEYIVVDUTIX-SFHVURJKSA-N 1 1 355.507 3.415 20 30 FGEDMO C=CCC[C@H](C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1 ZINC000426824529 500325428 /nfs/dbraw/zinc/32/54/28/500325428.db2.gz IHLPINPXYLHYTH-NRFANRHFSA-N 1 1 357.542 3.221 20 30 FGEDMO C=CCC[C@H](C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000426824529 500325432 /nfs/dbraw/zinc/32/54/32/500325432.db2.gz IHLPINPXYLHYTH-NRFANRHFSA-N 1 1 357.542 3.221 20 30 FGEDMO N#Cc1cnc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC000427905196 500444273 /nfs/dbraw/zinc/44/42/73/500444273.db2.gz WMVGPPOFAFHEKB-MRXNPFEDSA-N 1 1 354.841 3.001 20 30 FGEDMO CN(C)CC[NH+]1CCC(Nc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428102744 500469146 /nfs/dbraw/zinc/46/91/46/500469146.db2.gz WRLIWLNBZIUZPM-UHFFFAOYSA-N 1 1 355.530 3.005 20 30 FGEDMO N#Cc1ccncc1N1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000570575896 506198790 /nfs/dbraw/zinc/19/87/90/506198790.db2.gz NNKCJNJBUBGAOV-UHFFFAOYSA-N 1 1 358.445 3.307 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000424495382 500511322 /nfs/dbraw/zinc/51/13/22/500511322.db2.gz PYKPPYATHINDGB-MOPGFXCFSA-N 1 1 362.901 3.356 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000424495382 500511325 /nfs/dbraw/zinc/51/13/25/500511325.db2.gz PYKPPYATHINDGB-MOPGFXCFSA-N 1 1 362.901 3.356 20 30 FGEDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN(CCC#N)CC(C)(C)C)CC1 ZINC000576620397 506200030 /nfs/dbraw/zinc/20/00/30/506200030.db2.gz VJDGQHLXRURNLF-IBGZPJMESA-N 1 1 370.541 3.154 20 30 FGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000428463937 500513218 /nfs/dbraw/zinc/51/32/18/500513218.db2.gz OMFMSWSKQLGJNH-INIZCTEOSA-N 1 1 353.445 3.395 20 30 FGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000428463937 500513219 /nfs/dbraw/zinc/51/32/19/500513219.db2.gz OMFMSWSKQLGJNH-INIZCTEOSA-N 1 1 353.445 3.395 20 30 FGEDMO C[C@H]1CCN(C(=O)NCc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000420881213 500520650 /nfs/dbraw/zinc/52/06/50/500520650.db2.gz DYBJDASUSCKIOV-INIZCTEOSA-N 1 1 368.506 3.426 20 30 FGEDMO C=CCCn1cc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nn1 ZINC000424590633 500523151 /nfs/dbraw/zinc/52/31/51/500523151.db2.gz LOYGVCCMNOPRTL-KRWDZBQOSA-N 1 1 367.497 3.016 20 30 FGEDMO CCN1CCC([N@H+]2CCCN(CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000420974430 500545407 /nfs/dbraw/zinc/54/54/07/500545407.db2.gz DRNSPMDSTQYZQH-UHFFFAOYSA-N 1 1 359.945 3.184 20 30 FGEDMO C[C@H](CNC(=O)NCc1ccc(CC#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000573481232 506202190 /nfs/dbraw/zinc/20/21/90/506202190.db2.gz OHDLBGIKMADZKK-QGZVFWFLSA-N 1 1 350.466 3.072 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C[C@@H]2CCC[N@H+]2C)c1C#N ZINC000421000740 500551608 /nfs/dbraw/zinc/55/16/08/500551608.db2.gz KFZBSEWORBXIDK-SFHVURJKSA-N 1 1 371.529 3.056 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3sccc3Br)C2)nc1 ZINC000428776715 500556125 /nfs/dbraw/zinc/55/61/25/500556125.db2.gz FPFVCCYPKJUXJT-LBPRGKRZSA-N 1 1 364.268 3.431 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3sccc3Br)C2)nc1 ZINC000428776715 500556127 /nfs/dbraw/zinc/55/61/27/500556127.db2.gz FPFVCCYPKJUXJT-LBPRGKRZSA-N 1 1 364.268 3.431 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCC(CC#N)CC2)CCC1 ZINC000582403800 506203599 /nfs/dbraw/zinc/20/35/99/506203599.db2.gz VUBGQQQCHGNZIB-UHFFFAOYSA-N 1 1 354.498 3.376 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)ccc1C#N ZINC000442804799 500627845 /nfs/dbraw/zinc/62/78/45/500627845.db2.gz WLCDFXCSMKYTTF-GOSISDBHSA-N 1 1 364.449 3.121 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1 ZINC000437347677 500634454 /nfs/dbraw/zinc/63/44/54/500634454.db2.gz PORIBGNSGFKIII-PKTZIBPZSA-N 1 1 364.489 3.337 20 30 FGEDMO CC(C)c1ccc2ncc(C#N)c(N[C@@H](C)[C@H](C)[NH+]3CCOCC3)c2c1 ZINC000447674319 500643043 /nfs/dbraw/zinc/64/30/43/500643043.db2.gz BNGXJTIYJBHFAF-HOTGVXAUSA-N 1 1 352.482 3.173 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000437652897 500676513 /nfs/dbraw/zinc/67/65/13/500676513.db2.gz SDQOGNRMXAANBN-MHORFTMASA-N 1 1 351.535 3.023 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000447926546 500690882 /nfs/dbraw/zinc/69/08/82/500690882.db2.gz MPFDHHIIFBHRJP-VGOFRKELSA-N 1 1 366.461 3.109 20 30 FGEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000448043425 500711761 /nfs/dbraw/zinc/71/17/61/500711761.db2.gz NRWCFMJMAIOMBM-HXUWFJFHSA-N 1 1 366.509 3.477 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000437992175 500726095 /nfs/dbraw/zinc/72/60/95/500726095.db2.gz JJNANAKUXQFPNM-GIVPXCGWSA-N 1 1 371.525 3.274 20 30 FGEDMO CSCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000438639135 500810254 /nfs/dbraw/zinc/81/02/54/500810254.db2.gz UWVHWTDZUOVPFO-UHFFFAOYSA-N 1 1 374.485 3.338 20 30 FGEDMO CSCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000438639135 500810257 /nfs/dbraw/zinc/81/02/57/500810257.db2.gz UWVHWTDZUOVPFO-UHFFFAOYSA-N 1 1 374.485 3.338 20 30 FGEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000444167269 500812202 /nfs/dbraw/zinc/81/22/02/500812202.db2.gz LHJZRISPMPNZIK-LSNYBQGISA-N 1 1 362.562 3.112 20 30 FGEDMO CCN(C(=O)c1cc(C#N)[nH]c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000448766622 500828044 /nfs/dbraw/zinc/82/80/44/500828044.db2.gz COCUBBQGKJZPQE-VQIMIIECSA-N 1 1 350.466 3.492 20 30 FGEDMO CCN(C(=O)c1ccc(C#N)n1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000448768679 500828568 /nfs/dbraw/zinc/82/85/68/500828568.db2.gz RGKNYFIFSHFPTA-QFBILLFUSA-N 1 1 350.466 3.194 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439314981 500884189 /nfs/dbraw/zinc/88/41/89/500884189.db2.gz IBBPVGOHVGKHGN-CQSZACIVSA-N 1 1 351.853 3.361 20 30 FGEDMO COc1cc2ccccc2cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000449007417 500893997 /nfs/dbraw/zinc/89/39/97/500893997.db2.gz CYASAERSWYLFOC-UHFFFAOYSA-N 1 1 358.445 3.437 20 30 FGEDMO Cc1ccc(CNC(=O)c2cc3ccccc3n2CC#N)c(N2CCCC2)[nH+]1 ZINC000611582898 506223273 /nfs/dbraw/zinc/22/32/73/506223273.db2.gz QBMHEFTWTZENFC-UHFFFAOYSA-N 1 1 373.460 3.399 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(OC)cc1OC ZINC000434841106 500900863 /nfs/dbraw/zinc/90/08/63/500900863.db2.gz FGGFQURVZSUTCF-UHFFFAOYSA-N 1 1 367.449 3.426 20 30 FGEDMO C[N@@H+](CCCOCc1ccccc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439470912 500901137 /nfs/dbraw/zinc/90/11/37/500901137.db2.gz FHMCKIDMTOACSS-NRFANRHFSA-N 1 1 363.461 3.202 20 30 FGEDMO C=CC[C@H]1[N@@H+](CC(=O)NCc2ccc(OCCOC)cc2)CCCC1(C)C ZINC000444789906 500901169 /nfs/dbraw/zinc/90/11/69/500901169.db2.gz GSOHLXCVJYBKTF-HXUWFJFHSA-N 1 1 374.525 3.395 20 30 FGEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CCCC1(C)C ZINC000444789908 500901285 /nfs/dbraw/zinc/90/12/85/500901285.db2.gz GSOYLRCSLUCYJA-SFHVURJKSA-N 1 1 357.498 3.394 20 30 FGEDMO C[C@@H](N[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611589742 506223941 /nfs/dbraw/zinc/22/39/41/506223941.db2.gz VWRUCKWYKZUZKM-VGSWGCGISA-N 1 1 367.468 3.375 20 30 FGEDMO CC[NH+]1CCN(C(=O)Cc2ccc(NC3CCC(C)(C#N)CC3)cc2)CC1 ZINC000449057314 500913941 /nfs/dbraw/zinc/91/39/41/500913941.db2.gz WTFNZDLYHNGCHK-UHFFFAOYSA-N 1 1 368.525 3.278 20 30 FGEDMO C[C@@H](N[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000611589742 506223945 /nfs/dbraw/zinc/22/39/45/506223945.db2.gz VWRUCKWYKZUZKM-VGSWGCGISA-N 1 1 367.468 3.375 20 30 FGEDMO N#CCCn1cc(C[N@@H+](CCO)CC2CCCCC2)c(-c2ccncc2)n1 ZINC000434984022 500918563 /nfs/dbraw/zinc/91/85/63/500918563.db2.gz UZCIDPWASTZFSZ-UHFFFAOYSA-N 1 1 367.497 3.233 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435131518 500936527 /nfs/dbraw/zinc/93/65/27/500936527.db2.gz ZNFMCNHCWDICLV-PXNSSMCTSA-N 1 1 366.513 3.163 20 30 FGEDMO CCN1CC[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435131518 500936545 /nfs/dbraw/zinc/93/65/45/500936545.db2.gz ZNFMCNHCWDICLV-PXNSSMCTSA-N 1 1 366.513 3.163 20 30 FGEDMO CCN1CC[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435131518 500936548 /nfs/dbraw/zinc/93/65/48/500936548.db2.gz ZNFMCNHCWDICLV-PXNSSMCTSA-N 1 1 366.513 3.163 20 30 FGEDMO C=CC[C@@H]1N(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CCCC1(C)C ZINC000445151758 500949251 /nfs/dbraw/zinc/94/92/51/500949251.db2.gz UFVPTQDYEXHDMI-MOPGFXCFSA-N 1 1 364.578 3.036 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449577294 501036963 /nfs/dbraw/zinc/03/69/63/501036963.db2.gz WEBIFRXGOZQBDD-INIZCTEOSA-N 1 1 360.351 3.044 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000435872362 501039482 /nfs/dbraw/zinc/03/94/82/501039482.db2.gz XUFIWZQAKVQRBL-KRWDZBQOSA-N 1 1 352.482 3.407 20 30 FGEDMO Cc1ccc([C@@H]([NH2+]CC#Cc2ccc(F)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000435891236 501042147 /nfs/dbraw/zinc/04/21/47/501042147.db2.gz CTEMUJCUIORWQH-UZLBHIALSA-N 1 1 359.466 3.250 20 30 FGEDMO Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc(C#N)c1[N+](=O)[O-] ZINC000596055457 506231068 /nfs/dbraw/zinc/23/10/68/506231068.db2.gz SXAUQYBWIZCMLI-LJQANCHMSA-N 1 1 366.421 3.088 20 30 FGEDMO Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(C#N)c1[N+](=O)[O-] ZINC000596055457 506231080 /nfs/dbraw/zinc/23/10/80/506231080.db2.gz SXAUQYBWIZCMLI-LJQANCHMSA-N 1 1 366.421 3.088 20 30 FGEDMO C=CCC1(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CCCC1 ZINC000449625048 501046122 /nfs/dbraw/zinc/04/61/22/501046122.db2.gz AOUQVQBLCJATEZ-UHFFFAOYSA-N 1 1 355.526 3.187 20 30 FGEDMO C=CCC[C@H](CO)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000449694002 501063992 /nfs/dbraw/zinc/06/39/92/501063992.db2.gz ADIZJJYZGHMCOY-OAHLLOKOSA-N 1 1 363.458 3.384 20 30 FGEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000592757945 506232415 /nfs/dbraw/zinc/23/24/15/506232415.db2.gz BAURYHXRQBWUEG-INIZCTEOSA-N 1 1 366.465 3.338 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@H+](CCCO)Cc2cccc(Cl)c2)c1 ZINC000441123358 501091074 /nfs/dbraw/zinc/09/10/74/501091074.db2.gz XYVUJGMTYSLFFI-UHFFFAOYSA-N 1 1 371.868 3.425 20 30 FGEDMO N#Cc1cccc(C#N)c1NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000436314683 501106143 /nfs/dbraw/zinc/10/61/43/501106143.db2.gz RMAZDTDRFCNBJR-UHFFFAOYSA-N 1 1 373.504 3.440 20 30 FGEDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1cccc(C#N)c1Br ZINC000449889610 501117965 /nfs/dbraw/zinc/11/79/65/501117965.db2.gz SVQQFBMDTJRODB-TZMCWYRMSA-N 1 1 362.271 3.020 20 30 FGEDMO C=CCOc1ccc(CC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000449891282 501118764 /nfs/dbraw/zinc/11/87/64/501118764.db2.gz VSZJRSKJJWPIAQ-UHFFFAOYSA-N 1 1 365.477 3.283 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000450011717 501154082 /nfs/dbraw/zinc/15/40/82/501154082.db2.gz WRGIZKIGFOPMIU-CQSZACIVSA-N 1 1 352.438 3.168 20 30 FGEDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc(Br)cc1C#N)CC2 ZINC000450583256 501160238 /nfs/dbraw/zinc/16/02/38/501160238.db2.gz UTHNJPGLOYNSLS-UHFFFAOYSA-N 1 1 362.271 3.021 20 30 FGEDMO C=CCN(Cc1ccccc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000611639851 506239604 /nfs/dbraw/zinc/23/96/04/506239604.db2.gz WAYYFIULJNVJAU-UHFFFAOYSA-N 1 1 371.525 3.419 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450149884 501194297 /nfs/dbraw/zinc/19/42/97/501194297.db2.gz UOHQFKUCUORHJR-WIYYLYMNSA-N 1 1 362.477 3.322 20 30 FGEDMO CC[N@@H+](CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(C)C ZINC000442199132 501206921 /nfs/dbraw/zinc/20/69/21/501206921.db2.gz MTAHOWGUYSAFPT-UHFFFAOYSA-N 1 1 358.364 3.309 20 30 FGEDMO C=CCC1(C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000450820831 501213614 /nfs/dbraw/zinc/21/36/14/501213614.db2.gz PCAHBOQPRLCEGG-QFIPXVFZSA-N 1 1 356.510 3.218 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450271439 501223169 /nfs/dbraw/zinc/22/31/69/501223169.db2.gz YGYWFNKDEQFCHC-GOSISDBHSA-N 1 1 374.448 3.091 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](CCCC(=O)c3ccc(F)cc3)C2)nc1 ZINC000451053495 501242187 /nfs/dbraw/zinc/24/21/87/501242187.db2.gz DJAOIPATEBZJRU-SFHVURJKSA-N 1 1 353.397 3.209 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451333118 501267912 /nfs/dbraw/zinc/26/79/12/501267912.db2.gz QXNOHDSZEBVOGP-GOSISDBHSA-N 1 1 357.841 3.206 20 30 FGEDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000451336963 501268678 /nfs/dbraw/zinc/26/86/78/501268678.db2.gz QEAYADUROSALKC-JOCHJYFZSA-N 1 1 364.445 3.237 20 30 FGEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)O ZINC000451362192 501275096 /nfs/dbraw/zinc/27/50/96/501275096.db2.gz PBHIGAKPOSOSAM-ZDUSSCGKSA-N 1 1 363.527 3.308 20 30 FGEDMO C=CCC[C@@H](CO)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000457661520 501280932 /nfs/dbraw/zinc/28/09/32/501280932.db2.gz STFYQCMTBAAXCZ-XLIONFOSSA-N 1 1 359.514 3.187 20 30 FGEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC000451555031 501322546 /nfs/dbraw/zinc/32/25/46/501322546.db2.gz ATQNIHIFRDTWID-KRWDZBQOSA-N 1 1 370.453 3.117 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC000451555031 501322549 /nfs/dbraw/zinc/32/25/49/501322549.db2.gz ATQNIHIFRDTWID-KRWDZBQOSA-N 1 1 370.453 3.117 20 30 FGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1C ZINC000451556433 501323565 /nfs/dbraw/zinc/32/35/65/501323565.db2.gz DHIROEDLTXRMAR-ZMSDIMECSA-N 1 1 361.511 3.376 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1C ZINC000451556433 501323566 /nfs/dbraw/zinc/32/35/66/501323566.db2.gz DHIROEDLTXRMAR-ZMSDIMECSA-N 1 1 361.511 3.376 20 30 FGEDMO CO[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1C ZINC000451563711 501325569 /nfs/dbraw/zinc/32/55/69/501325569.db2.gz KCUDSHRMBJDGBN-QWFCFKBJSA-N 1 1 357.498 3.295 20 30 FGEDMO C=CCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000453425722 501329130 /nfs/dbraw/zinc/32/91/30/501329130.db2.gz OQTCFBODMPKZHT-GOSISDBHSA-N 1 1 357.477 3.113 20 30 FGEDMO C=CCn1c(-c2ccccc2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000453450197 501334946 /nfs/dbraw/zinc/33/49/46/501334946.db2.gz QTZBNWMHQLMBAV-ZHALLVOQSA-N 1 1 351.498 3.298 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000453469332 501340803 /nfs/dbraw/zinc/34/08/03/501340803.db2.gz ZRVXTBGTLGAKEY-XSLAGTTESA-N 1 1 361.534 3.261 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCSC[C@H]2C2CC2)c1C ZINC000451646146 501343108 /nfs/dbraw/zinc/34/31/08/501343108.db2.gz HQEAZCIDRHVCQG-IBGZPJMESA-N 1 1 357.523 3.378 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCSC[C@H]2C2CC2)c1C ZINC000451646146 501343110 /nfs/dbraw/zinc/34/31/10/501343110.db2.gz HQEAZCIDRHVCQG-IBGZPJMESA-N 1 1 357.523 3.378 20 30 FGEDMO CCCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1OC ZINC000451653663 501345168 /nfs/dbraw/zinc/34/51/68/501345168.db2.gz TXLPDBKVVKTXBA-WOJBJXKFSA-N 1 1 357.498 3.234 20 30 FGEDMO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000458200421 501390688 /nfs/dbraw/zinc/39/06/88/501390688.db2.gz PKYKDYMQZIFKDI-UIAACRFSSA-N 1 1 351.425 3.070 20 30 FGEDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)C[C@H](C)O1 ZINC000455924468 501417240 /nfs/dbraw/zinc/41/72/40/501417240.db2.gz VYVPOVRCUKCWIU-CALCHBBNSA-N 1 1 370.497 3.106 20 30 FGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C1CCN(CC(F)(F)F)CC1 ZINC000452031939 501421549 /nfs/dbraw/zinc/42/15/49/501421549.db2.gz MINKIUHNAVAZKL-UHFFFAOYSA-N 1 1 355.404 3.286 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c1C ZINC000452042004 501423809 /nfs/dbraw/zinc/42/38/09/501423809.db2.gz SRACBEJSLXEVJB-UHFFFAOYSA-N 1 1 371.447 3.432 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)C2CCN(CC(F)(F)F)CC2)c1C ZINC000452042004 501423810 /nfs/dbraw/zinc/42/38/10/501423810.db2.gz SRACBEJSLXEVJB-UHFFFAOYSA-N 1 1 371.447 3.432 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)CN1CCCC1 ZINC000452095544 501434070 /nfs/dbraw/zinc/43/40/70/501434070.db2.gz LTPHPTOHINOJHC-INIZCTEOSA-N 1 1 374.554 3.341 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000452122834 501440083 /nfs/dbraw/zinc/44/00/83/501440083.db2.gz UWJZIFLCJCJGMM-IAGOWNOFSA-N 1 1 374.554 3.291 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@H](CCCO)C2)c1C#N ZINC000452125245 501441115 /nfs/dbraw/zinc/44/11/15/501441115.db2.gz JJZAKXLVQONYLS-KRWDZBQOSA-N 1 1 372.513 3.125 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@H](CCCO)C2)c1C#N ZINC000452125245 501441116 /nfs/dbraw/zinc/44/11/16/501441116.db2.gz JJZAKXLVQONYLS-KRWDZBQOSA-N 1 1 372.513 3.125 20 30 FGEDMO C=CC(C)(C)CNC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454278744 501500325 /nfs/dbraw/zinc/50/03/25/501500325.db2.gz PHGVBSOKWGCDCR-CALCHBBNSA-N 1 1 359.514 3.307 20 30 FGEDMO C=CC(C)(C)CNC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454278744 501500328 /nfs/dbraw/zinc/50/03/28/501500328.db2.gz PHGVBSOKWGCDCR-CALCHBBNSA-N 1 1 359.514 3.307 20 30 FGEDMO C=CCC1(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000458668077 501503404 /nfs/dbraw/zinc/50/34/04/501503404.db2.gz WVQIUNIZNQIXPA-FQEVSTJZSA-N 1 1 371.525 3.331 20 30 FGEDMO C=CC[C@@H](C)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454524689 501569346 /nfs/dbraw/zinc/56/93/46/501569346.db2.gz MFTNDPQCWRXQLS-UYAOXDASSA-N 1 1 371.525 3.179 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[NH+]2CC(C)(CC(F)(F)F)C2)c(OC)c1 ZINC000453040237 501606747 /nfs/dbraw/zinc/60/67/47/501606747.db2.gz PWSJTVGSRBPFLD-HNNXBMFYSA-N 1 1 373.415 3.438 20 30 FGEDMO CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000459264875 501621277 /nfs/dbraw/zinc/62/12/77/501621277.db2.gz ZUAALCGMSGWUBP-FPOVZHCZSA-N 1 1 354.498 3.210 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000454814547 501636075 /nfs/dbraw/zinc/63/60/75/501636075.db2.gz YIZAHOJAPGQRCI-QRWLVFNGSA-N 1 1 366.440 3.017 20 30 FGEDMO C[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000454911368 501653994 /nfs/dbraw/zinc/65/39/94/501653994.db2.gz LSXHKAUTRINRJX-HDYDNRTBSA-N 1 1 368.525 3.480 20 30 FGEDMO C=CCC1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCCC1 ZINC000454941350 501659280 /nfs/dbraw/zinc/65/92/80/501659280.db2.gz JWPVQRFIFYVIHW-PKOBYXMFSA-N 1 1 373.545 3.239 20 30 FGEDMO Cc1nsc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C#N ZINC000459561851 501676889 /nfs/dbraw/zinc/67/68/89/501676889.db2.gz NJVTVWTYZPQASA-SWLSCSKDSA-N 1 1 355.467 3.108 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c(C#N)c1C ZINC000459806298 501716879 /nfs/dbraw/zinc/71/68/79/501716879.db2.gz MSUQCKQYVMEYPD-LLVKDONJSA-N 1 1 365.499 3.085 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)c(C#N)c1C ZINC000459806298 501716880 /nfs/dbraw/zinc/71/68/80/501716880.db2.gz MSUQCKQYVMEYPD-LLVKDONJSA-N 1 1 365.499 3.085 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000596126261 506270451 /nfs/dbraw/zinc/27/04/51/506270451.db2.gz LMDYHQWYJFUIQN-OAQYLSRUSA-N 1 1 362.477 3.017 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000463512613 501747116 /nfs/dbraw/zinc/74/71/16/501747116.db2.gz AMIPBBYQXJOSQU-UHFFFAOYSA-N 1 1 354.450 3.122 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000463517251 501749678 /nfs/dbraw/zinc/74/96/78/501749678.db2.gz OZAZDCNKMSOKNE-UHFFFAOYSA-N 1 1 366.461 3.048 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000463517251 501749681 /nfs/dbraw/zinc/74/96/81/501749681.db2.gz OZAZDCNKMSOKNE-UHFFFAOYSA-N 1 1 366.461 3.048 20 30 FGEDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCC(C)(C)CCC#N)c2)CCO1 ZINC000485243745 501767301 /nfs/dbraw/zinc/76/73/01/501767301.db2.gz HGASDNUKYGESFV-KRWDZBQOSA-N 1 1 372.513 3.036 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC(C)(C)CCC#N)c2)CCO1 ZINC000485243745 501767308 /nfs/dbraw/zinc/76/73/08/501767308.db2.gz HGASDNUKYGESFV-KRWDZBQOSA-N 1 1 372.513 3.036 20 30 FGEDMO CC[N@@H+](Cc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1)C1CC1 ZINC000460264995 501774646 /nfs/dbraw/zinc/77/46/46/501774646.db2.gz PVZNGZKFMXALJA-UHFFFAOYSA-N 1 1 363.461 3.351 20 30 FGEDMO C=CC[N@H+](Cc1nc(C)c(C)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000477765341 501780460 /nfs/dbraw/zinc/78/04/60/501780460.db2.gz NLGJAHDQWVORHB-AWEZNQCLSA-N 1 1 354.483 3.485 20 30 FGEDMO C=CC[N@@H+](Cc1nc(C)c(C)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000477765341 501780466 /nfs/dbraw/zinc/78/04/66/501780466.db2.gz NLGJAHDQWVORHB-AWEZNQCLSA-N 1 1 354.483 3.485 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1=O ZINC000467512398 501813295 /nfs/dbraw/zinc/81/32/95/501813295.db2.gz OKYFLYFSEYMLJZ-MRXNPFEDSA-N 1 1 367.276 3.488 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1=O ZINC000467512398 501813300 /nfs/dbraw/zinc/81/33/00/501813300.db2.gz OKYFLYFSEYMLJZ-MRXNPFEDSA-N 1 1 367.276 3.488 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000463763135 501814728 /nfs/dbraw/zinc/81/47/28/501814728.db2.gz CDZFXLKXBZAHNS-QGZVFWFLSA-N 1 1 358.482 3.254 20 30 FGEDMO CC[N@@H+](CCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000477946660 501836239 /nfs/dbraw/zinc/83/62/39/501836239.db2.gz QADOCQYZXDLWFY-UHFFFAOYSA-N 1 1 355.404 3.086 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470889637 501843304 /nfs/dbraw/zinc/84/33/04/501843304.db2.gz FXPXWTYKJLFQJI-GOSISDBHSA-N 1 1 357.498 3.125 20 30 FGEDMO COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000460692715 501897299 /nfs/dbraw/zinc/89/72/99/501897299.db2.gz UYCCWHWBYHNLHB-UHFFFAOYSA-N 1 1 363.461 3.223 20 30 FGEDMO COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000460692715 501897303 /nfs/dbraw/zinc/89/73/03/501897303.db2.gz UYCCWHWBYHNLHB-UHFFFAOYSA-N 1 1 363.461 3.223 20 30 FGEDMO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000460776276 501918202 /nfs/dbraw/zinc/91/82/02/501918202.db2.gz IOMMYBYORGUDMV-WNRNVDISSA-N 1 1 361.534 3.118 20 30 FGEDMO COc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)ccc1[N+](=O)[O-] ZINC000485789571 501938553 /nfs/dbraw/zinc/93/85/53/501938553.db2.gz IBJUNJMWKWYYMF-UHFFFAOYSA-N 1 1 366.421 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IDYBNMZCRYMAIU-QGZVFWFLSA-N 1 1 372.513 3.137 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469738161 502524986 /nfs/dbraw/zinc/52/49/86/502524986.db2.gz VZTVOMXPKSODHI-CQSZACIVSA-N 1 1 371.403 3.024 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469738161 502524994 /nfs/dbraw/zinc/52/49/94/502524994.db2.gz VZTVOMXPKSODHI-CQSZACIVSA-N 1 1 371.403 3.024 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000469740746 502527620 /nfs/dbraw/zinc/52/76/20/502527620.db2.gz DBCUHYFZSVHWLQ-QWHCGFSZSA-N 1 1 372.296 3.453 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](CO)c2ccsc2)c1 ZINC000473173979 502536453 /nfs/dbraw/zinc/53/64/53/502536453.db2.gz OQSPQGHWPXLVNH-VQIMIIECSA-N 1 1 371.506 3.323 20 30 FGEDMO C=CCOc1ccc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1OC ZINC000462861813 502603695 /nfs/dbraw/zinc/60/36/95/502603695.db2.gz TXJXREOCBNIEJX-FQEVSTJZSA-N 1 1 368.477 3.439 20 30 FGEDMO 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C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513365524 502915628 /nfs/dbraw/zinc/91/56/28/502915628.db2.gz GHSYZBCLPXDBFQ-MRXNPFEDSA-N 1 1 366.440 3.237 20 30 FGEDMO C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000513376697 502918869 /nfs/dbraw/zinc/91/88/69/502918869.db2.gz PBXJXHYDMKJSFC-GOSISDBHSA-N 1 1 367.468 3.420 20 30 FGEDMO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000513376697 502918872 /nfs/dbraw/zinc/91/88/72/502918872.db2.gz PBXJXHYDMKJSFC-GOSISDBHSA-N 1 1 367.468 3.420 20 30 FGEDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1cccc(C#N)c1C)c1ccccc1 ZINC000509518143 502923915 /nfs/dbraw/zinc/92/39/15/502923915.db2.gz WNRDKLGSRVJYOI-NRFANRHFSA-N 1 1 365.477 3.306 20 30 FGEDMO CC(C)[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@@H+]1C ZINC000489326681 502930130 /nfs/dbraw/zinc/93/01/30/502930130.db2.gz GSCNGHSJHXTVFP-LJQANCHMSA-N 1 1 367.449 3.142 20 30 FGEDMO CC(C)[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@H+]1C ZINC000489326681 502930135 /nfs/dbraw/zinc/93/01/35/502930135.db2.gz GSCNGHSJHXTVFP-LJQANCHMSA-N 1 1 367.449 3.142 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC#Cc1ccccc1 ZINC000489401387 502948835 /nfs/dbraw/zinc/94/88/35/502948835.db2.gz WRRAABMFVUHOOG-DENIHFKCSA-N 1 1 361.489 3.248 20 30 FGEDMO COC(=O)c1ccc(F)c(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602907499 506345651 /nfs/dbraw/zinc/34/56/51/506345651.db2.gz MZKZYMMJSFRRMJ-UHFFFAOYSA-N 1 1 353.397 3.259 20 30 FGEDMO C=CCCCS(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000489699521 503014333 /nfs/dbraw/zinc/01/43/33/503014333.db2.gz LUFHNJGGDINDGC-PMACEKPBSA-N 1 1 362.539 3.269 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)ccc1OCc1cccc(C#N)c1 ZINC000506036530 503033697 /nfs/dbraw/zinc/03/36/97/503033697.db2.gz NHXDAGKUFKPVNJ-OXJNMPFZSA-N 1 1 366.461 3.349 20 30 FGEDMO CCCn1nccc1C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000501560041 503038451 /nfs/dbraw/zinc/03/84/51/503038451.db2.gz DCYACVOHAKDRHK-MRXNPFEDSA-N 1 1 365.481 3.371 20 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/nfs/dbraw/zinc/09/73/34/503097334.db2.gz QRRSPGHTJHNORD-IBGZPJMESA-N 1 1 352.482 3.196 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](Cc3cnc(-c4ccsc4)s3)CC2)nc1 ZINC000506475947 503121934 /nfs/dbraw/zinc/12/19/34/503121934.db2.gz CSUUVVPSRLECST-UHFFFAOYSA-N 1 1 367.503 3.460 20 30 FGEDMO COc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)nc1 ZINC000593039681 506353630 /nfs/dbraw/zinc/35/36/30/506353630.db2.gz CHQSTHISZWOUQJ-OAHLLOKOSA-N 1 1 364.449 3.168 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)cc1Cl ZINC000510623920 503157695 /nfs/dbraw/zinc/15/76/95/503157695.db2.gz CZKIKOMKJZYXMC-KRWDZBQOSA-N 1 1 350.890 3.201 20 30 FGEDMO Cn1cc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490375700 503164580 /nfs/dbraw/zinc/16/45/80/503164580.db2.gz UNUGESPZCVPFNG-IBGZPJMESA-N 1 1 363.509 3.122 20 30 FGEDMO N#Cc1ccc2ncc(C[NH+]3CCC(N4CCc5ccccc54)CC3)n2c1 ZINC000502330513 503180634 /nfs/dbraw/zinc/18/06/34/503180634.db2.gz FDAYOOPDYDZLLD-UHFFFAOYSA-N 1 1 357.461 3.233 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[NH2+]C2(c3ccccc3Cl)CCC2)cc1 ZINC000593043496 506356766 /nfs/dbraw/zinc/35/67/66/506356766.db2.gz ZLKPRLTZZPVKLS-UHFFFAOYSA-N 1 1 353.853 3.497 20 30 FGEDMO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000593049041 506359688 /nfs/dbraw/zinc/35/96/88/506359688.db2.gz KGRLZJCAJVFDBX-FQEVSTJZSA-N 1 1 372.900 3.393 20 30 FGEDMO N#CCCN(CC1CC1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000511148104 503268801 /nfs/dbraw/zinc/26/88/01/503268801.db2.gz WEJRYHOXZWHJND-SFHVURJKSA-N 1 1 361.436 3.296 20 30 FGEDMO Cc1cc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cn2cc[nH+]c12 ZINC000502859133 503290489 /nfs/dbraw/zinc/29/04/89/503290489.db2.gz BXLDMUSHKWTBGI-UHFFFAOYSA-N 1 1 361.405 3.262 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000491366793 503300362 /nfs/dbraw/zinc/30/03/62/503300362.db2.gz JKOFCKZGCHJPOM-UHFFFAOYSA-N 1 1 363.461 3.376 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000491366793 503300366 /nfs/dbraw/zinc/30/03/66/503300366.db2.gz JKOFCKZGCHJPOM-UHFFFAOYSA-N 1 1 363.461 3.376 20 30 FGEDMO CC(C)(C(=O)NCC[N@@H+]1CCc2sccc2C1)c1cc(F)cc(C#N)c1 ZINC000507502384 503310001 /nfs/dbraw/zinc/31/00/01/503310001.db2.gz ROSFMAQAMOBHDP-UHFFFAOYSA-N 1 1 371.481 3.211 20 30 FGEDMO CC(C)(C(=O)NCC[N@H+]1CCc2sccc2C1)c1cc(F)cc(C#N)c1 ZINC000507502384 503310005 /nfs/dbraw/zinc/31/00/05/503310005.db2.gz ROSFMAQAMOBHDP-UHFFFAOYSA-N 1 1 371.481 3.211 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000515502228 503352565 /nfs/dbraw/zinc/35/25/65/503352565.db2.gz ZXOLVALACTVFOU-LEWJYISDSA-N 1 1 350.462 3.395 20 30 FGEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CC#Cc4ccc(OC(F)(F)F)cc4)[C@H]1[C@H]3C2 ZINC000511657164 503363949 /nfs/dbraw/zinc/36/39/49/503363949.db2.gz QFBKMAPQWXCOGE-YECZKDOJSA-N 1 1 351.368 3.292 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000588884513 506367081 /nfs/dbraw/zinc/36/70/81/506367081.db2.gz ABEDNTRYNVIUBE-IAGOWNOFSA-N 1 1 350.466 3.439 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507833838 503376304 /nfs/dbraw/zinc/37/63/04/503376304.db2.gz MQVBWMQWWGVEST-INIZCTEOSA-N 1 1 374.444 3.300 20 30 FGEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000492660030 503379685 /nfs/dbraw/zinc/37/96/85/503379685.db2.gz XVHHFPXABLQQLQ-MRXNPFEDSA-N 1 1 365.271 3.091 20 30 FGEDMO N#Cc1ccc(OC2CC[NH+](CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000507871376 503384678 /nfs/dbraw/zinc/38/46/78/503384678.db2.gz DQGXLRDPBWUJIE-UHFFFAOYSA-N 1 1 367.493 3.408 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCCOC1 ZINC000593066416 506371275 /nfs/dbraw/zinc/37/12/75/506371275.db2.gz CUFKPINPRNXNOU-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO C=CCc1ccc(OCC(=O)NCC[N@@H+]2CCCC[C@H]2CC)c(OC)c1 ZINC000499672899 503454578 /nfs/dbraw/zinc/45/45/78/503454578.db2.gz YAXGXNRIOXORFO-GOSISDBHSA-N 1 1 360.498 3.183 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](Cc2cccc(Br)c2)CC2CC2)C1=O ZINC000499707847 503463683 /nfs/dbraw/zinc/46/36/83/503463683.db2.gz JPTAOTFWSIUAQU-KRWDZBQOSA-N 1 1 363.299 3.448 20 30 FGEDMO C=C(C)C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(CO)o1 ZINC000512164770 503474821 /nfs/dbraw/zinc/47/48/21/503474821.db2.gz DTOJLKIIKJKKAJ-UHFFFAOYSA-N 1 1 353.422 3.443 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)C1=O ZINC000499984972 503527069 /nfs/dbraw/zinc/52/70/69/503527069.db2.gz ATJAXZQETQNDOE-OAHLLOKOSA-N 1 1 370.280 3.041 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2c(Cl)cccc2Cl)C1=O ZINC000500015505 503534247 /nfs/dbraw/zinc/53/42/47/503534247.db2.gz DHIPIZDADOFZJF-CQSZACIVSA-N 1 1 370.280 3.041 20 30 FGEDMO C=CCn1c(C2CC2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000508684648 503542616 /nfs/dbraw/zinc/54/26/16/503542616.db2.gz XHUXKLLWKSHHMK-MRXNPFEDSA-N 1 1 367.497 3.233 20 30 FGEDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3cccc(C#N)c3F)CC2)C[C@H](C)O1 ZINC000512426086 503546594 /nfs/dbraw/zinc/54/65/94/503546594.db2.gz DVHYFKDDMJGUJT-CALCHBBNSA-N 1 1 359.489 3.409 20 30 FGEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000504290139 503549728 /nfs/dbraw/zinc/54/97/28/503549728.db2.gz QSOFSCFNZUUMNT-MOPGFXCFSA-N 1 1 369.509 3.077 20 30 FGEDMO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000508740161 503554634 /nfs/dbraw/zinc/55/46/34/503554634.db2.gz ORNCGLANCFMASF-LJQANCHMSA-N 1 1 364.497 3.389 20 30 FGEDMO C=CCn1c(COCC)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508803331 503566973 /nfs/dbraw/zinc/56/69/73/503566973.db2.gz WKAWUMIWEHNELW-MSOLQXFVSA-N 1 1 361.534 3.091 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000500166736 503569388 /nfs/dbraw/zinc/56/93/88/503569388.db2.gz IYCXKELIIBEUPP-SFHVURJKSA-N 1 1 363.864 3.409 20 30 FGEDMO C[C@H]1[C@H](NC(=O)NCC#Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000504445128 503576366 /nfs/dbraw/zinc/57/63/66/503576366.db2.gz XLAISZXNYOCCCQ-LAUBAEHRSA-N 1 1 365.452 3.139 20 30 FGEDMO C=C(C)C[N@@H+](CCn1cnc2ccccc2c1=O)Cc1cnn(C(C)C)c1 ZINC000512531528 503578110 /nfs/dbraw/zinc/57/81/10/503578110.db2.gz GVBSWXDZYRYFNX-UHFFFAOYSA-N 1 1 365.481 3.252 20 30 FGEDMO C=C(C)C[N@H+](CCn1cnc2ccccc2c1=O)Cc1cnn(C(C)C)c1 ZINC000512531528 503578115 /nfs/dbraw/zinc/57/81/15/503578115.db2.gz GVBSWXDZYRYFNX-UHFFFAOYSA-N 1 1 365.481 3.252 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Cc2c(F)cccc2C#N)C1 ZINC000512551917 503582353 /nfs/dbraw/zinc/58/23/53/503582353.db2.gz HIOCHCMIOZWKDD-SJORKVTESA-N 1 1 357.473 3.353 20 30 FGEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000500229935 503583381 /nfs/dbraw/zinc/58/33/81/503583381.db2.gz NDQPZWRRZKKMSA-IFMALSPDSA-N 1 1 350.462 3.352 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000494668285 503588322 /nfs/dbraw/zinc/58/83/22/503588322.db2.gz QWIZFBILMNMRPF-NRFANRHFSA-N 1 1 370.541 3.074 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1C ZINC000494702186 503596016 /nfs/dbraw/zinc/59/60/16/503596016.db2.gz HJURVOZBGGCCNB-FQEVSTJZSA-N 1 1 369.509 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FGEDMO N#Cc1ccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c(F)c1 ZINC000374010207 713893177 /nfs/dbraw/zinc/89/31/77/713893177.db2.gz NDEAFNMDOGLBPL-UHFFFAOYSA-N 1 1 363.234 3.493 20 30 FGEDMO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374942805 713954983 /nfs/dbraw/zinc/95/49/83/713954983.db2.gz FJBDZRKWFVAFLL-UONOGXRCSA-N 1 1 356.495 3.493 20 30 FGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2C)C1 ZINC000525386659 714348591 /nfs/dbraw/zinc/34/85/91/714348591.db2.gz BILHWIHLBCZPNH-INIZCTEOSA-N 1 1 363.527 3.046 20 30 FGEDMO C[C@@H](Nc1ncc(C#N)cc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000525462014 714355109 /nfs/dbraw/zinc/35/51/09/714355109.db2.gz VCQJZDIEXQMFHQ-RDTXWAMCSA-N 1 1 356.857 3.308 20 30 FGEDMO C[C@@H](Nc1ncc(C#N)cc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000525462014 714355113 /nfs/dbraw/zinc/35/51/13/714355113.db2.gz VCQJZDIEXQMFHQ-RDTXWAMCSA-N 1 1 356.857 3.308 20 30 FGEDMO C[C@H]1C[N@@H+](CCCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CCCO1 ZINC000617814326 714691648 /nfs/dbraw/zinc/69/16/48/714691648.db2.gz UMVQUHLVACPCSV-LBPRGKRZSA-N 1 1 370.280 3.096 20 30 FGEDMO OC[C@]1([N@H+](CC#Cc2cccc(Cl)c2)Cc2ccccc2)CCOC1 ZINC000625391684 715720525 /nfs/dbraw/zinc/72/05/25/715720525.db2.gz JCCTYBIHDJBDFE-OAQYLSRUSA-N 1 1 355.865 3.345 20 30 FGEDMO OC[C@]1([N@@H+](CC#Cc2cccc(Cl)c2)Cc2ccccc2)CCOC1 ZINC000625391684 715720527 /nfs/dbraw/zinc/72/05/27/715720527.db2.gz JCCTYBIHDJBDFE-OAQYLSRUSA-N 1 1 355.865 3.345 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(OC)c1 ZINC000625773899 715787728 /nfs/dbraw/zinc/78/77/28/715787728.db2.gz VWGZIDBIQFFHML-KSZLIROESA-N 1 1 363.523 3.133 20 30 FGEDMO C=CCSc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803495851 724452723 /nfs/dbraw/zinc/45/27/23/724452723.db2.gz UTKYJJIBUYUIMK-KRWDZBQOSA-N 1 1 350.484 3.033 20 30 FGEDMO OC[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000640044439 717652523 /nfs/dbraw/zinc/65/25/23/717652523.db2.gz SDDOVTQRNHJBBF-GXTWGEPZSA-N 1 1 367.289 3.039 20 30 FGEDMO OC[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000640044439 717652525 /nfs/dbraw/zinc/65/25/25/717652525.db2.gz SDDOVTQRNHJBBF-GXTWGEPZSA-N 1 1 367.289 3.039 20 30 FGEDMO C=CCCCS(=O)(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000644198184 718093826 /nfs/dbraw/zinc/09/38/26/718093826.db2.gz FRNZYFBPCDQOGF-VAMGGRTRSA-N 1 1 362.539 3.173 20 30 FGEDMO O=C(NCc1ccccc1)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000646056866 718260297 /nfs/dbraw/zinc/26/02/97/718260297.db2.gz JFJQERMPBWBGLN-LJQANCHMSA-N 1 1 352.865 3.330 20 30 FGEDMO N#Cc1cc2c(nc1N1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCOC2 ZINC001164629962 719105684 /nfs/dbraw/zinc/10/56/84/719105684.db2.gz UVSNFFUDOAJLPX-GCJKJVERSA-N 1 1 374.488 3.127 20 30 FGEDMO C=CCCn1cc(CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nn1 ZINC000657296156 719621013 /nfs/dbraw/zinc/62/10/13/719621013.db2.gz BFERODYTYUNUQU-UHFFFAOYSA-N 1 1 359.905 3.262 20 30 FGEDMO C=CC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1 ZINC000660674137 720097958 /nfs/dbraw/zinc/09/79/58/720097958.db2.gz CURQFLQYMJCMMI-QRVBRYPASA-N 1 1 351.535 3.121 20 30 FGEDMO C=CCOc1c(Br)cc(CNCC[C@@H]([NH3+])C(C)C)cc1OC ZINC000663498494 720519987 /nfs/dbraw/zinc/51/99/87/720519987.db2.gz NOVITIQFRPOUML-OAHLLOKOSA-N 1 1 371.319 3.486 20 30 FGEDMO C=CCC1(NC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CCCC1 ZINC000664140471 720598832 /nfs/dbraw/zinc/59/88/32/720598832.db2.gz BWKPLPXSIIJTEC-QZTJIDSGSA-N 1 1 351.535 3.312 20 30 FGEDMO C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000815652804 727089104 /nfs/dbraw/zinc/08/91/04/727089104.db2.gz UIRFQXZRTLFITP-NSHDSACASA-N 1 1 359.695 3.414 20 30 FGEDMO C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000815652804 727089109 /nfs/dbraw/zinc/08/91/09/727089109.db2.gz UIRFQXZRTLFITP-NSHDSACASA-N 1 1 359.695 3.414 20 30 FGEDMO Cc1ccc(C#N)c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165021547 721805281 /nfs/dbraw/zinc/80/52/81/721805281.db2.gz HLZWAIHCBNCPCT-JBACZVJFSA-N 1 1 361.493 3.394 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc(C#N)c3F)C[C@H]21 ZINC001165025535 721811917 /nfs/dbraw/zinc/81/19/17/721811917.db2.gz NKLFRAACHRWRSJ-QXAKKESOSA-N 1 1 365.456 3.224 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+](C)Cc2cn[nH]c2)cc1OC ZINC000678266085 721948185 /nfs/dbraw/zinc/94/81/85/721948185.db2.gz MAWNHRRLVUKVHP-UHFFFAOYSA-N 1 1 366.259 3.378 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)Cc2cn[nH]c2)cc1OC ZINC000678266085 721948186 /nfs/dbraw/zinc/94/81/86/721948186.db2.gz MAWNHRRLVUKVHP-UHFFFAOYSA-N 1 1 366.259 3.378 20 30 FGEDMO C#Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nc1 ZINC000728804277 722454592 /nfs/dbraw/zinc/45/45/92/722454592.db2.gz VQMKYNKVJTXSPP-IBGZPJMESA-N 1 1 353.853 3.283 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000729809271 722462659 /nfs/dbraw/zinc/46/26/59/722462659.db2.gz KAUXVFCJHVIOCL-MRXNPFEDSA-N 1 1 362.267 3.122 20 30 FGEDMO C[C@@H]1CSc2ccc(Br)cc2C1=NN1CC[NH+](C)CC1 ZINC000729931640 722463556 /nfs/dbraw/zinc/46/35/56/722463556.db2.gz PRYSICKJXYYAMN-LLVKDONJSA-N 1 1 354.317 3.142 20 30 FGEDMO C=C(Br)CNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732061755 722481181 /nfs/dbraw/zinc/48/11/81/722481181.db2.gz AISPMNRGEMPYPR-HNNXBMFYSA-N 1 1 365.315 3.354 20 30 FGEDMO C=CC[N@H+](CCCN1C(=O)CS/C1=C/C(=O)OC)CC1CCCCC1 ZINC000732667563 722487031 /nfs/dbraw/zinc/48/70/31/722487031.db2.gz QYYYTSUXYITHCY-QGOAFFKASA-N 1 1 366.527 3.035 20 30 FGEDMO CCCCCCCCCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000734655186 722509078 /nfs/dbraw/zinc/50/90/78/722509078.db2.gz KVECZOIJNLYHGJ-LJQANCHMSA-N 1 1 352.567 3.158 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000735311211 722514944 /nfs/dbraw/zinc/51/49/44/722514944.db2.gz MILZQXSWKSTNPZ-KRWDZBQOSA-N 1 1 361.873 3.219 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000735311211 722514945 /nfs/dbraw/zinc/51/49/45/722514945.db2.gz MILZQXSWKSTNPZ-KRWDZBQOSA-N 1 1 361.873 3.219 20 30 FGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000746457961 722603569 /nfs/dbraw/zinc/60/35/69/722603569.db2.gz XCHGQRSZSVPERS-AWEZNQCLSA-N 1 1 355.463 3.283 20 30 FGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000746457961 722603571 /nfs/dbraw/zinc/60/35/71/722603571.db2.gz XCHGQRSZSVPERS-AWEZNQCLSA-N 1 1 355.463 3.283 20 30 FGEDMO C[NH+]1CCN(c2ccc(NC(=O)C#Cc3ccccc3)cc2Cl)CC1 ZINC000747377517 722645414 /nfs/dbraw/zinc/64/54/14/722645414.db2.gz OIHBLXBJOHGXBP-UHFFFAOYSA-N 1 1 353.853 3.082 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000747818272 722661839 /nfs/dbraw/zinc/66/18/39/722661839.db2.gz LMKPEINMVMFBSL-UHFFFAOYSA-N 1 1 373.909 3.425 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000756557031 722966794 /nfs/dbraw/zinc/96/67/94/722966794.db2.gz ZNLFTNNTWDXEFE-QGZVFWFLSA-N 1 1 358.438 3.133 20 30 FGEDMO C#CCSCCNC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000761701361 723177552 /nfs/dbraw/zinc/17/75/52/723177552.db2.gz MSHFFVCNTCYYKR-PKOBYXMFSA-N 1 1 359.539 3.220 20 30 FGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000765833531 723543489 /nfs/dbraw/zinc/54/34/89/723543489.db2.gz MHSUVLJMOUFWIM-INIZCTEOSA-N 1 1 363.933 3.478 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000766640927 723584359 /nfs/dbraw/zinc/58/43/59/723584359.db2.gz YASGASJAJLFLSC-CZUORRHYSA-N 1 1 350.256 3.193 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CNC(=S)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767912704 723639400 /nfs/dbraw/zinc/63/94/00/723639400.db2.gz BSOWONMHKSNINB-IBGZPJMESA-N 1 1 354.523 3.006 20 30 FGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000775184061 723969371 /nfs/dbraw/zinc/96/93/71/723969371.db2.gz ULHZLPMUCABHGH-ZDUSSCGKSA-N 1 1 368.271 3.153 20 30 FGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(C)cc(Br)c1OCC(=O)OCC ZINC000775184061 723969373 /nfs/dbraw/zinc/96/93/73/723969373.db2.gz ULHZLPMUCABHGH-ZDUSSCGKSA-N 1 1 368.271 3.153 20 30 FGEDMO C#C[C@H](NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000799042734 723984176 /nfs/dbraw/zinc/98/41/76/723984176.db2.gz NDHBWBKKWICLFX-WMZOPIPTSA-N 1 1 352.400 3.215 20 30 FGEDMO Clc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1Br ZINC000776188082 724117169 /nfs/dbraw/zinc/11/71/69/724117169.db2.gz VNCYQLUZEAKUCW-CHWSQXEVSA-N 1 1 355.667 3.296 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000778165882 724305525 /nfs/dbraw/zinc/30/55/25/724305525.db2.gz VBVHVCXWQYCTST-UHFFFAOYSA-N 1 1 352.825 3.223 20 30 FGEDMO Cc1cc(Cl)c2ncc(C#N)c(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c2c1 ZINC000801668186 724323213 /nfs/dbraw/zinc/32/32/13/724323213.db2.gz WPUPATZPRCBLNU-HUUCEWRRSA-N 1 1 356.857 3.343 20 30 FGEDMO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000801925656 724346411 /nfs/dbraw/zinc/34/64/11/724346411.db2.gz PQSZSUDMEVBMCP-SWLSCSKDSA-N 1 1 370.234 3.357 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000801925656 724346419 /nfs/dbraw/zinc/34/64/19/724346419.db2.gz PQSZSUDMEVBMCP-SWLSCSKDSA-N 1 1 370.234 3.357 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](CCCSCC#N)C2)C1 ZINC000802012287 724353401 /nfs/dbraw/zinc/35/34/01/724353401.db2.gz SWUUILVBGIJAPP-GOSISDBHSA-N 1 1 353.532 3.356 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000810049687 725284841 /nfs/dbraw/zinc/28/48/41/725284841.db2.gz ZJXLEIVQSYQDMW-KMFMINBZSA-N 1 1 367.287 3.123 20 30 FGEDMO C#CCN(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000812037243 725387888 /nfs/dbraw/zinc/38/78/88/725387888.db2.gz SWEGGMKWIHCDKU-UHFFFAOYSA-N 1 1 354.281 3.232 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(Br)c3O)C2)nc1 ZINC000814170964 726944349 /nfs/dbraw/zinc/94/43/49/726944349.db2.gz FQIHYEVWPXIHSA-AWEZNQCLSA-N 1 1 374.238 3.075 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(Br)c3O)C2)nc1 ZINC000814170964 726944352 /nfs/dbraw/zinc/94/43/52/726944352.db2.gz FQIHYEVWPXIHSA-AWEZNQCLSA-N 1 1 374.238 3.075 20 30 FGEDMO CC(=NNc1cncc(Br)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814886992 727008496 /nfs/dbraw/zinc/00/84/96/727008496.db2.gz LYJHZAFOUONFFQ-UHFFFAOYSA-N 1 1 359.271 3.368 20 30 FGEDMO C#CC[N@@H+](CCOCCC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000815047124 727025669 /nfs/dbraw/zinc/02/56/69/727025669.db2.gz BLCSGHDAUFPVHV-INIZCTEOSA-N 1 1 363.255 3.138 20 30 FGEDMO C#CC[N@H+](CCOCCC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000815047124 727025671 /nfs/dbraw/zinc/02/56/71/727025671.db2.gz BLCSGHDAUFPVHV-INIZCTEOSA-N 1 1 363.255 3.138 20 30 FGEDMO C#CCNC(=O)CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000815084361 727034631 /nfs/dbraw/zinc/03/46/31/727034631.db2.gz CWVSESTTXCKUCK-SJORKVTESA-N 1 1 352.400 3.413 20 30 FGEDMO C=CC[N@H+](CCOC)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000815100282 727037959 /nfs/dbraw/zinc/03/79/59/727037959.db2.gz CZFSELLAINUHTR-OAHLLOKOSA-N 1 1 362.695 3.444 20 30 FGEDMO N#CCCOCC[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000815121131 727040905 /nfs/dbraw/zinc/04/09/05/727040905.db2.gz 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C[C@H]1C[NH+](Cc2cccc(NC(=O)C#Cc3cccs3)c2)C[C@H](C)O1 ZINC000826101182 729405242 /nfs/dbraw/zinc/40/52/42/729405242.db2.gz PGUIUSZKTGSFES-HOTGVXAUSA-N 1 1 354.475 3.348 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)C1CCOCC1 ZINC000827570923 729431860 /nfs/dbraw/zinc/43/18/60/729431860.db2.gz UYNDTXABVLCJOA-MRXNPFEDSA-N 1 1 356.447 3.057 20 30 FGEDMO COC(=O)C1(C#N)CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000828965802 729450412 /nfs/dbraw/zinc/45/04/12/729450412.db2.gz WXSBZIYCWFPJBA-UHFFFAOYSA-N 1 1 374.238 3.280 20 30 FGEDMO C#CC[C@@H]1CCC[N@H+](CCN2c3cccc4cccc(c34)S2(=O)=O)C1 ZINC000829794416 729512421 /nfs/dbraw/zinc/51/24/21/729512421.db2.gz XKDDQCUADTUWGT-MRXNPFEDSA-N 1 1 354.475 3.084 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831576359 729652839 /nfs/dbraw/zinc/65/28/39/729652839.db2.gz FDPFFTKPAPYJKK-TZMCWYRMSA-N 1 1 371.790 3.054 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831576359 729652840 /nfs/dbraw/zinc/65/28/40/729652840.db2.gz FDPFFTKPAPYJKK-TZMCWYRMSA-N 1 1 371.790 3.054 20 30 FGEDMO COc1ccc2nc(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)sc2c1 ZINC000844371639 730708974 /nfs/dbraw/zinc/70/89/74/730708974.db2.gz PKOXAXFZYVKBKN-KRWDZBQOSA-N 1 1 353.447 3.342 20 30 FGEDMO COc1ccc2nc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)sc2c1 ZINC000844371639 730708976 /nfs/dbraw/zinc/70/89/76/730708976.db2.gz PKOXAXFZYVKBKN-KRWDZBQOSA-N 1 1 353.447 3.342 20 30 FGEDMO CC#CCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462431 730722028 /nfs/dbraw/zinc/72/20/28/730722028.db2.gz XKBNBKCIXXFOTI-KURKYZTESA-N 1 1 350.503 3.327 20 30 FGEDMO C=C[C@H](C)ONC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000845621987 730872099 /nfs/dbraw/zinc/87/20/99/730872099.db2.gz CRAMDLOXLRSNRR-VUCTXSBTSA-N 1 1 353.413 3.294 20 30 FGEDMO C=C[C@H](C)ONC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000845621987 730872103 /nfs/dbraw/zinc/87/21/03/730872103.db2.gz CRAMDLOXLRSNRR-VUCTXSBTSA-N 1 1 353.413 3.294 20 30 FGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000847020247 731007748 /nfs/dbraw/zinc/00/77/48/731007748.db2.gz AHZKWYHSLUCHAP-GFCCVEGCSA-N 1 1 354.353 3.093 20 30 FGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000847020247 731007752 /nfs/dbraw/zinc/00/77/52/731007752.db2.gz AHZKWYHSLUCHAP-GFCCVEGCSA-N 1 1 354.353 3.093 20 30 FGEDMO C#C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000847024116 731008162 /nfs/dbraw/zinc/00/81/62/731008162.db2.gz PKSYNGGRFDICFN-LBPRGKRZSA-N 1 1 353.235 3.262 20 30 FGEDMO C#C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000847029576 731008962 /nfs/dbraw/zinc/00/89/62/731008962.db2.gz KSZMSHBVWJNVSA-GJZGRUSLSA-N 1 1 355.507 3.418 20 30 FGEDMO C[C@H]1CC(N=Nc2ncc(Br)cn2)C[N@H+]1Cc1ccccc1 ZINC000848421389 731163206 /nfs/dbraw/zinc/16/32/06/731163206.db2.gz VVAHNTJUPHAMOT-LBPRGKRZSA-N 1 1 360.259 3.301 20 30 FGEDMO C#CC[N@H+](CCC(OC)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC000851771668 731495638 /nfs/dbraw/zinc/49/56/38/731495638.db2.gz LVOJJGWXHHHACB-HNNXBMFYSA-N 1 1 368.271 3.217 20 30 FGEDMO C#CCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000852160547 731550598 /nfs/dbraw/zinc/55/05/98/731550598.db2.gz FAWNTUUWSJSSCC-QZTJIDSGSA-N 1 1 350.503 3.138 20 30 FGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852410187 731581088 /nfs/dbraw/zinc/58/10/88/731581088.db2.gz JMEYXOWSXLYTCE-FUHWJXTLSA-N 1 1 352.519 3.283 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1CN(c2cc(Br)cnc2C#N)C1 ZINC000853618203 731732740 /nfs/dbraw/zinc/73/27/40/731732740.db2.gz FJGADDPXQHSCLX-UHFFFAOYSA-N 1 1 357.255 3.036 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856780205 732059584 /nfs/dbraw/zinc/05/95/84/732059584.db2.gz FSDYXBMFQLZZFS-ZJUUUORDSA-N 1 1 362.783 3.165 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856782290 732060153 /nfs/dbraw/zinc/06/01/53/732060153.db2.gz ZYIHUHZUABZZNT-RFAUZJTJSA-N 1 1 374.794 3.213 20 30 FGEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860037511 732438480 /nfs/dbraw/zinc/43/84/80/732438480.db2.gz VZBQWFOEAJJHNU-XQLPTFJDSA-N 1 1 371.319 3.472 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1csc(N(C)c2ccccc2)n1 ZINC000860529847 732528692 /nfs/dbraw/zinc/52/86/92/732528692.db2.gz MOSRWCHBCVXQFQ-INIZCTEOSA-N 1 1 355.463 3.165 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1csc(N(C)c2ccccc2)n1 ZINC000860529847 732528694 /nfs/dbraw/zinc/52/86/94/732528694.db2.gz MOSRWCHBCVXQFQ-INIZCTEOSA-N 1 1 355.463 3.165 20 30 FGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000862445399 732837960 /nfs/dbraw/zinc/83/79/60/732837960.db2.gz SFJPRYXCZPCQMV-OAHLLOKOSA-N 1 1 363.299 3.131 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(CC(=O)OC)cc1 ZINC000862446952 732838185 /nfs/dbraw/zinc/83/81/85/732838185.db2.gz KOZOAHDYIJWQTH-UHFFFAOYSA-N 1 1 357.837 3.357 20 30 FGEDMO CC(=NNCC(F)(F)C(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000863179151 732919755 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CCOCCOCc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876930904 736164014 /nfs/dbraw/zinc/16/40/14/736164014.db2.gz GQZPTHXRTDIKSD-UHFFFAOYSA-N 1 1 359.857 3.450 20 30 FGEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878209614 736789520 /nfs/dbraw/zinc/78/95/20/736789520.db2.gz HWESEOPIXWPZQP-CQSZACIVSA-N 1 1 350.413 3.371 20 30 FGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCSC2(CCOCC2)C1)c1ccccc1 ZINC000878443976 736842495 /nfs/dbraw/zinc/84/24/95/736842495.db2.gz SUYVDMJZCMYEJU-HXUWFJFHSA-N 1 1 358.507 3.025 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1C ZINC000879555965 737006243 /nfs/dbraw/zinc/00/62/43/737006243.db2.gz BUMVQQOBXSDCPV-ZWKOTPCHSA-N 1 1 357.523 3.235 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cn2)CCC1 ZINC000886193796 739227510 /nfs/dbraw/zinc/22/75/10/739227510.db2.gz CGNMDYKFMHQVIX-GDBMZVCRSA-N 1 1 364.287 3.426 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cn2)CCC1 ZINC000886193796 739227513 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FGEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2nc(Cl)c(C#N)s2)C1 ZINC000888407990 739517872 /nfs/dbraw/zinc/51/78/72/739517872.db2.gz ATHLSGORWFUTHR-LLVKDONJSA-N 1 1 355.895 3.302 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2nc(Cl)c(C#N)s2)c1 ZINC000888409909 739518073 /nfs/dbraw/zinc/51/80/73/739518073.db2.gz UQNZMGQSLIJDEP-UHFFFAOYSA-N 1 1 363.874 3.442 20 30 FGEDMO C[C@@]1(CNC(=O)C2(C#N)CCSCC2)CCC[N@H+]1Cc1ccccc1 ZINC000935493202 761884599 /nfs/dbraw/zinc/88/45/99/761884599.db2.gz ZGXQUFPBKGHJHE-IBGZPJMESA-N 1 1 357.523 3.194 20 30 FGEDMO N#Cc1cc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000895152021 742382029 /nfs/dbraw/zinc/38/20/29/742382029.db2.gz KXONCBSSPNXXKY-UXHICEINSA-N 1 1 353.491 3.095 20 30 FGEDMO C=CCC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)[C@]1(C)CCCCO1 ZINC000902880088 743783429 /nfs/dbraw/zinc/78/34/29/743783429.db2.gz CLSCHJAQSIEJHA-ANULTFPQSA-N 1 1 350.547 3.248 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000948706222 762343721 /nfs/dbraw/zinc/34/37/21/762343721.db2.gz XKIDIUASFWGWOY-RRFJBIMHSA-N 1 1 350.915 3.451 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000948840171 762351752 /nfs/dbraw/zinc/35/17/52/762351752.db2.gz AGWXLQIKDWIAIQ-DAXLHBMMSA-N 1 1 354.922 3.423 20 30 FGEDMO CCCN(CCC)c1ccc(C=[NH+]NC(=S)N[C@@H](C)COC)cc1 ZINC000916280728 758062367 /nfs/dbraw/zinc/06/23/67/758062367.db2.gz DDXVVCPYLMQNEC-HNNXBMFYSA-N 1 1 350.532 3.146 20 30 FGEDMO N#CC1(c2ccccn2)CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000930332826 760581703 /nfs/dbraw/zinc/58/17/03/760581703.db2.gz IWSQXYBSEOMWOD-HOCLYGCPSA-N 1 1 353.388 3.439 20 30 FGEDMO C#CC1(O)CC[NH+](Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000931142953 760788575 /nfs/dbraw/zinc/78/85/75/760788575.db2.gz BOGVMKJTPRYRAF-UHFFFAOYSA-N 1 1 361.239 3.064 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931917425 761005470 /nfs/dbraw/zinc/00/54/70/761005470.db2.gz YWEXYMBRJPAZJT-HNNXBMFYSA-N 1 1 358.335 3.312 20 30 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3.271 20 30 FGEDMO COC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000060208208 493918801 /nfs/dbraw/zinc/91/88/01/493918801.db2.gz QPOIBSTVPWIGRC-UHFFFAOYSA-N 1 1 365.433 3.194 20 30 FGEDMO COC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000060208208 493918807 /nfs/dbraw/zinc/91/88/07/493918807.db2.gz QPOIBSTVPWIGRC-UHFFFAOYSA-N 1 1 365.433 3.194 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081569658 493919490 /nfs/dbraw/zinc/91/94/90/493919490.db2.gz JMIJSBSEWKOWAR-GJZGRUSLSA-N 1 1 362.905 3.202 20 30 FGEDMO C=CCCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000076734151 493962374 /nfs/dbraw/zinc/96/23/74/493962374.db2.gz PHYHXARVMDVIIY-GOSISDBHSA-N 1 1 358.482 3.409 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000051425566 493969272 /nfs/dbraw/zinc/96/92/72/493969272.db2.gz YXCYJIIIOFKATM-HXUWFJFHSA-N 1 1 354.425 3.296 20 30 FGEDMO Cc1ccccc1OCCC[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000051472912 493972584 /nfs/dbraw/zinc/97/25/84/493972584.db2.gz VDZASJATVDDPMR-LJQANCHMSA-N 1 1 354.450 3.007 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1 ZINC000032466656 493991940 /nfs/dbraw/zinc/99/19/40/493991940.db2.gz VLFAMOFGWIROCC-UHFFFAOYSA-N 1 1 365.502 3.457 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1 ZINC000032466656 493991944 /nfs/dbraw/zinc/99/19/44/493991944.db2.gz VLFAMOFGWIROCC-UHFFFAOYSA-N 1 1 365.502 3.457 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000051876732 493992220 /nfs/dbraw/zinc/99/22/20/493992220.db2.gz XLYKXXDNFQRJFC-INIZCTEOSA-N 1 1 353.466 3.288 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000051876732 493992223 /nfs/dbraw/zinc/99/22/23/493992223.db2.gz XLYKXXDNFQRJFC-INIZCTEOSA-N 1 1 353.466 3.288 20 30 FGEDMO COc1cccc([C@H](CNC(=O)c2sccc2C#N)[NH+]2CCCC2)c1 ZINC000052033973 494001670 /nfs/dbraw/zinc/00/16/70/494001670.db2.gz BSWRUIMWEKQUEV-KRWDZBQOSA-N 1 1 355.463 3.195 20 30 FGEDMO C=CC[N@H+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)CC1CCCCC1 ZINC000069859689 494023466 /nfs/dbraw/zinc/02/34/66/494023466.db2.gz FJVZTTFULCTDOF-UHFFFAOYSA-N 1 1 357.498 3.395 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCOc3ccccc3C2)cc1Cl ZINC000077233925 494038484 /nfs/dbraw/zinc/03/84/84/494038484.db2.gz VVZVFRKXWIOWMD-UHFFFAOYSA-N 1 1 355.825 3.435 20 30 FGEDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc(C#N)cs3)c2)C[C@H](C)O1 ZINC000084112705 494048674 /nfs/dbraw/zinc/04/86/74/494048674.db2.gz JLRKADUSZUOXKK-KBPBESRZSA-N 1 1 355.463 3.481 20 30 FGEDMO CCC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000084166303 494052987 /nfs/dbraw/zinc/05/29/87/494052987.db2.gz SGWSXBGBWVDTGA-UHFFFAOYSA-N 1 1 354.498 3.356 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000063483313 494059382 /nfs/dbraw/zinc/05/93/82/494059382.db2.gz YRACJTOAVKTGPZ-UHFFFAOYSA-N 1 1 359.433 3.205 20 30 FGEDMO C=CCC[C@H](O)C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000034367299 494065228 /nfs/dbraw/zinc/06/52/28/494065228.db2.gz VZZQNRVUFWJYJB-ZDUSSCGKSA-N 1 1 363.811 3.203 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000052823869 494066061 /nfs/dbraw/zinc/06/60/61/494066061.db2.gz YMNZGRRVUGGLDI-UHFFFAOYSA-N 1 1 354.429 3.158 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000052823869 494066062 /nfs/dbraw/zinc/06/60/62/494066062.db2.gz YMNZGRRVUGGLDI-UHFFFAOYSA-N 1 1 354.429 3.158 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000064249461 494109522 /nfs/dbraw/zinc/10/95/22/494109522.db2.gz LZGWEWJOZVAHEG-QGZVFWFLSA-N 1 1 358.873 3.003 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000064249461 494109528 /nfs/dbraw/zinc/10/95/28/494109528.db2.gz LZGWEWJOZVAHEG-QGZVFWFLSA-N 1 1 358.873 3.003 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Nc3cccc(C#N)c3)c2)CCO1 ZINC000072033190 494118007 /nfs/dbraw/zinc/11/80/07/494118007.db2.gz ADSNPNDZYODLGL-MRXNPFEDSA-N 1 1 364.449 3.101 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3cccc(C#N)c3)c2)CCO1 ZINC000072033190 494118009 /nfs/dbraw/zinc/11/80/09/494118009.db2.gz ADSNPNDZYODLGL-MRXNPFEDSA-N 1 1 364.449 3.101 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000086297677 494148351 /nfs/dbraw/zinc/14/83/51/494148351.db2.gz GXTAOFGHLVZNGF-AWEZNQCLSA-N 1 1 363.425 3.174 20 30 FGEDMO N#CCSCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000072515054 494189738 /nfs/dbraw/zinc/18/97/38/494189738.db2.gz SYUFWVQKXRJHJS-ZDUSSCGKSA-N 1 1 352.891 3.032 20 30 FGEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000072685464 494233007 /nfs/dbraw/zinc/23/30/07/494233007.db2.gz NFSDSTIUOHFQCH-SXLOBPIMSA-N 1 1 355.482 3.412 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000054443675 494236832 /nfs/dbraw/zinc/23/68/32/494236832.db2.gz KSKBOLWOYQRZJB-MRXNPFEDSA-N 1 1 372.513 3.234 20 30 FGEDMO N#Cc1c(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cn2ccccc12 ZINC000065964611 494262023 /nfs/dbraw/zinc/26/20/23/494262023.db2.gz MTHYAFCSUWLHNF-UHFFFAOYSA-N 1 1 364.493 3.472 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868882 494272892 /nfs/dbraw/zinc/27/28/92/494272892.db2.gz SMJGQXXADDDTOJ-FPOVZHCZSA-N 1 1 357.542 3.253 20 30 FGEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)N(CCC#N)CCC#N)o1 ZINC000072896054 494277291 /nfs/dbraw/zinc/27/72/91/494277291.db2.gz SVYPLUCXAXVYRK-FUHWJXTLSA-N 1 1 356.470 3.271 20 30 FGEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)N(CCC#N)CCC#N)o1 ZINC000072896054 494277296 /nfs/dbraw/zinc/27/72/96/494277296.db2.gz SVYPLUCXAXVYRK-FUHWJXTLSA-N 1 1 356.470 3.271 20 30 FGEDMO N#CCCN(Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000078419237 494294267 /nfs/dbraw/zinc/29/42/67/494294267.db2.gz WHYVQVJEHZCXGK-FQEVSTJZSA-N 1 1 362.477 3.236 20 30 FGEDMO CCn1cc(C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cn1 ZINC000072983046 494299655 /nfs/dbraw/zinc/29/96/55/494299655.db2.gz GFEMXXMWBXDCEW-UHFFFAOYSA-N 1 1 371.510 3.176 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000577369405 505714250 /nfs/dbraw/zinc/71/42/50/505714250.db2.gz CAFGFPYSEYRAJF-CTNGQTDRSA-N 1 1 369.509 3.441 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc2c(c1)OCO2 ZINC000014814079 494325666 /nfs/dbraw/zinc/32/56/66/494325666.db2.gz HFMXOTCJIQGDHF-UHFFFAOYSA-N 1 1 371.824 3.401 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc2c(c1)OCO2 ZINC000014814079 494325671 /nfs/dbraw/zinc/32/56/71/494325671.db2.gz HFMXOTCJIQGDHF-UHFFFAOYSA-N 1 1 371.824 3.401 20 30 FGEDMO C=CCNC(=O)c1ccc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)nc1 ZINC000078689534 494343578 /nfs/dbraw/zinc/34/35/78/494343578.db2.gz FVOIFGBJECOEEW-GOSISDBHSA-N 1 1 364.493 3.098 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000580261871 505715812 /nfs/dbraw/zinc/71/58/12/505715812.db2.gz GKFOZRBOPNFPOL-AWEZNQCLSA-N 1 1 366.440 3.347 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000580261871 505715817 /nfs/dbraw/zinc/71/58/17/505715817.db2.gz GKFOZRBOPNFPOL-AWEZNQCLSA-N 1 1 366.440 3.347 20 30 FGEDMO C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)NCCC1CCCCC1 ZINC000568556473 505721520 /nfs/dbraw/zinc/72/15/20/505721520.db2.gz CDLZKMJEBXOFSU-UHFFFAOYSA-N 1 1 357.498 3.093 20 30 FGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)NCCC1CCCCC1 ZINC000568556473 505721522 /nfs/dbraw/zinc/72/15/22/505721522.db2.gz CDLZKMJEBXOFSU-UHFFFAOYSA-N 1 1 357.498 3.093 20 30 FGEDMO C[NH+]1CCC(C#N)(NC(=O)c2csc(-c3ccccc3Cl)n2)CC1 ZINC000067152558 494485836 /nfs/dbraw/zinc/48/58/36/494485836.db2.gz IIORWKJRWVLMBK-UHFFFAOYSA-N 1 1 360.870 3.181 20 30 FGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000090616691 494488073 /nfs/dbraw/zinc/48/80/73/494488073.db2.gz UTFZAGFLKFUBBA-KRWDZBQOSA-N 1 1 357.498 3.148 20 30 FGEDMO C=CCOc1cccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000056594103 494531699 /nfs/dbraw/zinc/53/16/99/494531699.db2.gz AZFXQMBXKVWJAB-HOTGVXAUSA-N 1 1 361.486 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C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000026205517 494808671 /nfs/dbraw/zinc/80/86/71/494808671.db2.gz PRWJQAMXOBPCGD-MRXNPFEDSA-N 1 1 362.376 3.031 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)cc1 ZINC000093016258 494808834 /nfs/dbraw/zinc/80/88/34/494808834.db2.gz JCZKUCDQACNJIE-UHFFFAOYSA-N 1 1 369.538 3.201 20 30 FGEDMO CC(C)CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 ZINC000109013505 494821561 /nfs/dbraw/zinc/82/15/61/494821561.db2.gz AXPRWNANABRPMT-UHFFFAOYSA-N 1 1 351.454 3.193 20 30 FGEDMO C[N@@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC000577521117 505743986 /nfs/dbraw/zinc/74/39/86/505743986.db2.gz OCXVBKGZJIAUPU-SFHVURJKSA-N 1 1 353.853 3.211 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC000577521117 505743990 /nfs/dbraw/zinc/74/39/90/505743990.db2.gz OCXVBKGZJIAUPU-SFHVURJKSA-N 1 1 353.853 3.211 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1sccc1C#N ZINC000109313004 494858340 /nfs/dbraw/zinc/85/83/40/494858340.db2.gz KZNPIQRCEPELRD-KRWDZBQOSA-N 1 1 354.479 3.141 20 30 FGEDMO N#Cc1ccccc1N1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000126935969 494864668 /nfs/dbraw/zinc/86/46/68/494864668.db2.gz DYGTXICBGIPJMW-UHFFFAOYSA-N 1 1 361.424 3.410 20 30 FGEDMO CCC[N@@H+](CCO)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000116877362 494865478 /nfs/dbraw/zinc/86/54/78/494865478.db2.gz PVURROTVXPZADR-UHFFFAOYSA-N 1 1 354.450 3.350 20 30 FGEDMO COc1cc(C[N@@H+](C)CC(C)(C)O)ccc1OCc1cccc(C#N)c1 ZINC000116879775 494866237 /nfs/dbraw/zinc/86/62/37/494866237.db2.gz HPBPADLHUGWXPN-UHFFFAOYSA-N 1 1 354.450 3.349 20 30 FGEDMO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093561951 494900539 /nfs/dbraw/zinc/90/05/39/494900539.db2.gz MTBJCDRCPBJOOV-GOSISDBHSA-N 1 1 357.498 3.237 20 30 FGEDMO CC[C@H]1CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000132644856 494903781 /nfs/dbraw/zinc/90/37/81/494903781.db2.gz CNSDKAQNQSQWHF-PMACEKPBSA-N 1 1 354.498 3.354 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109769655 494916311 /nfs/dbraw/zinc/91/63/11/494916311.db2.gz UQGPNBIWBJWJMH-MRXNPFEDSA-N 1 1 367.449 3.168 20 30 FGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H](CC(N)=O)C3)c2)c1 ZINC000093809099 494923538 /nfs/dbraw/zinc/92/35/38/494923538.db2.gz WJHCJKJTIUAIOT-IBGZPJMESA-N 1 1 363.461 3.225 20 30 FGEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093889180 494931691 /nfs/dbraw/zinc/93/16/91/494931691.db2.gz IKVJACCXKQOPMB-PWECECGKSA-N 1 1 352.463 3.136 20 30 FGEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093889180 494931692 /nfs/dbraw/zinc/93/16/92/494931692.db2.gz IKVJACCXKQOPMB-PWECECGKSA-N 1 1 352.463 3.136 20 30 FGEDMO CC[NH+](CC)CCOc1ccccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000127349930 494932145 /nfs/dbraw/zinc/93/21/45/494932145.db2.gz HREJRCAHPWSROX-UHFFFAOYSA-N 1 1 373.478 3.080 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000574344175 505751332 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3.481 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+](CCCCO)C2CC2)sc2c1CCCC2 ZINC000118844510 495047467 /nfs/dbraw/zinc/04/74/67/495047467.db2.gz VWSMCNMWXFKZSK-UHFFFAOYSA-N 1 1 361.511 3.064 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128196614 495059506 /nfs/dbraw/zinc/05/95/06/495059506.db2.gz YAWZOLOHUYPXDZ-DYVFJYSZSA-N 1 1 371.403 3.460 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000128196614 495059509 /nfs/dbraw/zinc/05/95/09/495059509.db2.gz YAWZOLOHUYPXDZ-DYVFJYSZSA-N 1 1 371.403 3.460 20 30 FGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1)CCC2 ZINC000111311419 495063221 /nfs/dbraw/zinc/06/32/21/495063221.db2.gz UQUBLYBELQVVRF-YJBOKZPZSA-N 1 1 357.479 3.072 20 30 FGEDMO N#Cc1cccc(OCCC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000128351678 495084429 /nfs/dbraw/zinc/08/44/29/495084429.db2.gz VRFQFKBPBAXAGS-JOCHJYFZSA-N 1 1 360.461 3.210 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1Br ZINC000123192447 495095281 /nfs/dbraw/zinc/09/52/81/495095281.db2.gz YMXORSSEDXIUJR-CYBMUJFWSA-N 1 1 364.287 3.442 20 30 FGEDMO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000119160582 495107209 /nfs/dbraw/zinc/10/72/09/495107209.db2.gz FPFQCSLYFVQKDL-XLIONFOSSA-N 1 1 367.493 3.191 20 30 FGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000134227439 495124256 /nfs/dbraw/zinc/12/42/56/495124256.db2.gz KNHKOHKVQADSLP-LAUBAEHRSA-N 1 1 363.461 3.257 20 30 FGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000134227439 495124259 /nfs/dbraw/zinc/12/42/59/495124259.db2.gz KNHKOHKVQADSLP-LAUBAEHRSA-N 1 1 363.461 3.257 20 30 FGEDMO C=CCNc1ncc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000128641085 495128608 /nfs/dbraw/zinc/12/86/08/495128608.db2.gz LPNDRUJBMKSSSR-QGZVFWFLSA-N 1 1 370.522 3.035 20 30 FGEDMO CC[C@@H](O)C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000134474243 495155316 /nfs/dbraw/zinc/15/53/16/495155316.db2.gz ASHYBJKBFTYQFC-LJQANCHMSA-N 1 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20 30 FGEDMO CN1CCO[C@H]([C@H]([NH2+]Cc2cc(C#N)cs2)c2ccc(Cl)cc2)C1 ZINC000154334837 495584390 /nfs/dbraw/zinc/58/43/90/495584390.db2.gz DLORKGIMDGRSOO-ZWKOTPCHSA-N 1 1 361.898 3.435 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185467271 495587592 /nfs/dbraw/zinc/58/75/92/495587592.db2.gz UXHBERKJWUVOOO-JKSUJKDBSA-N 1 1 368.506 3.326 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185480986 495592586 /nfs/dbraw/zinc/59/25/86/495592586.db2.gz AFMPMKMYNUIYKV-DLBZAZTESA-N 1 1 374.554 3.158 20 30 FGEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000185480965 495592674 /nfs/dbraw/zinc/59/26/74/495592674.db2.gz AFMPMKMYNUIYKV-SJORKVTESA-N 1 1 374.554 3.158 20 30 FGEDMO CC(C)CCn1nc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c2ccccc21 ZINC000574519349 505791217 /nfs/dbraw/zinc/79/12/17/505791217.db2.gz OWYDGJMRDGIAOK-UHFFFAOYSA-N 1 1 373.464 3.287 20 30 FGEDMO CO[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000170820569 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FGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000177317538 496016009 /nfs/dbraw/zinc/01/60/09/496016009.db2.gz MMTBRQSKDRORMR-UXHICEINSA-N 1 1 368.525 3.109 20 30 FGEDMO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000574627395 505818469 /nfs/dbraw/zinc/81/84/69/505818469.db2.gz HFUJWTHERKKOED-ZIAGYGMSSA-N 1 1 354.376 3.027 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CC1(O)CCCC1 ZINC000152323766 496116402 /nfs/dbraw/zinc/11/64/02/496116402.db2.gz WAQJHRFNFKHNRP-OAHLLOKOSA-N 1 1 361.511 3.256 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CC1CCOCC1 ZINC000155958909 496117871 /nfs/dbraw/zinc/11/78/71/496117871.db2.gz MRSDRVJMTZGBEZ-HNNXBMFYSA-N 1 1 361.511 3.235 20 30 FGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000156042971 496141482 /nfs/dbraw/zinc/14/14/82/496141482.db2.gz JMHBBSBLDIOKID-HOCLYGCPSA-N 1 1 353.401 3.499 20 30 FGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000156042971 496141486 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COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000157614118 496515920 /nfs/dbraw/zinc/51/59/20/496515920.db2.gz VTVFWSYJWAQUCY-UHFFFAOYSA-N 1 1 367.424 3.100 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000157726657 496539447 /nfs/dbraw/zinc/53/94/47/496539447.db2.gz CXBMRWSUGQNTPA-KRWDZBQOSA-N 1 1 364.449 3.121 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)ccc1Cl ZINC000153932454 496628304 /nfs/dbraw/zinc/62/83/04/496628304.db2.gz CMKVCRMBJMZWRS-LJQANCHMSA-N 1 1 361.873 3.008 20 30 FGEDMO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000154008726 496652874 /nfs/dbraw/zinc/65/28/74/496652874.db2.gz NSLSORTVWXGGOH-IRXDYDNUSA-N 1 1 361.873 3.430 20 30 FGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C12CCC2 ZINC000154008726 496652877 /nfs/dbraw/zinc/65/28/77/496652877.db2.gz NSLSORTVWXGGOH-IRXDYDNUSA-N 1 1 361.873 3.430 20 30 FGEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000176040521 496655099 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RUTSZXDAOXJQFM-CRAIPNDOSA-N 1 1 363.889 3.070 20 30 FGEDMO COc1ccc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000271874248 497477418 /nfs/dbraw/zinc/47/74/18/497477418.db2.gz NQUJEGIOYLNERH-UHFFFAOYSA-N 1 1 365.477 3.330 20 30 FGEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000575049711 505910436 /nfs/dbraw/zinc/91/04/36/505910436.db2.gz LMHCRGPZEQSRDO-UHFFFAOYSA-N 1 1 359.426 3.410 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2C)[C@@H](C)C1 ZINC000245673297 497496299 /nfs/dbraw/zinc/49/62/99/497496299.db2.gz FLKNSHQODCIRFC-MAUKXSAKSA-N 1 1 358.486 3.125 20 30 FGEDMO CN1CCO[C@H]([C@@H]([NH2+]Cc2cc(C#N)cs2)c2ccc(Cl)cc2)C1 ZINC000245672852 497496399 /nfs/dbraw/zinc/49/63/99/497496399.db2.gz DLORKGIMDGRSOO-ROUUACIJSA-N 1 1 361.898 3.435 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 ZINC000279644740 497496475 /nfs/dbraw/zinc/49/64/75/497496475.db2.gz WZQWHXWQPQTLJH-OAQYLSRUSA-N 1 1 360.461 3.009 20 30 FGEDMO 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/nfs/dbraw/zinc/57/84/28/497578428.db2.gz JCKLUZZFLPFKDQ-OXJNMPFZSA-N 1 1 351.498 3.121 20 30 FGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936064 497578432 /nfs/dbraw/zinc/57/84/32/497578432.db2.gz JCKLUZZFLPFKDQ-OXJNMPFZSA-N 1 1 351.498 3.121 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936064 497578437 /nfs/dbraw/zinc/57/84/37/497578437.db2.gz JCKLUZZFLPFKDQ-OXJNMPFZSA-N 1 1 351.498 3.121 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccc([N@@H+]2CCCC[C@H]2C)cc1C ZINC000246088700 497616982 /nfs/dbraw/zinc/61/69/82/497616982.db2.gz JAEVHYGQOVJNHF-HZPDHXFCSA-N 1 1 358.486 3.186 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccc([N@H+]2CCCC[C@H]2C)cc1C ZINC000246088700 497616988 /nfs/dbraw/zinc/61/69/88/497616988.db2.gz JAEVHYGQOVJNHF-HZPDHXFCSA-N 1 1 358.486 3.186 20 30 FGEDMO COCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000272414747 497622678 /nfs/dbraw/zinc/62/26/78/497622678.db2.gz GYVIWZPUWDYBFW-WBMJQRKESA-N 1 1 361.829 3.499 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)N2CCC(C)(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272425139 497624623 /nfs/dbraw/zinc/62/46/23/497624623.db2.gz DTQWFXFZQRYNHG-IEBWSBKVSA-N 1 1 354.498 3.375 20 30 FGEDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000246136245 497633692 /nfs/dbraw/zinc/63/36/92/497633692.db2.gz FQEFYAPHEYMYLA-CVEARBPZSA-N 1 1 361.511 3.235 20 30 FGEDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000246136245 497633699 /nfs/dbraw/zinc/63/36/99/497633699.db2.gz FQEFYAPHEYMYLA-CVEARBPZSA-N 1 1 361.511 3.235 20 30 FGEDMO C[C@H](NC(=O)N1CCC(C)(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272602311 497677447 /nfs/dbraw/zinc/67/74/47/497677447.db2.gz UJCWGSXNOYYADX-HKUYNNGSSA-N 1 1 354.498 3.232 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287666 497685107 /nfs/dbraw/zinc/68/51/07/497685107.db2.gz CUXKGSNBPSICME-MOPGFXCFSA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287666 497685111 /nfs/dbraw/zinc/68/51/11/497685111.db2.gz CUXKGSNBPSICME-MOPGFXCFSA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287666 497685124 /nfs/dbraw/zinc/68/51/24/497685124.db2.gz CUXKGSNBPSICME-MOPGFXCFSA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287666 497685130 /nfs/dbraw/zinc/68/51/30/497685130.db2.gz CUXKGSNBPSICME-MOPGFXCFSA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272646822 497689585 /nfs/dbraw/zinc/68/95/85/497689585.db2.gz DHIGUDIMCHNDNY-RYRKJORJSA-N 1 1 355.482 3.095 20 30 FGEDMO CC(C)C[C@@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268183160 497695146 /nfs/dbraw/zinc/69/51/46/497695146.db2.gz OCJURSWYEBEXNH-DOTOQJQBSA-N 1 1 366.465 3.412 20 30 FGEDMO CC(C)C[C@@H]1CCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 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HUBWTDOTZJONEA-GDBMZVCRSA-N 1 1 359.495 3.318 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000246802562 497812459 /nfs/dbraw/zinc/81/24/59/497812459.db2.gz BAJLVZITJAOTAF-IFXJQAMLSA-N 1 1 367.428 3.124 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000246812295 497813043 /nfs/dbraw/zinc/81/30/43/497813043.db2.gz DHNCDMNURNQNTD-WIYYLYMNSA-N 1 1 355.482 3.051 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246926643 497820701 /nfs/dbraw/zinc/82/07/01/497820701.db2.gz WKGARXGBEHOJHO-ICSRJNTNSA-N 1 1 355.482 3.051 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000280610475 497825442 /nfs/dbraw/zinc/82/54/42/497825442.db2.gz OTQUAEIZIQZCAK-QKLQHJQFSA-N 1 1 369.509 3.202 20 30 FGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000280610475 497825447 /nfs/dbraw/zinc/82/54/47/497825447.db2.gz OTQUAEIZIQZCAK-QKLQHJQFSA-N 1 1 369.509 3.202 20 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497901842 /nfs/dbraw/zinc/90/18/42/497901842.db2.gz XSFVNCJXTQCQFP-WBVHZDCISA-N 1 1 371.506 3.203 20 30 FGEDMO C[N@H+]1CCO[C@H](C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC000329786235 497901847 /nfs/dbraw/zinc/90/18/47/497901847.db2.gz XSFVNCJXTQCQFP-WBVHZDCISA-N 1 1 371.506 3.203 20 30 FGEDMO CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)C1(C#N)CCCCC1 ZINC000329815691 497911667 /nfs/dbraw/zinc/91/16/67/497911667.db2.gz NXKOQGVSPVGRKB-QRVBRYPASA-N 1 1 361.530 3.077 20 30 FGEDMO C[N@@H+](CCCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000280831507 497915283 /nfs/dbraw/zinc/91/52/83/497915283.db2.gz OEULTUVQYKOTGL-LJQANCHMSA-N 1 1 352.482 3.011 20 30 FGEDMO C=CCC[C@@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000581270896 505947917 /nfs/dbraw/zinc/94/79/17/505947917.db2.gz WMLDIURVOWYWLO-WOJBJXKFSA-N 1 1 371.525 3.143 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000301089256 497946640 /nfs/dbraw/zinc/94/66/40/497946640.db2.gz MQPBAAADMOYFQF-UHFFFAOYSA-N 1 1 354.385 3.318 20 30 FGEDMO CCOc1ccc(C[NH+]2CCN(c3ccc(Cl)c(C#N)n3)CC2)cc1 ZINC000301137925 497967136 /nfs/dbraw/zinc/96/71/36/497967136.db2.gz DQSHEYKALYWVAZ-UHFFFAOYSA-N 1 1 356.857 3.328 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329975613 497977287 /nfs/dbraw/zinc/97/72/87/497977287.db2.gz ZTCYEWVIBPLORS-XSEXMBABSA-N 1 1 350.463 3.071 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329975613 497977293 /nfs/dbraw/zinc/97/72/93/497977293.db2.gz ZTCYEWVIBPLORS-XSEXMBABSA-N 1 1 350.463 3.071 20 30 FGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2sccc2C#N)C1 ZINC000280994648 497979500 /nfs/dbraw/zinc/97/95/00/497979500.db2.gz MDKZHECNMFWRMZ-DZUCGIPZSA-N 1 1 361.511 3.210 20 30 FGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2sccc2C#N)C1 ZINC000280994648 497979504 /nfs/dbraw/zinc/97/95/04/497979504.db2.gz MDKZHECNMFWRMZ-DZUCGIPZSA-N 1 1 361.511 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C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000369407159 499400546 /nfs/dbraw/zinc/40/05/46/499400546.db2.gz LREOGQTXYBAXIF-BEFAXECRSA-N 1 1 361.511 3.114 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)/C=C/c2ccccc2C#N)[C@@H]1c1cccs1 ZINC000369564518 499418507 /nfs/dbraw/zinc/41/85/07/499418507.db2.gz JUOXYYLHXHDWEJ-QNICDLNXSA-N 1 1 351.475 3.442 20 30 FGEDMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000372336428 499422345 /nfs/dbraw/zinc/42/23/45/499422345.db2.gz GNODZAFBXYHPJO-YFVAEKQCSA-N 1 1 355.526 3.467 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC23CCOCC3)c1C ZINC000372456212 499437209 /nfs/dbraw/zinc/43/72/09/499437209.db2.gz DNLUUEAFZKWUQN-UHFFFAOYSA-N 1 1 355.482 3.195 20 30 FGEDMO N#Cc1cccc([C@H]2CN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CCO2)c1 ZINC000378301414 499499908 /nfs/dbraw/zinc/49/99/08/499499908.db2.gz KHYWJWSVLJKQBT-TZIWHRDSSA-N 1 1 367.493 3.113 20 30 FGEDMO N#CCCCn1cc(C(=O)NCc2c[nH+]c3n2CCCC3)c2ccccc21 ZINC000375290594 499503497 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350.466 3.111 20 30 FGEDMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000378537262 499529551 /nfs/dbraw/zinc/52/95/51/499529551.db2.gz JFTXNFYLBWRYGO-INIZCTEOSA-N 1 1 356.857 3.253 20 30 FGEDMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000378537262 499529554 /nfs/dbraw/zinc/52/95/54/499529554.db2.gz JFTXNFYLBWRYGO-INIZCTEOSA-N 1 1 356.857 3.253 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000378584990 499534440 /nfs/dbraw/zinc/53/44/40/499534440.db2.gz VKOODBGMDNIAEN-AEFFLSMTSA-N 1 1 365.481 3.014 20 30 FGEDMO N#Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000378615458 499538087 /nfs/dbraw/zinc/53/80/87/499538087.db2.gz LSSHFPXNJPCEFY-MSOLQXFVSA-N 1 1 363.421 3.105 20 30 FGEDMO N#CC[C@H](CC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000375693093 499545725 /nfs/dbraw/zinc/54/57/25/499545725.db2.gz ODXZQCQVQWZCCV-QGZVFWFLSA-N 1 1 353.491 3.310 20 30 FGEDMO N#CC[C@H](CC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000375693093 499545726 /nfs/dbraw/zinc/54/57/26/499545726.db2.gz ODXZQCQVQWZCCV-QGZVFWFLSA-N 1 1 353.491 3.310 20 30 FGEDMO N#Cc1c(F)cccc1N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000404146370 499569824 /nfs/dbraw/zinc/56/98/24/499569824.db2.gz LOBDIUTWIBIBDQ-SFTDATJTSA-N 1 1 351.425 3.177 20 30 FGEDMO N#Cc1cccc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1F ZINC000404179639 499570087 /nfs/dbraw/zinc/57/00/87/499570087.db2.gz IUBNHRLJGNXFKX-RTWAWAEBSA-N 1 1 365.452 3.173 20 30 FGEDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000375975202 499573287 /nfs/dbraw/zinc/57/32/87/499573287.db2.gz LYSAKPABSDPBBW-RDGPPVDQSA-N 1 1 371.481 3.112 20 30 FGEDMO C#CCCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000376273621 499596445 /nfs/dbraw/zinc/59/64/45/499596445.db2.gz LHONOGVQIXDVSF-WMZOPIPTSA-N 1 1 368.930 3.056 20 30 FGEDMO C=CCN(C(=O)CCc1cscn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377571481 499705917 /nfs/dbraw/zinc/70/59/17/499705917.db2.gz DFAMCBQBBAKIFY-IBGZPJMESA-N 1 1 355.507 3.365 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377624562 499712175 /nfs/dbraw/zinc/71/21/75/499712175.db2.gz PQLJJXGAKUCLOO-OWCLPIDISA-N 1 1 374.510 3.066 20 30 FGEDMO CC(C)(C)C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000582205013 506157650 /nfs/dbraw/zinc/15/76/50/506157650.db2.gz TYZNGWDQQRMBPF-UHFFFAOYSA-N 1 1 371.506 3.275 20 30 FGEDMO CC(C)(C)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000582205013 506157652 /nfs/dbraw/zinc/15/76/52/506157652.db2.gz TYZNGWDQQRMBPF-UHFFFAOYSA-N 1 1 371.506 3.275 20 30 FGEDMO CCc1nc(CN2CCC[C@@H]([N@@H+](C)[C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000377716673 499724415 /nfs/dbraw/zinc/72/44/15/499724415.db2.gz GNTDSLZCGTZXAE-CRAIPNDOSA-N 1 1 353.470 3.161 20 30 FGEDMO Cc1cnn([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)c1 ZINC000377760199 499729636 /nfs/dbraw/zinc/72/96/36/499729636.db2.gz IULRSDAVAMLBJZ-LJQANCHMSA-N 1 1 365.481 3.002 20 30 FGEDMO Cc1cnn([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)C2)c1 ZINC000377760199 499729638 /nfs/dbraw/zinc/72/96/38/499729638.db2.gz IULRSDAVAMLBJZ-LJQANCHMSA-N 1 1 365.481 3.002 20 30 FGEDMO C[C@H](C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)CO)c1ccccc1 ZINC000411734924 499784394 /nfs/dbraw/zinc/78/43/94/499784394.db2.gz BUFKKVKDOAIINV-MSOLQXFVSA-N 1 1 365.477 3.373 20 30 FGEDMO CS(=O)(=O)c1ccccc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000414500734 499799773 /nfs/dbraw/zinc/79/97/73/499799773.db2.gz CMABNRWWSIYOCX-UHFFFAOYSA-N 1 1 358.463 3.062 20 30 FGEDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000411964222 499807247 /nfs/dbraw/zinc/80/72/47/499807247.db2.gz YOVHXWYJZWYLLT-LJQANCHMSA-N 1 1 361.489 3.296 20 30 FGEDMO C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000411982935 499809551 /nfs/dbraw/zinc/80/95/51/499809551.db2.gz KXFCOAFKOOIWNU-QGZVFWFLSA-N 1 1 373.460 3.315 20 30 FGEDMO C[C@@H]1CN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@H+]1Cc1ccccc1 ZINC000411982935 499809553 /nfs/dbraw/zinc/80/95/53/499809553.db2.gz KXFCOAFKOOIWNU-QGZVFWFLSA-N 1 1 373.460 3.315 20 30 FGEDMO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412314253 499843943 /nfs/dbraw/zinc/84/39/43/499843943.db2.gz JTXMGYQKQXLZGE-UHFFFAOYSA-N 1 1 353.510 3.461 20 30 FGEDMO C[C@@H]1C[NH+](C(C)(C)CNc2cc(C(F)(F)F)cnc2C#N)C[C@@H](C)O1 ZINC000413034060 499905483 /nfs/dbraw/zinc/90/54/83/499905483.db2.gz LYHADRRHLSYRDT-VXGBXAGGSA-N 1 1 356.392 3.272 20 30 FGEDMO Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(C#N)cc1[N+](=O)[O-] ZINC000413042195 499906318 /nfs/dbraw/zinc/90/63/18/499906318.db2.gz VGJJVUHKMXLLEV-UHFFFAOYSA-N 1 1 366.421 3.219 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429020771 499984911 /nfs/dbraw/zinc/98/49/11/499984911.db2.gz NZOMSXNVMGXVTE-NXEZDXNNSA-N 1 1 374.916 3.201 20 30 FGEDMO N#C[C@@H](CCc1ccccc1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425008296 499991891 /nfs/dbraw/zinc/99/18/91/499991891.db2.gz OVXZMKMFHLWKAY-XPWALMASSA-N 1 1 373.500 3.492 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429111477 500004754 /nfs/dbraw/zinc/00/47/54/500004754.db2.gz CPMNMZVECBNGMP-CZUORRHYSA-N 1 1 351.903 3.267 20 30 FGEDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)COc3ccccc3C#N)sc2C1 ZINC000425087771 500015577 /nfs/dbraw/zinc/01/55/77/500015577.db2.gz VCJUUDFBJVMYOL-UHFFFAOYSA-N 1 1 370.478 3.189 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000425206790 500044282 /nfs/dbraw/zinc/04/42/82/500044282.db2.gz KMHZKPHBQRXXIX-UHFFFAOYSA-N 1 1 354.385 3.318 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425454602 500111196 /nfs/dbraw/zinc/11/11/96/500111196.db2.gz BAAFWTAHVOPZPV-JXFKEZNVSA-N 1 1 365.518 3.017 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425454602 500111200 /nfs/dbraw/zinc/11/12/00/500111200.db2.gz BAAFWTAHVOPZPV-JXFKEZNVSA-N 1 1 365.518 3.017 20 30 FGEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000425510767 500128440 /nfs/dbraw/zinc/12/84/40/500128440.db2.gz KOCQBHXAISHMQQ-UHFFFAOYSA-N 1 1 371.868 3.361 20 30 FGEDMO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H]1c1ccc(F)cc1F ZINC000425510110 500128590 /nfs/dbraw/zinc/12/85/90/500128590.db2.gz LYFAPDFKTHRWQS-DLBZAZTESA-N 1 1 374.362 3.364 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@H]1c1ccc(F)cc1F ZINC000425510110 500128595 /nfs/dbraw/zinc/12/85/95/500128595.db2.gz LYFAPDFKTHRWQS-DLBZAZTESA-N 1 1 374.362 3.364 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000429715688 500129451 /nfs/dbraw/zinc/12/94/51/500129451.db2.gz NUZJKUNSZYEIFL-AWEZNQCLSA-N 1 1 368.319 3.216 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000425529864 500133973 /nfs/dbraw/zinc/13/39/73/500133973.db2.gz CUETXFFYRCDTGC-AWEZNQCLSA-N 1 1 352.394 3.122 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000425529864 500133976 /nfs/dbraw/zinc/13/39/76/500133976.db2.gz CUETXFFYRCDTGC-AWEZNQCLSA-N 1 1 352.394 3.122 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000425531477 500134272 /nfs/dbraw/zinc/13/42/72/500134272.db2.gz HMTCXFCIGFSASM-OAHLLOKOSA-N 1 1 358.463 3.034 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000425531477 500134275 /nfs/dbraw/zinc/13/42/75/500134275.db2.gz HMTCXFCIGFSASM-OAHLLOKOSA-N 1 1 358.463 3.034 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000425529870 500134404 /nfs/dbraw/zinc/13/44/04/500134404.db2.gz CUXRMKFRLWEMCB-CQSZACIVSA-N 1 1 352.394 3.488 20 30 FGEDMO COc1ccccc1COC[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425537302 500137437 /nfs/dbraw/zinc/13/74/37/500137437.db2.gz QMBZVBOQQBQSAC-OXJNMPFZSA-N 1 1 354.450 3.137 20 30 FGEDMO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n(C(C)(C)C)n1 ZINC000425540188 500138676 /nfs/dbraw/zinc/13/86/76/500138676.db2.gz VCVPLOVRRZEUGS-OAHLLOKOSA-N 1 1 353.470 3.450 20 30 FGEDMO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n(C(C)(C)C)n1 ZINC000425540188 500138679 /nfs/dbraw/zinc/13/86/79/500138679.db2.gz VCVPLOVRRZEUGS-OAHLLOKOSA-N 1 1 353.470 3.450 20 30 FGEDMO COC(=O)c1cnc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)s1 ZINC000414069900 500144569 /nfs/dbraw/zinc/14/45/69/500144569.db2.gz KSJTYMAKHYGKJK-GFCCVEGCSA-N 1 1 361.492 3.385 20 30 FGEDMO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000425836671 500203431 /nfs/dbraw/zinc/20/34/31/500203431.db2.gz BSACRQPYCZPCRO-GSEOLPGOSA-N 1 1 354.498 3.373 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2(CC#N)CC2)C1 ZINC000430191930 500206720 /nfs/dbraw/zinc/20/67/20/500206720.db2.gz MFQJDAWHXOKVEZ-KRWDZBQOSA-N 1 1 354.498 3.412 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000419394794 500360883 /nfs/dbraw/zinc/36/08/83/500360883.db2.gz ANYWNYDFWJDHGQ-ZWKOTPCHSA-N 1 1 352.438 3.131 20 30 FGEDMO 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501962203 /nfs/dbraw/zinc/96/22/03/501962203.db2.gz ZNKCNQSYMOYZCE-CTNGQTDRSA-N 1 1 369.509 3.342 20 30 FGEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000471455311 502033638 /nfs/dbraw/zinc/03/36/38/502033638.db2.gz OBWLSWADBMQCCM-QZTJIDSGSA-N 1 1 365.477 3.352 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)cc1OC ZINC000482442962 502068615 /nfs/dbraw/zinc/06/86/15/502068615.db2.gz DRZWOVRGVJYCDT-OAQYLSRUSA-N 1 1 361.482 3.420 20 30 FGEDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000486177422 502073443 /nfs/dbraw/zinc/07/34/43/502073443.db2.gz QVTWUFONLOIMFM-KSSFIOAISA-N 1 1 367.424 3.413 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](OC)C[C@H]2CC(=O)OCC)cc1Cl ZINC000482495052 502086445 /nfs/dbraw/zinc/08/64/45/502086445.db2.gz GURDDUFXJYZFJV-JKSUJKDBSA-N 1 1 367.873 3.447 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2CC(=O)OCC)cc1Cl ZINC000482495052 502086452 /nfs/dbraw/zinc/08/64/52/502086452.db2.gz GURDDUFXJYZFJV-JKSUJKDBSA-N 1 1 367.873 3.447 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840322 502115314 /nfs/dbraw/zinc/11/53/14/502115314.db2.gz SMJGQXXADDDTOJ-PZJWPPBQSA-N 1 1 357.542 3.253 20 30 FGEDMO Cc1cc(C#N)ccc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461449767 502119601 /nfs/dbraw/zinc/11/96/01/502119601.db2.gz YSTUVWBFNNNULO-SFTDATJTSA-N 1 1 359.473 3.461 20 30 FGEDMO C=CCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1OC ZINC000468832050 502198490 /nfs/dbraw/zinc/19/84/90/502198490.db2.gz DBBXDKATMGJESX-UHFFFAOYSA-N 1 1 367.492 3.015 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CCC[C@@H]3C#N)cc2)C1 ZINC000461970274 502258054 /nfs/dbraw/zinc/25/80/54/502258054.db2.gz YIUSVRCFVCEQHK-AHRSYUTCSA-N 1 1 354.498 3.410 20 30 FGEDMO COc1ccc([C@@H](CNC(=O)c2ccc(C#N)s2)[NH+]2CCCC2)cc1 ZINC000486831500 502278307 /nfs/dbraw/zinc/27/83/07/502278307.db2.gz IVKBLAKUGYHBHT-QGZVFWFLSA-N 1 1 355.463 3.195 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CCCOC2)C1 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YGCVAQNWXHOOGC-NRFANRHFSA-N 1 1 357.498 3.114 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000582585735 506307950 /nfs/dbraw/zinc/30/79/50/506307950.db2.gz HMBXNVOLDPOYRJ-SFHVURJKSA-N 1 1 357.498 3.307 20 30 FGEDMO CC(C)[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC[N@H+]1C ZINC000487077376 502350822 /nfs/dbraw/zinc/35/08/22/502350822.db2.gz WQKSUPNIUGKYCW-KRWDZBQOSA-N 1 1 360.408 3.484 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C(F)F)CC1 ZINC000483530215 502423432 /nfs/dbraw/zinc/42/34/32/502423432.db2.gz JORFFZNDSMEFJB-ZDUSSCGKSA-N 1 1 353.388 3.438 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C[N@H+]1C1CC1 ZINC000469554787 502459884 /nfs/dbraw/zinc/45/98/84/502459884.db2.gz SNZJLEDUWZXPQE-CVEARBPZSA-N 1 1 350.466 3.300 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000476457032 502493472 /nfs/dbraw/zinc/49/34/72/502493472.db2.gz JVDSUWYRCFDRGB-QGZVFWFLSA-N 1 1 367.415 3.231 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000487766899 502524840 /nfs/dbraw/zinc/52/48/40/502524840.db2.gz CXAXIEYBODVWPI-HZPDHXFCSA-N 1 1 368.481 3.219 20 30 FGEDMO CC[N@@H+]1CC[C@H](Nc2ccc(C#N)c(C)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000488112686 502630908 /nfs/dbraw/zinc/63/09/08/502630908.db2.gz QEZOPJUZGUVJCV-QFBILLFUSA-N 1 1 360.383 3.348 20 30 FGEDMO CC[N@H+]1CC[C@H](Nc2ccc(C#N)c(C)n2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000488112686 502630911 /nfs/dbraw/zinc/63/09/11/502630911.db2.gz QEZOPJUZGUVJCV-QFBILLFUSA-N 1 1 360.383 3.348 20 30 FGEDMO CC(C)Oc1ccnc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000592997719 506325360 /nfs/dbraw/zinc/32/53/60/506325360.db2.gz QNNLEIJKYRWWKU-UHFFFAOYSA-N 1 1 364.493 3.448 20 30 FGEDMO CCc1ccccc1NC(=O)C[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000477149122 502691382 /nfs/dbraw/zinc/69/13/82/502691382.db2.gz KXBRSLGOOGDYAD-UHFFFAOYSA-N 1 1 351.450 3.460 20 30 FGEDMO CCc1ccccc1NC(=O)C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000477149122 502691386 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CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000485074967 502813330 /nfs/dbraw/zinc/81/33/30/502813330.db2.gz PADMNMJTRMSBKE-OAHLLOKOSA-N 1 1 367.449 3.425 20 30 FGEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000485074967 502813332 /nfs/dbraw/zinc/81/33/32/502813332.db2.gz PADMNMJTRMSBKE-OAHLLOKOSA-N 1 1 367.449 3.425 20 30 FGEDMO N#Cc1cnc2c(Cl)cccc2c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596268324 506335895 /nfs/dbraw/zinc/33/58/95/506335895.db2.gz JPBKXENWSSBNNN-UHFFFAOYSA-N 1 1 370.884 3.451 20 30 FGEDMO C=CCC[C@@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)c1ccccc1 ZINC000488844563 502824453 /nfs/dbraw/zinc/82/44/53/502824453.db2.gz XDVUZXISVYFJJO-GHTZIAJQSA-N 1 1 356.510 3.448 20 30 FGEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000495453622 502841766 /nfs/dbraw/zinc/84/17/66/502841766.db2.gz DNTMDLNNYKWZTG-CALCHBBNSA-N 1 1 363.502 3.123 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889575 506339638 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20 30 FGEDMO C[C@@H](NC(=O)c1cccc(F)c1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000489452316 502962638 /nfs/dbraw/zinc/96/26/38/502962638.db2.gz TWPWHXICKDTGRD-WBVHZDCISA-N 1 1 351.425 3.338 20 30 FGEDMO C[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](C)C[N@H+]1C ZINC000509672019 502963336 /nfs/dbraw/zinc/96/33/36/502963336.db2.gz HPKXWRDEPFYJOH-SJORKVTESA-N 1 1 363.461 3.302 20 30 FGEDMO N#Cc1nc(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)sc1Cl ZINC000596293921 506344088 /nfs/dbraw/zinc/34/40/88/506344088.db2.gz SMQASVWMBVYHRS-JKSUJKDBSA-N 1 1 374.897 3.148 20 30 FGEDMO CCOC(=O)c1cnc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000596293896 506345095 /nfs/dbraw/zinc/34/50/95/506345095.db2.gz FVMZWNKKHRDKMP-UHFFFAOYSA-N 1 1 370.478 3.268 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000505953801 503019931 /nfs/dbraw/zinc/01/99/31/503019931.db2.gz PIUGLBMSQOMGJK-HBFSDRIKSA-N 1 1 369.509 3.439 20 30 FGEDMO N#CCCN(C(=O)C[NH+]1CCC(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000602910611 506347691 /nfs/dbraw/zinc/34/76/91/506347691.db2.gz FCSGXBMDWAAEOY-UHFFFAOYSA-N 1 1 373.460 3.080 20 30 FGEDMO Cc1nc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000602910628 506348362 /nfs/dbraw/zinc/34/83/62/506348362.db2.gz BFWGLFYVRRIFOR-UHFFFAOYSA-N 1 1 355.467 3.063 20 30 FGEDMO Cc1nc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000602910628 506348367 /nfs/dbraw/zinc/34/83/67/506348367.db2.gz BFWGLFYVRRIFOR-UHFFFAOYSA-N 1 1 355.467 3.063 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000489890834 503058064 /nfs/dbraw/zinc/05/80/64/503058064.db2.gz SKWJMCXTCJGALJ-LJQANCHMSA-N 1 1 350.528 3.174 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](CC)CCOC)cc1OC ZINC000506476331 503122722 /nfs/dbraw/zinc/12/27/22/503122722.db2.gz FRYQKNAIKWDEIQ-UHFFFAOYSA-N 1 1 358.276 3.491 20 30 FGEDMO Cc1nc(C(C)C)oc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000498222620 503134662 /nfs/dbraw/zinc/13/46/62/503134662.db2.gz WAIDRGNLTBWQTA-UHFFFAOYSA-N 1 1 366.465 3.395 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1OCC(=O)N(C)C ZINC000510647204 503163439 /nfs/dbraw/zinc/16/34/39/503163439.db2.gz RRIGEWVRZSERPC-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1OCC(=O)N(C)C ZINC000510647204 503163443 /nfs/dbraw/zinc/16/34/43/503163443.db2.gz RRIGEWVRZSERPC-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000514855762 503210835 /nfs/dbraw/zinc/21/08/35/503210835.db2.gz NEQZPWOOSYLXRO-UTKZUKDTSA-N 1 1 356.514 3.162 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000514855762 503210839 /nfs/dbraw/zinc/21/08/39/503210839.db2.gz NEQZPWOOSYLXRO-UTKZUKDTSA-N 1 1 356.514 3.162 20 30 FGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H](O)COCc3ccccc3F)CC2)cc1 ZINC000502549446 503222801 /nfs/dbraw/zinc/22/28/01/503222801.db2.gz YMBGQWQWKRIRMM-OAQYLSRUSA-N 1 1 366.436 3.364 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)c(F)c1 ZINC000507183525 503245588 /nfs/dbraw/zinc/24/55/88/503245588.db2.gz YTPPPDBXUUTWBK-UHFFFAOYSA-N 1 1 361.424 3.205 20 30 FGEDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000515020643 503252056 /nfs/dbraw/zinc/25/20/56/503252056.db2.gz UDFPFPAZSIILOG-OAQYLSRUSA-N 1 1 368.477 3.355 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000507219153 503252749 /nfs/dbraw/zinc/25/27/49/503252749.db2.gz NMTOCCMFSVJODP-MRXNPFEDSA-N 1 1 351.450 3.186 20 30 FGEDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000511095202 503253117 /nfs/dbraw/zinc/25/31/17/503253117.db2.gz JJHAFNKZRFZCKF-UHFFFAOYSA-N 1 1 363.377 3.191 20 30 FGEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000511095202 503253121 /nfs/dbraw/zinc/25/31/21/503253121.db2.gz JJHAFNKZRFZCKF-UHFFFAOYSA-N 1 1 363.377 3.191 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)N1CCC(CCC#N)CC1)[NH+](C)C ZINC000515056105 503261449 /nfs/dbraw/zinc/26/14/49/503261449.db2.gz MXKQJZOSNZWTIK-SFHVURJKSA-N 1 1 358.486 3.023 20 30 FGEDMO CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502940897 503312179 /nfs/dbraw/zinc/31/21/79/503312179.db2.gz RXUXXJVMYMFQRZ-UWJYYQICSA-N 1 1 372.513 3.170 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000507674809 503344541 /nfs/dbraw/zinc/34/45/41/503344541.db2.gz VFIVQGABXXVUIS-RTBURBONSA-N 1 1 373.541 3.187 20 30 FGEDMO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507849217 503379695 /nfs/dbraw/zinc/37/96/95/503379695.db2.gz YIVUXTDZPJCXOU-KRWDZBQOSA-N 1 1 363.461 3.106 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[C@H]1C#N ZINC000602976423 506370215 /nfs/dbraw/zinc/37/02/15/506370215.db2.gz PMIGIIFYUTXPBW-XJKSGUPXSA-N 1 1 356.495 3.451 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[C@@H]1C#N ZINC000602976421 506370846 /nfs/dbraw/zinc/37/08/46/506370846.db2.gz PMIGIIFYUTXPBW-CJNGLKHVSA-N 1 1 356.495 3.451 20 30 FGEDMO C=C(C)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(CO)o1 ZINC000512144228 503468825 /nfs/dbraw/zinc/46/88/25/503468825.db2.gz BDTIDUCOCGBVNK-UHFFFAOYSA-N 1 1 373.409 3.087 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512170751 503475871 /nfs/dbraw/zinc/47/58/71/503475871.db2.gz UMSNHPJJMJXRDG-MRXNPFEDSA-N 1 1 356.470 3.024 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512170751 503475877 /nfs/dbraw/zinc/47/58/77/503475877.db2.gz UMSNHPJJMJXRDG-MRXNPFEDSA-N 1 1 356.470 3.024 20 30 FGEDMO C=C(C)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(CO)o1 ZINC000512224815 503491142 /nfs/dbraw/zinc/49/11/42/503491142.db2.gz CLSSJGIVSNKTDJ-UHFFFAOYSA-N 1 1 353.422 3.050 20 30 FGEDMO C[C@H](CC#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1 ZINC000599222013 506377529 /nfs/dbraw/zinc/37/75/29/506377529.db2.gz SUWUWJHAPWCODV-KBAYOESNSA-N 1 1 353.491 3.382 20 30 FGEDMO CC(C)C[N@@H+]1CCO[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516689523 503570019 /nfs/dbraw/zinc/57/00/19/503570019.db2.gz HAOMPNHOOUTBAG-MRXNPFEDSA-N 1 1 355.404 3.023 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@H](CNCc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516689523 503570021 /nfs/dbraw/zinc/57/00/21/503570021.db2.gz HAOMPNHOOUTBAG-MRXNPFEDSA-N 1 1 355.404 3.023 20 30 FGEDMO C=CCn1c(C(C)C)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000508851707 503577048 /nfs/dbraw/zinc/57/70/48/503577048.db2.gz ZUTKGXQCPILMRJ-QGZVFWFLSA-N 1 1 369.513 3.479 20 30 FGEDMO C=C(C)C[N@H+](CCc1nnnn1-c1ccccc1)Cc1cnn(C(C)C)c1 ZINC000512557273 503584061 /nfs/dbraw/zinc/58/40/61/503584061.db2.gz OMHZTMFUBOODED-UHFFFAOYSA-N 1 1 365.485 3.061 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1 ZINC000494678923 503590403 /nfs/dbraw/zinc/59/04/03/503590403.db2.gz HOZKELSMADLYAV-KRWDZBQOSA-N 1 1 370.497 3.059 20 30 FGEDMO C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000508907219 503597366 /nfs/dbraw/zinc/59/73/66/503597366.db2.gz LJGGGFJOTWQQJB-SFHVURJKSA-N 1 1 373.932 3.485 20 30 FGEDMO C[C@@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccc(C#N)cc1F ZINC000512644009 503602564 /nfs/dbraw/zinc/60/25/64/503602564.db2.gz ZCKMCNPQERYPQK-YPMHNXCESA-N 1 1 359.351 3.432 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(C#N)cc1F ZINC000512648875 503602863 /nfs/dbraw/zinc/60/28/63/503602863.db2.gz PIAYQUTUPQIRIX-SECBINFHSA-N 1 1 351.303 3.404 20 30 FGEDMO CCCCCNC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512800556 503634094 /nfs/dbraw/zinc/63/40/94/503634094.db2.gz DKZVOIOTBCIRGB-OAHLLOKOSA-N 1 1 361.461 3.235 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cc(C3CC3)ccc2F)cc1 ZINC000582720797 506383580 /nfs/dbraw/zinc/38/35/80/506383580.db2.gz HYCNRMXKMMHWQL-UHFFFAOYSA-N 1 1 358.438 3.138 20 30 FGEDMO C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532964532 503677979 /nfs/dbraw/zinc/67/79/79/503677979.db2.gz RAGZTIKIVDCSGW-SFHVURJKSA-N 1 1 362.477 3.122 20 30 FGEDMO C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000532964532 503677986 /nfs/dbraw/zinc/67/79/86/503677986.db2.gz RAGZTIKIVDCSGW-SFHVURJKSA-N 1 1 362.477 3.122 20 30 FGEDMO CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000527104624 503680290 /nfs/dbraw/zinc/68/02/90/503680290.db2.gz DLWRCUZJAQNCJM-KRWDZBQOSA-N 1 1 370.497 3.008 20 30 FGEDMO CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495206920 503700231 /nfs/dbraw/zinc/70/02/31/503700231.db2.gz AKXWSBRIUHFMIZ-LJQANCHMSA-N 1 1 361.511 3.064 20 30 FGEDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000495220196 503703660 /nfs/dbraw/zinc/70/36/60/503703660.db2.gz FAHHPQLHYSZEHF-QFIPXVFZSA-N 1 1 366.461 3.493 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c2ccccc21 ZINC000533080325 503724399 /nfs/dbraw/zinc/72/43/99/503724399.db2.gz DZMJKUTYGPRHEY-ROUUACIJSA-N 1 1 365.477 3.486 20 30 FGEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000533079768 503724574 /nfs/dbraw/zinc/72/45/74/503724574.db2.gz BLYXYMADLDYOGV-MRXNPFEDSA-N 1 1 352.434 3.378 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000540375454 503752842 /nfs/dbraw/zinc/75/28/42/503752842.db2.gz CJYLIBXWBMCLRO-QGZVFWFLSA-N 1 1 361.367 3.458 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+](Cc3cc4cc(C)c(C)cc4o3)CC2)c1C#N ZINC000527315751 503761600 /nfs/dbraw/zinc/76/16/00/503761600.db2.gz NKPMBFNJSGXBDA-UHFFFAOYSA-N 1 1 363.465 3.285 20 30 FGEDMO C=CC[N@H+](Cc1cn2c(cccc2C)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528671 503763844 /nfs/dbraw/zinc/76/38/44/503763844.db2.gz CBQXOKORUFZFSG-KRWDZBQOSA-N 1 1 373.464 3.368 20 30 FGEDMO C=CC[N@@H+](Cc1cn2c(cccc2C)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517528671 503763849 /nfs/dbraw/zinc/76/38/49/503763849.db2.gz CBQXOKORUFZFSG-KRWDZBQOSA-N 1 1 373.464 3.368 20 30 FGEDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000540481307 503784549 /nfs/dbraw/zinc/78/45/49/503784549.db2.gz XRNBJRZVGRNRTN-LLVKDONJSA-N 1 1 358.785 3.409 20 30 FGEDMO C=CC[N@@H+](Cc1cccc2nccn21)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000540481561 503785753 /nfs/dbraw/zinc/78/57/53/503785753.db2.gz CDFRVGKEDYGEQI-MRXNPFEDSA-N 1 1 359.437 3.059 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](Cc4ccc(F)cc4)C3)C2=O)cc1 ZINC000533299483 503796695 /nfs/dbraw/zinc/79/66/95/503796695.db2.gz CSJAFOUYCFDPCY-NQIIRXRSSA-N 1 1 363.436 3.367 20 30 FGEDMO Cc1cc(C)c(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3F)CC2)o1 ZINC000527576958 503840434 /nfs/dbraw/zinc/84/04/34/503840434.db2.gz HPOSRSYKTBIRNI-UHFFFAOYSA-N 1 1 355.413 3.302 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2C)c1C#N ZINC000533431887 503842072 /nfs/dbraw/zinc/84/20/72/503842072.db2.gz SFSPEWGJMICVOF-ZIAGYGMSSA-N 1 1 354.454 3.287 20 30 FGEDMO C[C@H](c1ccc(-c2cccc(F)c2C#N)cc1)N1CC[NH+](CCO)CC1 ZINC000527590074 503844807 /nfs/dbraw/zinc/84/48/07/503844807.db2.gz XROYUFIRRAPYFQ-MRXNPFEDSA-N 1 1 353.441 3.035 20 30 FGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(CN3CCc4ccccc43)CC2)cc1 ZINC000533440603 503847119 /nfs/dbraw/zinc/84/71/19/503847119.db2.gz 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KNVDNTKKSHRURX-VGSWGCGISA-N 1 1 374.488 3.494 20 30 FGEDMO C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686829 506581273 /nfs/dbraw/zinc/58/12/73/506581273.db2.gz ZQLCRMNNQISWBN-HNNXBMFYSA-N 1 1 367.880 3.469 20 30 FGEDMO C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686829 506581278 /nfs/dbraw/zinc/58/12/78/506581278.db2.gz ZQLCRMNNQISWBN-HNNXBMFYSA-N 1 1 367.880 3.469 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC3(C#N)CCOCC3)cc2)C1 ZINC000596801432 506606634 /nfs/dbraw/zinc/60/66/34/506606634.db2.gz OLTDVDJEQALKEK-SFHVURJKSA-N 1 1 369.509 3.245 20 30 FGEDMO C[C@H]1CCN(C(=O)NCC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000593426625 506614108 /nfs/dbraw/zinc/61/41/08/506614108.db2.gz HFBMZNPRAMRHAM-SFHVURJKSA-N 1 1 354.498 3.376 20 30 FGEDMO CCN(C(=O)NCC1(C#N)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593428598 506615825 /nfs/dbraw/zinc/61/58/25/506615825.db2.gz IATQOZNCEUXIKP-IBGZPJMESA-N 1 1 354.498 3.376 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc1 ZINC000603838128 506629117 /nfs/dbraw/zinc/62/91/17/506629117.db2.gz YSPWUWKWSLXYAX-UHFFFAOYSA-N 1 1 373.416 3.337 20 30 FGEDMO Cc1nn(C)c(N2CC[NH+](C[C@@H](C)c3cccc(Cl)c3)CC2)c1C#N ZINC000583173070 506629135 /nfs/dbraw/zinc/62/91/35/506629135.db2.gz URNUQZSVTWTFMI-CQSZACIVSA-N 1 1 357.889 3.179 20 30 FGEDMO CCN(C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000596911679 506673011 /nfs/dbraw/zinc/67/30/11/506673011.db2.gz ZSJVUZMDXUKVRV-QGZVFWFLSA-N 1 1 365.437 3.303 20 30 FGEDMO C[C@H]1CN(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC[N@H+](C2CCC2)C1 ZINC000589923435 506679961 /nfs/dbraw/zinc/67/99/61/506679961.db2.gz FTELEMWMJNDITG-FOIQADDNSA-N 1 1 352.482 3.061 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C1CC1 ZINC000593696504 506736468 /nfs/dbraw/zinc/73/64/68/506736468.db2.gz JAPWAUOLNCBZDO-LSDHHAIUSA-N 1 1 352.356 3.208 20 30 FGEDMO N#CC1(CC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000590134975 506745955 /nfs/dbraw/zinc/74/59/55/506745955.db2.gz TUZMYKPVRDDLBB-UHFFFAOYSA-N 1 1 365.399 3.434 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(O)c3Cl)C2=O)cc1 ZINC000590186724 506760544 /nfs/dbraw/zinc/76/05/44/506760544.db2.gz SRWIVHYJELNOHK-INIZCTEOSA-N 1 1 355.825 3.202 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC[C@H](O)CC1 ZINC000590209409 506764874 /nfs/dbraw/zinc/76/48/74/506764874.db2.gz UEIJOLCBXSOVCT-KBPBESRZSA-N 1 1 361.511 3.062 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CCC[C@H](O)CC1 ZINC000590209409 506764882 /nfs/dbraw/zinc/76/48/82/506764882.db2.gz UEIJOLCBXSOVCT-KBPBESRZSA-N 1 1 361.511 3.062 20 30 FGEDMO N#Cc1ccc(OCc2ccc(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)o2)cc1 ZINC000609071473 506770073 /nfs/dbraw/zinc/77/00/73/506770073.db2.gz ZMOVLNVZSXKTPR-QGZVFWFLSA-N 1 1 365.433 3.041 20 30 FGEDMO N#Cc1ccc(OCc2ccc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)o2)cc1 ZINC000609071473 506770080 /nfs/dbraw/zinc/77/00/80/506770080.db2.gz ZMOVLNVZSXKTPR-QGZVFWFLSA-N 1 1 365.433 3.041 20 30 FGEDMO C[N@H+]1CCCN(c2ccc(-c3noc(CC4(C#N)CC4)n3)cc2Cl)CC1 ZINC000590271857 506778701 /nfs/dbraw/zinc/77/87/01/506778701.db2.gz IYZRARRGCKGJKN-UHFFFAOYSA-N 1 1 371.872 3.378 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(OC4CC4)c3F)C2)nc1 ZINC000597129495 506790982 /nfs/dbraw/zinc/79/09/82/506790982.db2.gz KPSAAJFLNGCSEB-QGZVFWFLSA-N 1 1 353.397 3.287 20 30 FGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(OC4CC4)c3F)C2)nc1 ZINC000597129495 506790990 /nfs/dbraw/zinc/79/09/90/506790990.db2.gz KPSAAJFLNGCSEB-QGZVFWFLSA-N 1 1 353.397 3.287 20 30 FGEDMO Cc1ccc(N2CCC(C(=O)N[C@H](C#N)c3ccc(F)cc3)CC2)[nH+]c1 ZINC000604335292 506791690 /nfs/dbraw/zinc/79/16/90/506791690.db2.gz HWPXDZFPOVBKFQ-GOSISDBHSA-N 1 1 352.413 3.127 20 30 FGEDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000590445640 506826702 /nfs/dbraw/zinc/82/67/02/506826702.db2.gz QFZNEZWUGKXNJT-KXBFYZLASA-N 1 1 365.408 3.266 20 30 FGEDMO Cc1nc(SCC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c(C#N)c(C)c1C ZINC000604440502 506833644 /nfs/dbraw/zinc/83/36/44/506833644.db2.gz FHKKSKHNRGKDNQ-KBPBESRZSA-N 1 1 374.554 3.207 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000583541127 506836041 /nfs/dbraw/zinc/83/60/41/506836041.db2.gz RVNCFNFZRCGRKI-QGZVFWFLSA-N 1 1 356.919 3.363 20 30 FGEDMO N#Cc1ccnc(N2CC[NH+](Cc3ccccc3Oc3cccnc3)CC2)c1 ZINC000604489308 506848395 /nfs/dbraw/zinc/84/83/95/506848395.db2.gz UBMNEKABZGUHQH-UHFFFAOYSA-N 1 1 371.444 3.463 20 30 FGEDMO CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)C1 ZINC000604502435 506853138 /nfs/dbraw/zinc/85/31/38/506853138.db2.gz IENMSTFXAZRAJG-FQEVSTJZSA-N 1 1 356.514 3.458 20 30 FGEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000609458975 506888387 /nfs/dbraw/zinc/88/83/87/506888387.db2.gz LVXCTLLODOZOSB-NRFANRHFSA-N 1 1 370.541 3.224 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000594025868 506892638 /nfs/dbraw/zinc/89/26/38/506892638.db2.gz UYDIVEWULVGJPH-KRWDZBQOSA-N 1 1 353.466 3.310 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027634 506892814 /nfs/dbraw/zinc/89/28/14/506892814.db2.gz XTRJLIYTRFYWEP-OXJNMPFZSA-N 1 1 373.472 3.494 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027634 506892815 /nfs/dbraw/zinc/89/28/15/506892815.db2.gz XTRJLIYTRFYWEP-OXJNMPFZSA-N 1 1 373.472 3.494 20 30 FGEDMO Cc1cc(C)n(-c2ccc(C[NH+]3CCN([C@@H](C#N)C(C)C)CC3)cc2)n1 ZINC000609538750 506912044 /nfs/dbraw/zinc/91/20/44/506912044.db2.gz XGUDJZOKMQGWLC-NRFANRHFSA-N 1 1 351.498 3.155 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)cc1 ZINC000583689642 506918643 /nfs/dbraw/zinc/91/86/43/506918643.db2.gz GYWPQYAHNVNRNC-UHFFFAOYSA-N 1 1 357.461 3.026 20 30 FGEDMO Cc1nc(SCC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(C#N)c(C)c1C ZINC000600472138 506962485 /nfs/dbraw/zinc/96/24/85/506962485.db2.gz MYQPEKHBZFHIHH-KRWDZBQOSA-N 1 1 372.538 3.104 20 30 FGEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 ZINC000600476815 506965523 /nfs/dbraw/zinc/96/55/23/506965523.db2.gz XZDLBZADDPTRDD-INIZCTEOSA-N 1 1 366.465 3.090 20 30 FGEDMO Cc1nc(SCC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(C#N)c(C)c1C ZINC000594197341 507001218 /nfs/dbraw/zinc/00/12/18/507001218.db2.gz CISQTUKNTCUPEJ-ROUUACIJSA-N 1 1 372.538 3.104 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609806833 507011108 /nfs/dbraw/zinc/01/11/08/507011108.db2.gz ASRCAUBBWIHABX-TZIWHRDSSA-N 1 1 368.502 3.282 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCN(c3cc(C#N)c4ccccc4n3)CC2)cc1 ZINC000609893489 507041024 /nfs/dbraw/zinc/04/10/24/507041024.db2.gz SMVWDWDLEALPNX-UHFFFAOYSA-N 1 1 353.429 3.300 20 30 FGEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000609915668 507048497 /nfs/dbraw/zinc/04/84/97/507048497.db2.gz JFUDAOSIVAZRCI-HNNXBMFYSA-N 1 1 355.869 3.391 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000590947193 507053075 /nfs/dbraw/zinc/05/30/75/507053075.db2.gz GOAAQCAYVZHPCV-IBGZPJMESA-N 1 1 366.440 3.113 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000590945066 507053132 /nfs/dbraw/zinc/05/31/32/507053132.db2.gz BFNNBYOADSACPZ-UHFFFAOYSA-N 1 1 368.481 3.341 20 30 FGEDMO N#Cc1ccc(CN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C2CC2)cc1 ZINC000594283992 507063589 /nfs/dbraw/zinc/06/35/89/507063589.db2.gz PNELQKGXQYEXON-UXHICEINSA-N 1 1 352.482 3.249 20 30 FGEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000597697748 507064895 /nfs/dbraw/zinc/06/48/95/507064895.db2.gz ZVLIAFWTNZBZEA-SJORKVTESA-N 1 1 369.490 3.017 20 30 FGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000591011526 507077831 /nfs/dbraw/zinc/07/78/31/507077831.db2.gz ZWQHKTGFBRXXAO-SFHVURJKSA-N 1 1 368.525 3.473 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000594355430 507091498 /nfs/dbraw/zinc/09/14/98/507091498.db2.gz BNNREMIHJULYCN-GOSISDBHSA-N 1 1 353.853 3.350 20 30 FGEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 ZINC000610078750 507092438 /nfs/dbraw/zinc/09/24/38/507092438.db2.gz BTCPBBGDQQFLNK-CYBMUJFWSA-N 1 1 350.484 3.458 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000594374028 507099109 /nfs/dbraw/zinc/09/91/09/507099109.db2.gz LNFUDBRQKFKJKS-WTOYTKOKSA-N 1 1 361.489 3.198 20 30 FGEDMO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C[N@@H+](C)C1CCC1 ZINC000600830148 507139736 /nfs/dbraw/zinc/13/97/36/507139736.db2.gz QNZHSJPYYSYNGL-CYBMUJFWSA-N 1 1 353.388 3.430 20 30 FGEDMO CC(C)[C@H]1[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCCCC2 ZINC000591242822 507167700 /nfs/dbraw/zinc/16/77/00/507167700.db2.gz ARMMNCOHVDBFKN-GOSISDBHSA-N 1 1 361.511 3.018 20 30 FGEDMO CC(C)[C@H]1[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CC12CCCCC2 ZINC000591242822 507167701 /nfs/dbraw/zinc/16/77/01/507167701.db2.gz ARMMNCOHVDBFKN-GOSISDBHSA-N 1 1 361.511 3.018 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000597922766 507175619 /nfs/dbraw/zinc/17/56/19/507175619.db2.gz LJHAZLYXNMMBSQ-KRWDZBQOSA-N 1 1 364.449 3.348 20 30 FGEDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2ccnn2C)c1 ZINC000584176626 507196189 /nfs/dbraw/zinc/19/61/89/507196189.db2.gz PEBMCTXHFQPLEU-LJQANCHMSA-N 1 1 373.460 3.316 20 30 FGEDMO C[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000610347692 507206204 /nfs/dbraw/zinc/20/62/04/507206204.db2.gz GFKSYVAEOXAUTL-GJZGRUSLSA-N 1 1 368.506 3.427 20 30 FGEDMO C[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000610347692 507206208 /nfs/dbraw/zinc/20/62/08/507206208.db2.gz GFKSYVAEOXAUTL-GJZGRUSLSA-N 1 1 368.506 3.427 20 30 FGEDMO C[N@@H+](Cc1cn(-c2cc(C(F)(F)F)cnc2C#N)nn1)C1CCCCC1 ZINC000594651141 507222348 /nfs/dbraw/zinc/22/23/48/507222348.db2.gz YTCBMQXHRQCHDK-UHFFFAOYSA-N 1 1 364.375 3.317 20 30 FGEDMO CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000613760889 507245864 /nfs/dbraw/zinc/24/58/64/507245864.db2.gz IGSXZVMTVMIABJ-UHFFFAOYSA-N 1 1 365.437 3.303 20 30 FGEDMO C[C@@H](C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1)[NH+]1CC(C)C1 ZINC000584478094 507367772 /nfs/dbraw/zinc/36/77/72/507367772.db2.gz GXWWYJJPBJBFKJ-UWJYYQICSA-N 1 1 363.461 3.287 20 30 FGEDMO N#Cc1c(C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cn2ccccc12 ZINC000584493193 507375816 /nfs/dbraw/zinc/37/58/16/507375816.db2.gz KUEZARMNFCYSED-QFIPXVFZSA-N 1 1 363.436 3.377 20 30 FGEDMO CC[C@@H]1[C@@H](C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[N@H+]1C ZINC000601584904 507395103 /nfs/dbraw/zinc/39/51/03/507395103.db2.gz CSJKEVRVFWSGCU-RBUKOAKNSA-N 1 1 350.422 3.414 20 30 FGEDMO C[C@H]1C[C@H](C)C[NH+](CCN2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000595289679 507448561 /nfs/dbraw/zinc/44/85/61/507448561.db2.gz PUQIDRDQKGZEKZ-PMACEKPBSA-N 1 1 354.542 3.044 20 30 FGEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000595317822 507459097 /nfs/dbraw/zinc/45/90/97/507459097.db2.gz RSDOWOAHPIQCGO-LJQANCHMSA-N 1 1 353.853 3.491 20 30 FGEDMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccnc(C#N)c3)C2)cc1 ZINC000610993651 507470132 /nfs/dbraw/zinc/47/01/32/507470132.db2.gz YXGLWYIHUHGNLW-GOSISDBHSA-N 1 1 363.465 3.295 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000584728684 507472948 /nfs/dbraw/zinc/47/29/48/507472948.db2.gz TZWKDGGZRRMYNJ-DKTYTTGXSA-N 1 1 366.509 3.490 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC=C(c2ccccn2)C1 ZINC000584728684 507472957 /nfs/dbraw/zinc/47/29/57/507472957.db2.gz TZWKDGGZRRMYNJ-DKTYTTGXSA-N 1 1 366.509 3.490 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C ZINC000610998314 507476384 /nfs/dbraw/zinc/47/63/84/507476384.db2.gz OFHHEEGNICXVMR-VQTJNVASSA-N 1 1 369.509 3.299 20 30 FGEDMO CC(C)(C)OC(=O)CC[N@@H+](Cc1cccc(F)c1C#N)C1CCOCC1 ZINC000592130525 507496721 /nfs/dbraw/zinc/49/67/21/507496721.db2.gz KMJPRYSDTAFQPM-UHFFFAOYSA-N 1 1 362.445 3.410 20 30 FGEDMO N#Cc1ccsc1NC(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139479 507503615 /nfs/dbraw/zinc/50/36/15/507503615.db2.gz GJVPQTVCEWAASW-SFHVURJKSA-N 1 1 369.490 3.221 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@](C)(C#N)C3)cc2)C1 ZINC000595457853 507508169 /nfs/dbraw/zinc/50/81/69/507508169.db2.gz FMLIWRHKOVMGFN-LAUBAEHRSA-N 1 1 354.498 3.364 20 30 FGEDMO Cc1ccc(C[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC2CC2)cn1 ZINC000592145517 507508054 /nfs/dbraw/zinc/50/80/54/507508054.db2.gz UDLWUCPCUUWHPA-UHFFFAOYSA-N 1 1 354.498 3.287 20 30 FGEDMO Cc1ccc(C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)CC2CC2)cn1 ZINC000592145517 507508059 /nfs/dbraw/zinc/50/80/59/507508059.db2.gz UDLWUCPCUUWHPA-UHFFFAOYSA-N 1 1 354.498 3.287 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000598613978 507519526 /nfs/dbraw/zinc/51/95/26/507519526.db2.gz JEFPFKCTDMLJJB-ZFWWWQNUSA-N 1 1 352.276 3.282 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000598613978 507519534 /nfs/dbraw/zinc/51/95/34/507519534.db2.gz JEFPFKCTDMLJJB-ZFWWWQNUSA-N 1 1 352.276 3.282 20 30 FGEDMO 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353.401 3.203 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)c(-c2nn[nH]n2)c1)Cc1ccccc1F ZINC000823909972 607487826 /nfs/dbraw/zinc/48/78/26/607487826.db2.gz UQBCHALXDBSKHR-UHFFFAOYSA-N 1 1 353.401 3.203 20 30 FGEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1-c1nn[nH]n1 ZINC000826193913 607490750 /nfs/dbraw/zinc/49/07/50/607490750.db2.gz UPMVBFVWSIQBDF-UHFFFAOYSA-N 1 1 362.437 3.158 20 30 FGEDMO C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827951329 601304929 /nfs/dbraw/zinc/30/49/29/601304929.db2.gz XBNZUHDXTNMKEO-IERDGZPVSA-N 1 1 363.461 3.499 20 30 FGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821592816 606106955 /nfs/dbraw/zinc/10/69/55/606106955.db2.gz WQFIQWUAESAEJC-UHFFFAOYSA-N 1 1 371.366 3.369 20 30 FGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000825322818 608354139 /nfs/dbraw/zinc/35/41/39/608354139.db2.gz JPADCKREBOETDJ-UHFFFAOYSA-N 1 1 362.437 3.159 20 30 FGEDMO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C 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3.027 20 30 FGEDMO C=CCn1c(C)nn(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1=S ZINC000132849812 700832105 /nfs/dbraw/zinc/83/21/05/700832105.db2.gz JSOGUTWAPIDLBS-UHFFFAOYSA-N 1 1 362.474 3.301 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@@H](C)Cc1cc(C)[nH]n1 ZINC000136805242 704864837 /nfs/dbraw/zinc/86/48/37/704864837.db2.gz KVRWMJSQCGGYHN-LBPRGKRZSA-N 1 1 362.271 3.213 20 30 FGEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCN(CC)CC2)cc1 ZINC000155749451 705089774 /nfs/dbraw/zinc/08/97/74/705089774.db2.gz HXULFYVTXSCTHN-MSOLQXFVSA-N 1 1 365.949 3.495 20 30 FGEDMO CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+]C[C@@H]1CCC(F)(F)C1)C2 ZINC000330246000 713835282 /nfs/dbraw/zinc/83/52/82/713835282.db2.gz DYFLLNZSIMDHFE-OLZOCXBDSA-N 1 1 354.445 3.434 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000426455027 714018899 /nfs/dbraw/zinc/01/88/99/714018899.db2.gz SDJJWAMCVHRJIJ-HZPDHXFCSA-N 1 1 352.841 3.216 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)NCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000426455027 714018902 /nfs/dbraw/zinc/01/89/02/714018902.db2.gz SDJJWAMCVHRJIJ-HZPDHXFCSA-N 1 1 352.841 3.216 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000522096393 714169621 /nfs/dbraw/zinc/16/96/21/714169621.db2.gz ASVGNBZOKCODTH-HKUYNNGSSA-N 1 1 356.853 3.441 20 30 FGEDMO CC(C)[N@@H+](C)CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000525224467 714333625 /nfs/dbraw/zinc/33/36/25/714333625.db2.gz NRDIZYPOLZMYTR-UHFFFAOYSA-N 1 1 357.483 3.067 20 30 FGEDMO C[C@H](Nc1ncc(C#N)cc1Cl)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000525462011 714355034 /nfs/dbraw/zinc/35/50/34/714355034.db2.gz VCQJZDIEXQMFHQ-KBXCAEBGSA-N 1 1 356.857 3.308 20 30 FGEDMO C[C@H](Nc1ncc(C#N)cc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000525462011 714355038 /nfs/dbraw/zinc/35/50/38/714355038.db2.gz VCQJZDIEXQMFHQ-KBXCAEBGSA-N 1 1 356.857 3.308 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCc1cc(Cl)ccc1Cl ZINC000618752639 714773565 /nfs/dbraw/zinc/77/35/65/714773565.db2.gz NPZXHRJBRXIWMV-UHFFFAOYSA-N 1 1 352.269 3.108 20 30 FGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000618806783 714780026 /nfs/dbraw/zinc/78/00/26/714780026.db2.gz SHJMQSLIWCBXHN-QZTJIDSGSA-N 1 1 356.422 3.193 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619828113 714873918 /nfs/dbraw/zinc/87/39/18/714873918.db2.gz LYNMHPGDDSENFE-INIZCTEOSA-N 1 1 360.889 3.085 20 30 FGEDMO C=CCCS(=O)(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625535141 715747372 /nfs/dbraw/zinc/74/73/72/715747372.db2.gz KNOWUMBLLDKBKN-AWEZNQCLSA-N 1 1 351.299 3.092 20 30 FGEDMO CCC(=NNc1cc[nH+]cc1)c1ccc(I)cc1 ZINC000779807423 724428352 /nfs/dbraw/zinc/42/83/52/724428352.db2.gz WTHSBIPHRAKTHF-UHFFFAOYSA-N 1 1 351.191 3.334 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=NNS(=O)(=O)c1ccccc1 ZINC000747625207 722653179 /nfs/dbraw/zinc/65/31/79/722653179.db2.gz HJIFNMHCAJJUNN-UHFFFAOYSA-N 1 1 359.495 3.109 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)cc1OC ZINC000628156127 716117542 /nfs/dbraw/zinc/11/75/42/716117542.db2.gz CFWHSNYQHWLLEZ-CQSZACIVSA-N 1 1 352.862 3.143 20 30 FGEDMO C#CC[N@H+](CCc1ccnn1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000801921462 724346015 /nfs/dbraw/zinc/34/60/15/724346015.db2.gz DNARTPPZYMDARR-KRWDZBQOSA-N 1 1 374.282 3.184 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000780354424 724458829 /nfs/dbraw/zinc/45/88/29/724458829.db2.gz RSZLWJNYBLVNOK-ZDUSSCGKSA-N 1 1 362.401 3.343 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000780354424 724458830 /nfs/dbraw/zinc/45/88/30/724458830.db2.gz RSZLWJNYBLVNOK-ZDUSSCGKSA-N 1 1 362.401 3.343 20 30 FGEDMO C=CCCC(=O)COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803908219 724482132 /nfs/dbraw/zinc/48/21/32/724482132.db2.gz WUSVJXZVXZNOBA-KRWDZBQOSA-N 1 1 351.393 3.222 20 30 FGEDMO C=CCCC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000803908219 724482136 /nfs/dbraw/zinc/48/21/36/724482136.db2.gz WUSVJXZVXZNOBA-KRWDZBQOSA-N 1 1 351.393 3.222 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cnc(Cl)nc1Oc1cccc(C#N)c1 ZINC001164633975 719253741 /nfs/dbraw/zinc/25/37/41/719253741.db2.gz LVXXKSWUNAPQAA-QWHCGFSZSA-N 1 1 357.845 3.323 20 30 FGEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)[C@H](C)COC ZINC000661248982 720215645 /nfs/dbraw/zinc/21/56/45/720215645.db2.gz XHWKBYDDMLVRFX-ZIAGYGMSSA-N 1 1 369.303 3.149 20 30 FGEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)[C@H](C)COC ZINC000661248982 720215650 /nfs/dbraw/zinc/21/56/50/720215650.db2.gz XHWKBYDDMLVRFX-ZIAGYGMSSA-N 1 1 369.303 3.149 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661956621 720349414 /nfs/dbraw/zinc/34/94/14/720349414.db2.gz JTTPKTNVVODRJB-CYBMUJFWSA-N 1 1 359.857 3.374 20 30 FGEDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000662112958 720377996 /nfs/dbraw/zinc/37/79/96/720377996.db2.gz COKDZXHBHURQRV-MRXNPFEDSA-N 1 1 352.400 3.294 20 30 FGEDMO N#Cc1cc2c(nc1N1CC[C@H]3[C@H]1CC[N@H+]3Cc1cccnc1)CCCC2 ZINC001164733889 720436660 /nfs/dbraw/zinc/43/66/60/720436660.db2.gz QNPVYQHYDBDYGO-LEWJYISDSA-N 1 1 359.477 3.080 20 30 FGEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000782968773 724713033 /nfs/dbraw/zinc/71/30/33/724713033.db2.gz QKSLICHXXAQINZ-UHFFFAOYSA-N 1 1 357.903 3.352 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)cc(C#N)n1)[C@@H]2C ZINC001164859369 720950718 /nfs/dbraw/zinc/95/07/18/720950718.db2.gz NFRSJLKEUHCJGW-CYBMUJFWSA-N 1 1 358.877 3.225 20 30 FGEDMO C=CC[NH+]1CCN(c2ncnc3c2c(C)c(C)n3Cc2ccccc2)CC1 ZINC001165032326 721870360 /nfs/dbraw/zinc/87/03/60/721870360.db2.gz NXUNQQWQCDVXEJ-UHFFFAOYSA-N 1 1 361.493 3.404 20 30 FGEDMO C=C(C)[C@@H](CO)[NH+]1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000678049536 721935476 /nfs/dbraw/zinc/93/54/76/721935476.db2.gz LHCSTVZMXHVERN-ZWKOTPCHSA-N 1 1 367.331 3.455 20 30 FGEDMO N#Cc1cc(Cl)cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953153 722016556 /nfs/dbraw/zinc/01/65/56/722016556.db2.gz SFDIIUQYZRSFFM-UHFFFAOYSA-N 1 1 367.884 3.494 20 30 FGEDMO C=CCCOCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000679327317 722023050 /nfs/dbraw/zinc/02/30/50/722023050.db2.gz HLPIIJKHVIGUKI-PKOBYXMFSA-N 1 1 352.425 3.198 20 30 FGEDMO C=CCCOCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000679327317 722023053 /nfs/dbraw/zinc/02/30/53/722023053.db2.gz HLPIIJKHVIGUKI-PKOBYXMFSA-N 1 1 352.425 3.198 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679681398 722040688 /nfs/dbraw/zinc/04/06/88/722040688.db2.gz GIUULFXVMWWZMW-ZIAGYGMSSA-N 1 1 358.454 3.355 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679681398 722040690 /nfs/dbraw/zinc/04/06/90/722040690.db2.gz GIUULFXVMWWZMW-ZIAGYGMSSA-N 1 1 358.454 3.355 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)Oc1ccccc1C(F)(F)F ZINC000729812423 722462844 /nfs/dbraw/zinc/46/28/44/722462844.db2.gz VGMJTKDJHGQPJI-KBPBESRZSA-N 1 1 355.356 3.114 20 30 FGEDMO Cc1[nH+]ccn1CCCC(=O)N[C@H](C#N)c1ccccc1Br ZINC000733267441 722494770 /nfs/dbraw/zinc/49/47/70/722494770.db2.gz XDXYDJMZIVYRRQ-OAHLLOKOSA-N 1 1 361.243 3.115 20 30 FGEDMO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735306150 722514707 /nfs/dbraw/zinc/51/47/07/722514707.db2.gz JMTHWWIODZRZMK-UHFFFAOYSA-N 1 1 357.841 3.234 20 30 FGEDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735306150 722514708 /nfs/dbraw/zinc/51/47/08/722514708.db2.gz JMTHWWIODZRZMK-UHFFFAOYSA-N 1 1 357.841 3.234 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000735311763 722514933 /nfs/dbraw/zinc/51/49/33/722514933.db2.gz VDVHDWRWLWKRII-KRWDZBQOSA-N 1 1 361.873 3.219 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000735311763 722514934 /nfs/dbraw/zinc/51/49/34/722514934.db2.gz VDVHDWRWLWKRII-KRWDZBQOSA-N 1 1 361.873 3.219 20 30 FGEDMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)CC(=O)NCCC#N ZINC000739923645 722534389 /nfs/dbraw/zinc/53/43/89/722534389.db2.gz KHXVALRLTRGOCF-OAHLLOKOSA-N 1 1 356.495 3.450 20 30 FGEDMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CC(=O)NCCC#N ZINC000739923645 722534390 /nfs/dbraw/zinc/53/43/90/722534390.db2.gz KHXVALRLTRGOCF-OAHLLOKOSA-N 1 1 356.495 3.450 20 30 FGEDMO C[N@H+]1CCC[C@@H](NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000740473364 722536331 /nfs/dbraw/zinc/53/63/31/722536331.db2.gz LFAZNXKZEBAJKY-MRXNPFEDSA-N 1 1 354.479 3.180 20 30 FGEDMO C#CCOc1ccc(Br)cc1CNCC[N@@H+]1CCC[C@H]1C ZINC000742387884 722556762 /nfs/dbraw/zinc/55/67/62/722556762.db2.gz XXOOSYXFCPUFKE-CQSZACIVSA-N 1 1 351.288 3.035 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]CCN1CCC[C@H]1C ZINC000742387884 722556763 /nfs/dbraw/zinc/55/67/63/722556763.db2.gz XXOOSYXFCPUFKE-CQSZACIVSA-N 1 1 351.288 3.035 20 30 FGEDMO C#CCNC(=O)C[NH2+][C@H](c1cccc(SC)c1)c1ccc(F)c(F)c1 ZINC000749275964 722722875 /nfs/dbraw/zinc/72/28/75/722722875.db2.gz SMJVHTMGMUNWLP-LJQANCHMSA-N 1 1 360.429 3.115 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCc1cc(Br)cs1 ZINC000756554360 722966776 /nfs/dbraw/zinc/96/67/76/722966776.db2.gz YWRGCFALOYQCRB-CYBMUJFWSA-N 1 1 356.285 3.084 20 30 FGEDMO C[N@H+]1CCCC(=NNC(=S)Nc2cccc(Br)c2)CC1 ZINC000758097663 722984171 /nfs/dbraw/zinc/98/41/71/722984171.db2.gz GMLQWEJIWSHRIJ-UHFFFAOYSA-N 1 1 355.305 3.207 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000760830908 723096261 /nfs/dbraw/zinc/09/62/61/723096261.db2.gz QBUYDLHJWNJIQG-BZSNNMDCSA-N 1 1 352.519 3.425 20 30 FGEDMO COc1cccc(O)c1/C=N\C[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000760977106 723109575 /nfs/dbraw/zinc/10/95/75/723109575.db2.gz CGNPYXQQZFATED-WBRURWICSA-N 1 1 356.491 3.437 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C2)c(OC)c1 ZINC000761046828 723116263 /nfs/dbraw/zinc/11/62/63/723116263.db2.gz UJQBMIKKLBPQLS-GJZGRUSLSA-N 1 1 359.388 3.048 20 30 FGEDMO C#CCSCCNC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000761701357 723177436 /nfs/dbraw/zinc/17/74/36/723177436.db2.gz MSHFFVCNTCYYKR-IEBWSBKVSA-N 1 1 359.539 3.220 20 30 FGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCN(C)CC2)cc1 ZINC000764841055 723452105 /nfs/dbraw/zinc/45/21/05/723452105.db2.gz QMXOZMTXNFKSBG-QGZVFWFLSA-N 1 1 365.949 3.495 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)c(Cl)c1 ZINC000796049034 723618950 /nfs/dbraw/zinc/61/89/50/723618950.db2.gz FEXVUIJUFYFVLB-HXUWFJFHSA-N 1 1 355.869 3.457 20 30 FGEDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000772797644 723768318 /nfs/dbraw/zinc/76/83/18/723768318.db2.gz HUWHETCVXZZLJO-INIZCTEOSA-N 1 1 355.463 3.343 20 30 FGEDMO C[NH+](C)Cc1cc(NC(=O)C#Cc2ccc3c(c2)OCO3)ccc1Cl ZINC000799058115 723985451 /nfs/dbraw/zinc/98/54/51/723985451.db2.gz GOVKKHGLNCGQEO-UHFFFAOYSA-N 1 1 356.809 3.121 20 30 FGEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000799122841 723989288 /nfs/dbraw/zinc/98/92/88/723989288.db2.gz YCWORZIHMQYIJB-MRXNPFEDSA-N 1 1 351.491 3.028 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000799335538 724013651 /nfs/dbraw/zinc/01/36/51/724013651.db2.gz GORCGFQTCJFRDC-LJQANCHMSA-N 1 1 358.825 3.002 20 30 FGEDMO Clc1ccc(OC2CCCC2)c(C=NNCCC[NH+]2CCOCC2)c1 ZINC000799489993 724034449 /nfs/dbraw/zinc/03/44/49/724034449.db2.gz KSZYHGMRVHQUNC-UHFFFAOYSA-N 1 1 365.905 3.307 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000799513082 724037879 /nfs/dbraw/zinc/03/78/79/724037879.db2.gz YYMBQOZHOYPWNR-ZDUSSCGKSA-N 1 1 372.416 3.228 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)[C@H]1CCCO1 ZINC000775799028 724062949 /nfs/dbraw/zinc/06/29/49/724062949.db2.gz MQJNMVDATFYJRH-TZMCWYRMSA-N 1 1 360.198 3.321 20 30 FGEDMO C[C@H](C#N)OCC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000801947728 724349125 /nfs/dbraw/zinc/34/91/25/724349125.db2.gz AJIFTKDFVPTAID-CQSZACIVSA-N 1 1 367.287 3.359 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784483706 724857482 /nfs/dbraw/zinc/85/74/82/724857482.db2.gz KTDQONKPBBXSAO-OAHLLOKOSA-N 1 1 353.388 3.257 20 30 FGEDMO C#CCCC[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000805820981 725098157 /nfs/dbraw/zinc/09/81/57/725098157.db2.gz BGPUUSCWZNVCPT-UHFFFAOYSA-N 1 1 371.344 3.058 20 30 FGEDMO C#CCCC[N@@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000805820981 725098161 /nfs/dbraw/zinc/09/81/61/725098161.db2.gz BGPUUSCWZNVCPT-UHFFFAOYSA-N 1 1 371.344 3.058 20 30 FGEDMO C#CCC(CC#C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000806830002 725145381 /nfs/dbraw/zinc/14/53/81/725145381.db2.gz ZOFMJZNAKBBZFZ-FQEVSTJZSA-N 1 1 356.897 3.474 20 30 FGEDMO C#CCC(CC#C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000806830002 725145384 /nfs/dbraw/zinc/14/53/84/725145384.db2.gz ZOFMJZNAKBBZFZ-FQEVSTJZSA-N 1 1 356.897 3.474 20 30 FGEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000810784702 725327436 /nfs/dbraw/zinc/32/74/36/725327436.db2.gz MRFWMRAGGZRLAI-FPOVZHCZSA-N 1 1 352.865 3.425 20 30 FGEDMO C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000810784702 725327438 /nfs/dbraw/zinc/32/74/38/725327438.db2.gz 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NHHMVGFLZKAETK-JWRYVHENSA-N 1 1 356.432 3.205 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)s1 ZINC001007381113 765592699 /nfs/dbraw/zinc/59/26/99/765592699.db2.gz ZOSWACBLJWLEAD-YYAJDYIMSA-N 1 1 355.507 3.303 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)s1 ZINC001007381113 765592704 /nfs/dbraw/zinc/59/27/04/765592704.db2.gz ZOSWACBLJWLEAD-YYAJDYIMSA-N 1 1 355.507 3.303 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001027585909 766098493 /nfs/dbraw/zinc/09/84/93/766098493.db2.gz RUUCQDKRAACORJ-QRVBRYPASA-N 1 1 362.901 3.354 20 30 FGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001028632544 766126991 /nfs/dbraw/zinc/12/69/91/766126991.db2.gz LSVHNNQITDUTFW-BFHYXJOUSA-N 1 1 350.812 3.322 20 30 FGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC001028632544 766126994 /nfs/dbraw/zinc/12/69/94/766126994.db2.gz LSVHNNQITDUTFW-BFHYXJOUSA-N 1 1 350.812 3.322 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001028810016 766133683 /nfs/dbraw/zinc/13/36/83/766133683.db2.gz UEJBDFHTTZXJNQ-QBIMZIAESA-N 1 1 366.864 3.008 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001028810016 766133687 /nfs/dbraw/zinc/13/36/87/766133687.db2.gz UEJBDFHTTZXJNQ-QBIMZIAESA-N 1 1 366.864 3.008 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC=C(Cl)Cl)C1 ZINC001034213618 766232925 /nfs/dbraw/zinc/23/29/25/766232925.db2.gz VSPDGMXKUHMVKJ-ZNMIVQPWSA-N 1 1 361.313 3.257 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC=C(Cl)Cl)C1 ZINC001034213618 766232933 /nfs/dbraw/zinc/23/29/33/766232933.db2.gz VSPDGMXKUHMVKJ-ZNMIVQPWSA-N 1 1 361.313 3.257 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC(F)(F)F)C1 ZINC001034436925 766242564 /nfs/dbraw/zinc/24/25/64/766242564.db2.gz QQWVYYDFQOSISQ-PMPSAXMXSA-N 1 1 362.436 3.281 20 30 FGEDMO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)CC2 ZINC001035195620 766256707 /nfs/dbraw/zinc/25/67/07/766256707.db2.gz GHSWWEZMEFSGOU-HZPDHXFCSA-N 1 1 356.432 3.303 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001035236926 766258331 /nfs/dbraw/zinc/25/83/31/766258331.db2.gz FTNLFVLTNCYODQ-AJPIGDEESA-N 1 1 352.906 3.035 20 30 FGEDMO C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCO[C@H]3C(=C)C)CC2)C1 ZINC001039160172 766293087 /nfs/dbraw/zinc/29/30/87/766293087.db2.gz JCWAYURUOZWLSV-FHWLQOOXSA-N 1 1 366.933 3.281 20 30 FGEDMO CC[C@@H]1C[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001040408010 766304549 /nfs/dbraw/zinc/30/45/49/766304549.db2.gz NOLHSXRKLQCXFK-ZTNFWEORSA-N 1 1 357.523 3.480 20 30 FGEDMO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@]13CCC[C@H]1OCC3)C2 ZINC001045952360 766577569 /nfs/dbraw/zinc/57/75/69/766577569.db2.gz MPPSOUCMXJSZNK-HOJAQTOUSA-N 1 1 366.933 3.403 20 30 FGEDMO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCO[C@H]1C(=C)C)C2 ZINC001048570004 766720435 /nfs/dbraw/zinc/72/04/35/766720435.db2.gz CFVNUTVDVSMLJR-PJVZLEMVSA-N 1 1 366.933 3.469 20 30 FGEDMO C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)C2 ZINC001054210641 767002490 /nfs/dbraw/zinc/00/24/90/767002490.db2.gz TZKPPPUCDCDAPA-QKNQBKEWSA-N 1 1 356.897 3.391 20 30 FGEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000052869357 221040729 /nfs/dbraw/zinc/04/07/29/221040729.db2.gz HDLKZKKJLAKCPL-OAQYLSRUSA-N 1 1 358.482 3.335 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000518003198 503885754 /nfs/dbraw/zinc/88/57/54/503885754.db2.gz JWGRPYFRDLJAHQ-RTWAWAEBSA-N 1 1 350.462 3.253 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC000568021600 505597691 /nfs/dbraw/zinc/59/76/91/505597691.db2.gz YYHOCWQFHMDAQM-INIZCTEOSA-N 1 1 352.438 3.100 20 30 FGEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@@H](C)C1 ZINC000576808988 505599636 /nfs/dbraw/zinc/59/96/36/505599636.db2.gz ORAYTMTVPXARQJ-OBNJBMLMSA-N 1 1 366.509 3.307 20 30 FGEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000576853071 505609407 /nfs/dbraw/zinc/60/94/07/505609407.db2.gz JZQUSKMARYGZOH-FQEVSTJZSA-N 1 1 363.461 3.303 20 30 FGEDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000576853071 505609405 /nfs/dbraw/zinc/60/94/05/505609405.db2.gz JZQUSKMARYGZOH-FQEVSTJZSA-N 1 1 363.461 3.303 20 30 FGEDMO C[N@H+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC12CCCCC2 ZINC000570940588 505617001 /nfs/dbraw/zinc/61/70/01/505617001.db2.gz WEMGMVMGGGUYBJ-UHFFFAOYSA-N 1 1 351.454 3.059 20 30 FGEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nnc3ccc(C(F)(F)F)cn31)CC2 ZINC000571129306 505659268 /nfs/dbraw/zinc/65/92/68/505659268.db2.gz KYHRIBYZXJPCBT-OAHLLOKOSA-N 1 1 357.339 3.397 20 30 FGEDMO Cc1nc2ccccc2nc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000048041525 493776222 /nfs/dbraw/zinc/77/62/22/493776222.db2.gz LNLDHVJXRRYDLY-UHFFFAOYSA-N 1 1 361.424 3.271 20 30 FGEDMO N#Cc1c(F)cccc1N1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000048054657 493777965 /nfs/dbraw/zinc/77/79/65/493777965.db2.gz PQFHAGNQIUGFIL-UHFFFAOYSA-N 1 1 357.404 3.428 20 30 FGEDMO C[C@H](Sc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000068577688 493844727 /nfs/dbraw/zinc/84/47/27/493844727.db2.gz JHDKDQPCTZXMGR-LPHOPBHVSA-N 1 1 365.502 3.430 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000029749915 493855809 /nfs/dbraw/zinc/85/58/09/493855809.db2.gz MXLOTFJZQZGJRI-KSSFIOAISA-N 1 1 371.868 3.398 20 30 FGEDMO N#Cc1ccc(CSCC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000081289857 493860668 /nfs/dbraw/zinc/86/06/68/493860668.db2.gz YAQRBFIBMAOPTG-LJQANCHMSA-N 1 1 357.523 3.172 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000030030721 493875151 /nfs/dbraw/zinc/87/51/51/493875151.db2.gz DLWBLTCMGYJQKT-LJQANCHMSA-N 1 1 366.461 3.389 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000030030721 493875153 /nfs/dbraw/zinc/87/51/53/493875153.db2.gz DLWBLTCMGYJQKT-LJQANCHMSA-N 1 1 366.461 3.389 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000050108068 493898850 /nfs/dbraw/zinc/89/88/50/493898850.db2.gz FPSQMDHJWJJDSW-UHFFFAOYSA-N 1 1 364.449 3.225 20 30 FGEDMO CCOC[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000081521325 493910154 /nfs/dbraw/zinc/91/01/54/493910154.db2.gz OKGAYNLPMCWJTC-AWEZNQCLSA-N 1 1 361.511 3.186 20 30 FGEDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081533583 493911610 /nfs/dbraw/zinc/91/16/10/493911610.db2.gz PFTSFRAEHRDYFV-NRFANRHFSA-N 1 1 362.477 3.093 20 30 FGEDMO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081533583 493911613 /nfs/dbraw/zinc/91/16/13/493911613.db2.gz PFTSFRAEHRDYFV-NRFANRHFSA-N 1 1 362.477 3.093 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000081533583 493911616 /nfs/dbraw/zinc/91/16/16/493911616.db2.gz PFTSFRAEHRDYFV-NRFANRHFSA-N 1 1 362.477 3.093 20 30 FGEDMO N#CC1CC[NH+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)CC1 ZINC000060893078 493957615 /nfs/dbraw/zinc/95/76/15/493957615.db2.gz JNUARYAALKGAGC-UHFFFAOYSA-N 1 1 365.399 3.432 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000051852226 493990885 /nfs/dbraw/zinc/99/08/85/493990885.db2.gz QVRZPQBQPZUACY-UHFFFAOYSA-N 1 1 366.440 3.238 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2sccc2C#N)C[C@@H](C)O1 ZINC000052031260 494000457 /nfs/dbraw/zinc/00/04/57/494000457.db2.gz XVZYEEAYGXIAQZ-HUUCEWRRSA-N 1 1 369.490 3.159 20 30 FGEDMO CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000077024341 494010960 /nfs/dbraw/zinc/01/09/60/494010960.db2.gz RWPACCANPDUTIR-UHFFFAOYSA-N 1 1 352.400 3.438 20 30 FGEDMO CC(C)OCc1ccc(CNC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000052580528 494042644 /nfs/dbraw/zinc/04/26/44/494042644.db2.gz DFCNTJBCHVCQHP-UHFFFAOYSA-N 1 1 365.477 3.231 20 30 FGEDMO CC(C)OCc1ccc(CNC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000052580528 494042646 /nfs/dbraw/zinc/04/26/46/494042646.db2.gz DFCNTJBCHVCQHP-UHFFFAOYSA-N 1 1 365.477 3.231 20 30 FGEDMO C[C@@H](OCCCNC(=O)C[N@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000052580734 494042726 /nfs/dbraw/zinc/04/27/26/494042726.db2.gz PCKTVJWXZINTHF-GOSISDBHSA-N 1 1 365.477 3.274 20 30 FGEDMO C[C@@H](OCCCNC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000052580734 494042731 /nfs/dbraw/zinc/04/27/31/494042731.db2.gz PCKTVJWXZINTHF-GOSISDBHSA-N 1 1 365.477 3.274 20 30 FGEDMO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000577262923 505696192 /nfs/dbraw/zinc/69/61/92/505696192.db2.gz VWCCSYABGUOTKG-INIZCTEOSA-N 1 1 369.494 3.163 20 30 FGEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000577262923 505696197 /nfs/dbraw/zinc/69/61/97/505696197.db2.gz VWCCSYABGUOTKG-INIZCTEOSA-N 1 1 369.494 3.163 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000077371803 494068816 /nfs/dbraw/zinc/06/88/16/494068816.db2.gz XHIFUQWHMDZBHM-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000577265582 505697812 /nfs/dbraw/zinc/69/78/12/505697812.db2.gz PDGDFODTGAAENB-ZMYBRWDISA-N 1 1 354.454 3.275 20 30 FGEDMO CC(C)[N@@H+](CC(=O)N1CCc2sccc2C1)Cc1ccc(C#N)cc1 ZINC000063750781 494083064 /nfs/dbraw/zinc/08/30/64/494083064.db2.gz XMWCVOHIIXYEBX-UHFFFAOYSA-N 1 1 353.491 3.415 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000064229558 494107377 /nfs/dbraw/zinc/10/73/77/494107377.db2.gz ZYYWCRPBKPYUAS-UHFFFAOYSA-N 1 1 350.466 3.352 20 30 FGEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(CC#N)cc2)cc1 ZINC000053398835 494125773 /nfs/dbraw/zinc/12/57/73/494125773.db2.gz XXUCBNARJZSVPT-UGKGYDQZSA-N 1 1 366.461 3.338 20 30 FGEDMO Cc1ccccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053975879 494180704 /nfs/dbraw/zinc/18/07/04/494180704.db2.gz ZYVKDAWECFFIAM-UHFFFAOYSA-N 1 1 362.477 3.284 20 30 FGEDMO C=CCCCN(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000077861450 494193035 /nfs/dbraw/zinc/19/30/35/494193035.db2.gz IYEMZNKLGJKKOF-QGZVFWFLSA-N 1 1 357.498 3.282 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+](CCO)[C@@H]3CCc4ccccc43)o2)c1 ZINC000072632254 494222230 /nfs/dbraw/zinc/22/22/30/494222230.db2.gz XQHOYDPDIQATDF-LJQANCHMSA-N 1 1 360.417 3.090 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+](CCO)[C@@H]3CCc4ccccc43)o2)c1 ZINC000072632254 494222235 /nfs/dbraw/zinc/22/22/35/494222235.db2.gz XQHOYDPDIQATDF-LJQANCHMSA-N 1 1 360.417 3.090 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000054396382 494230966 /nfs/dbraw/zinc/23/09/66/494230966.db2.gz PLLAIWURBUDKHN-LBPRGKRZSA-N 1 1 369.387 3.243 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000054396382 494230971 /nfs/dbraw/zinc/23/09/71/494230971.db2.gz PLLAIWURBUDKHN-LBPRGKRZSA-N 1 1 369.387 3.243 20 30 FGEDMO COC1CC[NH+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC000054619934 494252847 /nfs/dbraw/zinc/25/28/47/494252847.db2.gz XCCJBANIVZIWML-UHFFFAOYSA-N 1 1 366.465 3.015 20 30 FGEDMO Cc1cc(C)c2ncc(C#N)c(N3CCC[N@H+](C4CCOCC4)CC3)c2c1 ZINC000078294908 494272800 /nfs/dbraw/zinc/27/28/00/494272800.db2.gz WGGBKHHSNSDTID-UHFFFAOYSA-N 1 1 364.493 3.414 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000054985001 494289352 /nfs/dbraw/zinc/28/93/52/494289352.db2.gz AYSIQTWXRUUYJE-QFIPXVFZSA-N 1 1 372.472 3.290 20 30 FGEDMO COc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000078434638 494296834 /nfs/dbraw/zinc/29/68/34/494296834.db2.gz NBOOUGXLMIPBOT-HXUWFJFHSA-N 1 1 366.461 3.166 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(C#N)nnc2ccccc21 ZINC000078675047 494341896 /nfs/dbraw/zinc/34/18/96/494341896.db2.gz KVSPAXGAGHUNQS-GOSISDBHSA-N 1 1 357.461 3.460 20 30 FGEDMO C=CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1nc2c(s1)CCCC2 ZINC000568519216 505714861 /nfs/dbraw/zinc/71/48/61/505714861.db2.gz BNLNRWMCDSOKJI-CQSZACIVSA-N 1 1 356.495 3.308 20 30 FGEDMO N#Cc1ccccc1OCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000073338733 494359609 /nfs/dbraw/zinc/35/96/09/494359609.db2.gz GUJQEZFMKHWFGE-UHFFFAOYSA-N 1 1 370.478 3.408 20 30 FGEDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000073495816 494379790 /nfs/dbraw/zinc/37/97/90/494379790.db2.gz JJABZZUDJBKVJM-LJQANCHMSA-N 1 1 351.406 3.010 20 30 FGEDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000073495816 494379794 /nfs/dbraw/zinc/37/97/94/494379794.db2.gz JJABZZUDJBKVJM-LJQANCHMSA-N 1 1 351.406 3.010 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000577409260 505721794 /nfs/dbraw/zinc/72/17/94/505721794.db2.gz UMLPSZGPEAJTOR-DZGCQCFKSA-N 1 1 366.490 3.320 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000577409260 505721798 /nfs/dbraw/zinc/72/17/98/505721798.db2.gz UMLPSZGPEAJTOR-DZGCQCFKSA-N 1 1 366.490 3.320 20 30 FGEDMO C=C(C)CN(CC)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045787691 494462278 /nfs/dbraw/zinc/46/22/78/494462278.db2.gz GQVUCEKTUSHQCL-HDICACEKSA-N 1 1 359.514 3.403 20 30 FGEDMO CCN(C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1)C1CCCCC1 ZINC000046086752 494492948 /nfs/dbraw/zinc/49/29/48/494492948.db2.gz VIUKIHSIUXORMG-UHFFFAOYSA-N 1 1 368.525 3.252 20 30 FGEDMO CCN(C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1)C1CCCCC1 ZINC000046086752 494492952 /nfs/dbraw/zinc/49/29/52/494492952.db2.gz VIUKIHSIUXORMG-UHFFFAOYSA-N 1 1 368.525 3.252 20 30 FGEDMO C[N@@H+](Cc1ccccc1C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000074289032 494511355 /nfs/dbraw/zinc/51/13/55/494511355.db2.gz LISPAZBELZZJGR-QGZVFWFLSA-N 1 1 364.367 3.449 20 30 FGEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000074289032 494511359 /nfs/dbraw/zinc/51/13/59/494511359.db2.gz LISPAZBELZZJGR-QGZVFWFLSA-N 1 1 364.367 3.449 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000067319534 494514312 /nfs/dbraw/zinc/51/43/12/494514312.db2.gz AZBJOCCVJIOAKH-IBGZPJMESA-N 1 1 361.486 3.120 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(F)cc2)c(OC)c1 ZINC000046342792 494517908 /nfs/dbraw/zinc/51/79/08/494517908.db2.gz ARPKFFMCPKEOLQ-IBGZPJMESA-N 1 1 359.441 3.435 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)CN2CCC(CC[NH+](C)C)CC2)c1C ZINC000056521955 494519931 /nfs/dbraw/zinc/51/99/31/494519931.db2.gz VDHGOUXHXZUEFO-UHFFFAOYSA-N 1 1 370.541 3.214 20 30 FGEDMO C[C@H](C(=O)NCc1ccc(-c2ccccc2C#N)cc1)[NH+]1CCSCC1 ZINC000091101250 494533617 /nfs/dbraw/zinc/53/36/17/494533617.db2.gz NXUGNODYYGGSPW-MRXNPFEDSA-N 1 1 365.502 3.279 20 30 FGEDMO CN(C(=O)NCC#Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074846837 494620394 /nfs/dbraw/zinc/62/03/94/494620394.db2.gz XVHOWIIDWZHQRX-QFIPXVFZSA-N 1 1 361.489 3.344 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCCN(c3nccs3)CC2)cc1OC ZINC000092482736 494640688 /nfs/dbraw/zinc/64/06/88/494640688.db2.gz OVJOFYBMKOAXJT-UHFFFAOYSA-N 1 1 359.495 3.429 20 30 FGEDMO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC(C)(C)CCC#N ZINC000092512173 494652379 /nfs/dbraw/zinc/65/23/79/494652379.db2.gz QTCRLFXQZSDWGV-UHFFFAOYSA-N 1 1 352.500 3.121 20 30 FGEDMO C=CCOc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000047275753 494670405 /nfs/dbraw/zinc/67/04/05/494670405.db2.gz ZLLKOJQVAUNYTG-UHFFFAOYSA-N 1 1 364.405 3.401 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000131628005 494679832 /nfs/dbraw/zinc/67/98/32/494679832.db2.gz LIJZIYCSWKNQRE-MRXNPFEDSA-N 1 1 351.903 3.192 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3C#N)c2)CCO1 ZINC000067903810 494689494 /nfs/dbraw/zinc/68/94/94/494689494.db2.gz JZMVFEINPVFCMC-OAHLLOKOSA-N 1 1 366.421 3.299 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cc3C#N)c2)CCO1 ZINC000067903810 494689503 /nfs/dbraw/zinc/68/95/03/494689503.db2.gz JZMVFEINPVFCMC-OAHLLOKOSA-N 1 1 366.421 3.299 20 30 FGEDMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025233589 494711675 /nfs/dbraw/zinc/71/16/75/494711675.db2.gz XYQAJCAKDCHSCZ-MRXNPFEDSA-N 1 1 367.474 3.234 20 30 FGEDMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025233589 494711680 /nfs/dbraw/zinc/71/16/80/494711680.db2.gz XYQAJCAKDCHSCZ-MRXNPFEDSA-N 1 1 367.474 3.234 20 30 FGEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000092707854 494720535 /nfs/dbraw/zinc/72/05/35/494720535.db2.gz JZKNAEIUPNBCJA-IBGZPJMESA-N 1 1 356.514 3.165 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)c2ccncc2)c(OC)c1 ZINC000091990152 494746911 /nfs/dbraw/zinc/74/69/11/494746911.db2.gz GQIQPZPGTMLOGF-LPHOPBHVSA-N 1 1 356.466 3.251 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000025508310 494749565 /nfs/dbraw/zinc/74/95/65/494749565.db2.gz LOIHCCMCIOLKJT-GASCZTMLSA-N 1 1 352.400 3.151 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000092795931 494751114 /nfs/dbraw/zinc/75/11/14/494751114.db2.gz HIQNHXZJHLVWGU-UHFFFAOYSA-N 1 1 355.482 3.128 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC000092803743 494753912 /nfs/dbraw/zinc/75/39/12/494753912.db2.gz QWIWXQPDSZVFBU-UHFFFAOYSA-N 1 1 371.481 3.312 20 30 FGEDMO C[N@@H+](CCOc1cccc(Cl)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025697753 494770817 /nfs/dbraw/zinc/77/08/17/494770817.db2.gz BOUGZSKHJKCMSK-SFHVURJKSA-N 1 1 374.868 3.157 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)ccc1OC ZINC000092097559 494787241 /nfs/dbraw/zinc/78/72/41/494787241.db2.gz WOISVNATNXPTIK-CEXWTWQISA-N 1 1 361.482 3.418 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)ccc1OC ZINC000092097559 494787245 /nfs/dbraw/zinc/78/72/45/494787245.db2.gz WOISVNATNXPTIK-CEXWTWQISA-N 1 1 361.482 3.418 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)o1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000092189628 494807349 /nfs/dbraw/zinc/80/73/49/494807349.db2.gz FLMJGTNHPXPJOH-CYBMUJFWSA-N 1 1 354.328 3.042 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)o1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000092189628 494807356 /nfs/dbraw/zinc/80/73/56/494807356.db2.gz FLMJGTNHPXPJOH-CYBMUJFWSA-N 1 1 354.328 3.042 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026324891 494816825 /nfs/dbraw/zinc/81/68/25/494816825.db2.gz ADWBQIWBMDBUGB-AWEZNQCLSA-N 1 1 353.422 3.034 20 30 FGEDMO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026324891 494816827 /nfs/dbraw/zinc/81/68/27/494816827.db2.gz ADWBQIWBMDBUGB-AWEZNQCLSA-N 1 1 353.422 3.034 20 30 FGEDMO CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253431 494822664 /nfs/dbraw/zinc/82/26/64/494822664.db2.gz ACNHUFVFCSDITA-SFHVURJKSA-N 1 1 351.498 3.237 20 30 FGEDMO CN1CCC[C@H](C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092253431 494822682 /nfs/dbraw/zinc/82/26/82/494822682.db2.gz ACNHUFVFCSDITA-SFHVURJKSA-N 1 1 351.498 3.237 20 30 FGEDMO CN1CCC[C@H](C[N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092253431 494822686 /nfs/dbraw/zinc/82/26/86/494822686.db2.gz ACNHUFVFCSDITA-SFHVURJKSA-N 1 1 351.498 3.237 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(c3ncc(C#N)cc3Cl)CC2)cc1 ZINC000116715468 494842010 /nfs/dbraw/zinc/84/20/10/494842010.db2.gz JQNCFGFXNQLBRP-UHFFFAOYSA-N 1 1 356.857 3.328 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)ccc1OC ZINC000574320124 505746094 /nfs/dbraw/zinc/74/60/94/505746094.db2.gz PTDCJCBBMYVYET-GOSISDBHSA-N 1 1 360.498 3.388 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000127026701 494881684 /nfs/dbraw/zinc/88/16/84/494881684.db2.gz METWINKSAMGLJB-UHFFFAOYSA-N 1 1 351.450 3.035 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000127026701 494881688 /nfs/dbraw/zinc/88/16/88/494881688.db2.gz METWINKSAMGLJB-UHFFFAOYSA-N 1 1 351.450 3.035 20 30 FGEDMO CC(C)(C)C[N@@H+](CCCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000109747665 494914435 /nfs/dbraw/zinc/91/44/35/494914435.db2.gz VWYYVTURPCPXDJ-UHFFFAOYSA-N 1 1 351.878 3.271 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccsc3C2)c(OC)c1 ZINC000132745104 494917969 /nfs/dbraw/zinc/91/79/69/494917969.db2.gz ACVBMCGQTMDEFV-KRWDZBQOSA-N 1 1 359.491 3.283 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCCN(c3nc(CC)ns3)CC2)cc1 ZINC000093871445 494929501 /nfs/dbraw/zinc/92/95/01/494929501.db2.gz TXTVDXBZIDMXIL-UHFFFAOYSA-N 1 1 358.511 3.378 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1OCCCC#N ZINC000093870522 494929729 /nfs/dbraw/zinc/92/97/29/494929729.db2.gz DWXGATSOUQIABK-SFHVURJKSA-N 1 1 368.481 3.176 20 30 FGEDMO N#Cc1cnc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000133040640 494960077 /nfs/dbraw/zinc/96/00/77/494960077.db2.gz KDJLGDIUCAGDQS-UHFFFAOYSA-N 1 1 361.371 3.079 20 30 FGEDMO CCOC(=O)CCCCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000117871968 494961020 /nfs/dbraw/zinc/96/10/20/494961020.db2.gz LBHMRIFSOMVZRC-UHFFFAOYSA-N 1 1 357.498 3.189 20 30 FGEDMO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000127697322 494983108 /nfs/dbraw/zinc/98/31/08/494983108.db2.gz XQOBOQFGQZHLBN-MRXNPFEDSA-N 1 1 362.832 3.417 20 30 FGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000118394346 494999867 /nfs/dbraw/zinc/99/98/67/494999867.db2.gz IVNQCMBXOPATQW-KRWDZBQOSA-N 1 1 369.490 3.016 20 30 FGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000118394346 494999871 /nfs/dbraw/zinc/99/98/71/494999871.db2.gz IVNQCMBXOPATQW-KRWDZBQOSA-N 1 1 369.490 3.016 20 30 FGEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000122752027 495025634 /nfs/dbraw/zinc/02/56/34/495025634.db2.gz HRWOYQSSYPMRKU-OAQYLSRUSA-N 1 1 363.461 3.190 20 30 FGEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000118822875 495042228 /nfs/dbraw/zinc/04/22/28/495042228.db2.gz UMGLBLIKTGBIAU-IBGZPJMESA-N 1 1 362.477 3.287 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)ccc1Cl ZINC000119013969 495070873 /nfs/dbraw/zinc/07/08/73/495070873.db2.gz LUHKDJIQQDUIID-QGZVFWFLSA-N 1 1 363.889 3.130 20 30 FGEDMO C=CC1CCN(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000111477944 495080259 /nfs/dbraw/zinc/08/02/59/495080259.db2.gz CGBIJZDNIVSICT-KRWDZBQOSA-N 1 1 357.498 3.015 20 30 FGEDMO C=CC1CCN(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000111477944 495080262 /nfs/dbraw/zinc/08/02/62/495080262.db2.gz CGBIJZDNIVSICT-KRWDZBQOSA-N 1 1 357.498 3.015 20 30 FGEDMO CC[NH+](CC)[C@H](CNCc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000123272347 495107204 /nfs/dbraw/zinc/10/72/04/495107204.db2.gz LWZDWFXSZPSZDO-FQEVSTJZSA-N 1 1 361.493 3.249 20 30 FGEDMO CC[C@H](O)C[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000134476874 495155291 /nfs/dbraw/zinc/15/52/91/495155291.db2.gz DIGXBAYRWBWUGN-IBGZPJMESA-N 1 1 354.450 3.219 20 30 FGEDMO N#Cc1ccc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000134906984 495220285 /nfs/dbraw/zinc/22/02/85/495220285.db2.gz IETJMUXCZQZXND-BEFAXECRSA-N 1 1 372.900 3.099 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000112678321 495222639 /nfs/dbraw/zinc/22/26/39/495222639.db2.gz GLHYUUUDABHOEJ-UHFFFAOYSA-N 1 1 374.529 3.131 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000112678321 495222643 /nfs/dbraw/zinc/22/26/43/495222643.db2.gz GLHYUUUDABHOEJ-UHFFFAOYSA-N 1 1 374.529 3.131 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000119780780 495240255 /nfs/dbraw/zinc/24/02/55/495240255.db2.gz XNMAJJVJCOHZEI-XLIONFOSSA-N 1 1 351.494 3.463 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000129481120 495251423 /nfs/dbraw/zinc/25/14/23/495251423.db2.gz FTTFTIYWYXSVDH-UHFFFAOYSA-N 1 1 354.420 3.106 20 30 FGEDMO CC[N@@H+](Cc1cnc(N2CCOCC2)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000119853784 495255665 /nfs/dbraw/zinc/25/56/65/495255665.db2.gz KWLKCDUWLRSYGX-OAHLLOKOSA-N 1 1 356.495 3.434 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)NCC[N@@H+](C)C2CCCC2)c1C#N ZINC000104573157 495291425 /nfs/dbraw/zinc/29/14/25/495291425.db2.gz CYLBUDNWZOEYOG-UHFFFAOYSA-N 1 1 358.511 3.157 20 30 FGEDMO C=CCc1cc(CNCC2([NH+]3CCCCC3)CCOCC2)cc(OC)c1O ZINC000113341516 495297584 /nfs/dbraw/zinc/29/75/84/495297584.db2.gz MVTRHBLTOJNAHC-UHFFFAOYSA-N 1 1 374.525 3.254 20 30 FGEDMO N#Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000129862104 495306515 /nfs/dbraw/zinc/30/65/15/495306515.db2.gz PFZGSAOPPZUFCQ-UHFFFAOYSA-N 1 1 370.456 3.434 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccccc2OCC#N)C1 ZINC000113901211 495334997 /nfs/dbraw/zinc/33/49/97/495334997.db2.gz XDRYMICSYURVPN-MSOLQXFVSA-N 1 1 355.482 3.316 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120437835 495378277 /nfs/dbraw/zinc/37/82/77/495378277.db2.gz IXFVJHXAFAUKCT-LJHODMEESA-N 1 1 363.889 3.236 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120437835 495378283 /nfs/dbraw/zinc/37/82/83/495378283.db2.gz IXFVJHXAFAUKCT-LJHODMEESA-N 1 1 363.889 3.236 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@](C)(O)C2)ccc1OCc1cccc(C#N)c1 ZINC000125103958 495391044 /nfs/dbraw/zinc/39/10/44/495391044.db2.gz ZEYCKVHBTRMQCG-QFIPXVFZSA-N 1 1 366.461 3.493 20 30 FGEDMO COc1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000114716428 495414392 /nfs/dbraw/zinc/41/43/92/495414392.db2.gz LZUUJGHLSWONNG-UHFFFAOYSA-N 1 1 365.477 3.436 20 30 FGEDMO N#CCc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000125302387 495422801 /nfs/dbraw/zinc/42/28/01/495422801.db2.gz HQIPURXMSIZDEE-UHFFFAOYSA-N 1 1 373.460 3.364 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC2CCC(C#N)CC2)C1 ZINC000574475512 505781134 /nfs/dbraw/zinc/78/11/34/505781134.db2.gz XTZVKRRMGMAWED-KMEYYKJISA-N 1 1 354.498 3.451 20 30 FGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000130710501 495433306 /nfs/dbraw/zinc/43/33/06/495433306.db2.gz IKRMQNXPNIVJBT-MSOLQXFVSA-N 1 1 363.889 3.212 20 30 FGEDMO CC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000125416277 495440702 /nfs/dbraw/zinc/44/07/02/495440702.db2.gz YTNSHWXAMCKVMU-INIZCTEOSA-N 1 1 354.454 3.288 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000125458222 495447859 /nfs/dbraw/zinc/44/78/59/495447859.db2.gz PDSRDRJCEHMLNY-PXAZEXFGSA-N 1 1 360.820 3.102 20 30 FGEDMO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000106755413 495493540 /nfs/dbraw/zinc/49/35/40/495493540.db2.gz WVFWTESHXDFOQZ-UHFFFAOYSA-N 1 1 365.408 3.410 20 30 FGEDMO CC(C)[N@@H+](C)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000115384696 495498026 /nfs/dbraw/zinc/49/80/26/495498026.db2.gz AJCTWULFUKTNKQ-UHFFFAOYSA-N 1 1 351.450 3.207 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)[C@H]2CCOC2)c1C#N ZINC000106885447 495506587 /nfs/dbraw/zinc/50/65/87/495506587.db2.gz CCQAMVLNERGQTB-KRWDZBQOSA-N 1 1 358.486 3.141 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@H]2CCOC2)c1C#N ZINC000106885447 495506589 /nfs/dbraw/zinc/50/65/89/495506589.db2.gz CCQAMVLNERGQTB-KRWDZBQOSA-N 1 1 358.486 3.141 20 30 FGEDMO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC000115536217 495514164 /nfs/dbraw/zinc/51/41/64/495514164.db2.gz HBHOOYKUOSEFFL-HXUWFJFHSA-N 1 1 351.425 3.178 20 30 FGEDMO CN1CCO[C@H]([C@H]([NH2+]Cc2ccc(C#N)s2)c2ccc(Cl)cc2)C1 ZINC000154330006 495583164 /nfs/dbraw/zinc/58/31/64/495583164.db2.gz VZEMTOGPZBXZKW-ZWKOTPCHSA-N 1 1 361.898 3.435 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185481003 495592964 /nfs/dbraw/zinc/59/29/64/495592964.db2.gz AFMPMKMYNUIYKV-IAGOWNOFSA-N 1 1 374.554 3.158 20 30 FGEDMO N#Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1F ZINC000577791093 505792881 /nfs/dbraw/zinc/79/28/81/505792881.db2.gz RBCWAEFLUYLCGN-SFHVURJKSA-N 1 1 352.413 3.483 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](c3ccncc3)C2)c1C ZINC000571699327 505793179 /nfs/dbraw/zinc/79/31/79/505793179.db2.gz YNFOJZLARVRZDQ-FQEVSTJZSA-N 1 1 362.477 3.435 20 30 FGEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H](OCCO)C3)c2)c1 ZINC000179578359 495648607 /nfs/dbraw/zinc/64/86/07/495648607.db2.gz VJQVFYGYSBTMHN-QFIPXVFZSA-N 1 1 366.461 3.111 20 30 FGEDMO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1nnc2ccccn21 ZINC000182730768 495680165 /nfs/dbraw/zinc/68/01/65/495680165.db2.gz NINLALYRPZBOSC-ZDUSSCGKSA-N 1 1 360.339 3.330 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000574540859 505797156 /nfs/dbraw/zinc/79/71/56/505797156.db2.gz UARCEZKEEMKLBR-FBEWHJACSA-N 1 1 359.473 3.298 20 30 FGEDMO COc1cc(C#N)ccc1OCCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694849 495684103 /nfs/dbraw/zinc/68/41/03/495684103.db2.gz LMLQPQVGJBTMRD-FUHWJXTLSA-N 1 1 357.498 3.188 20 30 FGEDMO COc1cc(C#N)ccc1OCCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694849 495684109 /nfs/dbraw/zinc/68/41/09/495684109.db2.gz LMLQPQVGJBTMRD-FUHWJXTLSA-N 1 1 357.498 3.188 20 30 FGEDMO COc1ccc(CNc2cc(C[NH+]3CCOCC3)ccc2C)cc1C#N ZINC000151150259 495755538 /nfs/dbraw/zinc/75/55/38/495755538.db2.gz NUVYAZNCCDAQSS-UHFFFAOYSA-N 1 1 351.450 3.320 20 30 FGEDMO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000179917470 495782968 /nfs/dbraw/zinc/78/29/68/495782968.db2.gz ZQZMVAZTGHXKQM-HNNXBMFYSA-N 1 1 355.413 3.432 20 30 FGEDMO C[C@@H](CNCc1cn(C)nc1-c1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000180152222 495880845 /nfs/dbraw/zinc/88/08/45/495880845.db2.gz IJGXRSUJXFKRPN-KRWDZBQOSA-N 1 1 351.498 3.169 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000155221296 495881273 /nfs/dbraw/zinc/88/12/73/495881273.db2.gz IMIWGFLHFJQRBE-PMACEKPBSA-N 1 1 369.509 3.342 20 30 FGEDMO N#Cc1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1Cl ZINC000155249810 495891604 /nfs/dbraw/zinc/89/16/04/495891604.db2.gz QCZVFAOMBCKLQB-UHFFFAOYSA-N 1 1 369.852 3.339 20 30 FGEDMO C[C@H]1C[C@@H](N(C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@H+]1C ZINC000177056948 495904779 /nfs/dbraw/zinc/90/47/79/495904779.db2.gz FCGUGUVLXTWFBV-RDJZCZTQSA-N 1 1 362.905 3.001 20 30 FGEDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C#N)cc3)CC[N@H+]2C2CC2)c1 ZINC000183260491 495904925 /nfs/dbraw/zinc/90/49/25/495904925.db2.gz AUZBOXRJWNOGBO-LEWJYISDSA-N 1 1 361.445 3.275 20 30 FGEDMO C=CCOc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1OC ZINC000177077858 495915432 /nfs/dbraw/zinc/91/54/32/495915432.db2.gz ONWGJJYAQCUBPM-UHFFFAOYSA-N 1 1 372.440 3.261 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccco3)o2)cc1 ZINC000151745696 495935293 /nfs/dbraw/zinc/93/52/93/495935293.db2.gz DJMQVBFTLFODHP-IRXDYDNUSA-N 1 1 364.405 3.289 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3C[C@H](O)c3ccco3)o2)cc1 ZINC000151745696 495935300 /nfs/dbraw/zinc/93/53/00/495935300.db2.gz DJMQVBFTLFODHP-IRXDYDNUSA-N 1 1 364.405 3.289 20 30 FGEDMO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000574627393 505818576 /nfs/dbraw/zinc/81/85/76/505818576.db2.gz HFUJWTHERKKOED-KGLIPLIRSA-N 1 1 354.376 3.027 20 30 FGEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160798181 496044712 /nfs/dbraw/zinc/04/47/12/496044712.db2.gz RDKHFRNIOQSWCP-LJQANCHMSA-N 1 1 354.498 3.495 20 30 FGEDMO C[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000171851201 496063819 /nfs/dbraw/zinc/06/38/19/496063819.db2.gz NSSBFPPMCSROFZ-HNNXBMFYSA-N 1 1 354.429 3.017 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000171946995 496105174 /nfs/dbraw/zinc/10/51/74/496105174.db2.gz CHHNLVVMFLXEKZ-LJQANCHMSA-N 1 1 371.868 3.204 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)cc1OC ZINC000180867077 496178477 /nfs/dbraw/zinc/17/84/77/496178477.db2.gz CRGALRKAHCMBIC-JSGCOSHPSA-N 1 1 370.287 3.225 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)cc1OC ZINC000180867077 496178480 /nfs/dbraw/zinc/17/84/80/496178480.db2.gz CRGALRKAHCMBIC-JSGCOSHPSA-N 1 1 370.287 3.225 20 30 FGEDMO C=C(C)Cn1c(-c2scnc2C)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000569003897 505828083 /nfs/dbraw/zinc/82/80/83/505828083.db2.gz WCMFVIUBSHMADZ-OAHLLOKOSA-N 1 1 360.531 3.205 20 30 FGEDMO CCCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000180912662 496197163 /nfs/dbraw/zinc/19/71/63/496197163.db2.gz DUJXTHZTFRUAKR-UHFFFAOYSA-N 1 1 364.287 3.059 20 30 FGEDMO C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000162122616 496299280 /nfs/dbraw/zinc/29/92/80/496299280.db2.gz YIIFGIONIWFAST-WWMYMODYSA-N 1 1 362.477 3.439 20 30 FGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000178042918 496301285 /nfs/dbraw/zinc/30/12/85/496301285.db2.gz BFRXIQAZGYKCDY-KRWDZBQOSA-N 1 1 351.425 3.339 20 30 FGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000178042918 496301292 /nfs/dbraw/zinc/30/12/92/496301292.db2.gz BFRXIQAZGYKCDY-KRWDZBQOSA-N 1 1 351.425 3.339 20 30 FGEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000178046560 496304273 /nfs/dbraw/zinc/30/42/73/496304273.db2.gz RGEVXNCEULHBNE-IBGZPJMESA-N 1 1 363.461 3.079 20 30 FGEDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)cc1 ZINC000175277899 496319415 /nfs/dbraw/zinc/31/94/15/496319415.db2.gz GJYHKXFXEGEOPI-JOCHJYFZSA-N 1 1 361.489 3.471 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000172682533 496385838 /nfs/dbraw/zinc/38/58/38/496385838.db2.gz VGWZCCRGSLFBHC-FXAWDEMLSA-N 1 1 353.491 3.362 20 30 FGEDMO N#CCSCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000181492987 496418223 /nfs/dbraw/zinc/41/82/23/496418223.db2.gz PDLBBRAZUHYXMC-UHFFFAOYSA-N 1 1 372.321 3.331 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000157192462 496425390 /nfs/dbraw/zinc/42/53/90/496425390.db2.gz GJQUDLHSTWNGEZ-KDOFPFPSSA-N 1 1 363.889 3.078 20 30 FGEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000175564779 496444099 /nfs/dbraw/zinc/44/40/99/496444099.db2.gz XDYOTKFSGLSLDG-UHFFFAOYSA-N 1 1 355.442 3.452 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178446775 496459880 /nfs/dbraw/zinc/45/98/80/496459880.db2.gz VXBAGDCDBSTPEY-APWZRJJASA-N 1 1 368.481 3.438 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178545789 496493956 /nfs/dbraw/zinc/49/39/56/496493956.db2.gz MBTNAVSUJSTOHR-UXHICEINSA-N 1 1 362.477 3.023 20 30 FGEDMO C[C@H](NC(=O)/C=C/c1ccc(OCC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181675807 496498378 /nfs/dbraw/zinc/49/83/78/496498378.db2.gz ZYCHOVXRGIPNHD-SCLHNIASSA-N 1 1 367.493 3.371 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2C)[C@H](C)C1 ZINC000178573521 496503376 /nfs/dbraw/zinc/50/33/76/496503376.db2.gz FLKNSHQODCIRFC-CRAIPNDOSA-N 1 1 358.486 3.125 20 30 FGEDMO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000153609728 496516648 /nfs/dbraw/zinc/51/66/48/496516648.db2.gz OUJKSWBCKXJNGY-CYBMUJFWSA-N 1 1 369.421 3.346 20 30 FGEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000153609728 496516655 /nfs/dbraw/zinc/51/66/55/496516655.db2.gz OUJKSWBCKXJNGY-CYBMUJFWSA-N 1 1 369.421 3.346 20 30 FGEDMO CCc1ccc([C@H](COC)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000184798965 496536114 /nfs/dbraw/zinc/53/61/14/496536114.db2.gz GADBCQXOIPRFFM-OALUTQOASA-N 1 1 367.449 3.186 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000181811786 496554594 /nfs/dbraw/zinc/55/45/94/496554594.db2.gz UZVRTMBUDWUNSS-HOTGVXAUSA-N 1 1 352.438 3.076 20 30 FGEDMO COCCC[N@@H+](C)CCNC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000173122014 496558445 /nfs/dbraw/zinc/55/84/45/496558445.db2.gz ZSIISNGHEDODOE-OAHLLOKOSA-N 1 1 364.515 3.171 20 30 FGEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000187758299 496560072 /nfs/dbraw/zinc/56/00/72/496560072.db2.gz FTUDWSCQMAMUIT-HXUWFJFHSA-N 1 1 360.404 3.497 20 30 FGEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(F)c(F)c1 ZINC000187772924 496566086 /nfs/dbraw/zinc/56/60/86/496566086.db2.gz QCSRALQZUJMPRS-SGTLLEGYSA-N 1 1 373.403 3.298 20 30 FGEDMO N#Cc1ccc(CNC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000578059862 505852243 /nfs/dbraw/zinc/85/22/43/505852243.db2.gz UAFVWUJROJGOQS-VXKWHMMOSA-N 1 1 374.488 3.222 20 30 FGEDMO C=C(C)[C@@H]([NH2+][C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(F)c(F)c1 ZINC000187793746 496575249 /nfs/dbraw/zinc/57/52/49/496575249.db2.gz JHORZDJQTKJAOP-FUHWJXTLSA-N 1 1 360.408 3.019 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000164385644 496609177 /nfs/dbraw/zinc/60/91/77/496609177.db2.gz XVYWDJXQUOUZPX-UHFFFAOYSA-N 1 1 367.449 3.426 20 30 FGEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000181970145 496618425 /nfs/dbraw/zinc/61/84/25/496618425.db2.gz AZNUXBNMFOVNAU-STQMWFEESA-N 1 1 371.437 3.463 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000188022950 496655678 /nfs/dbraw/zinc/65/56/78/496655678.db2.gz QZEZFIROAHTOCK-QGZVFWFLSA-N 1 1 371.525 3.277 20 30 FGEDMO C#CCOc1ccc(F)cc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000158230818 496656059 /nfs/dbraw/zinc/65/60/59/496656059.db2.gz KSAKFKCCHWKWOT-UHFFFAOYSA-N 1 1 370.428 3.058 20 30 FGEDMO COc1cc(C#N)cc(Cl)c1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000179054607 496659635 /nfs/dbraw/zinc/65/96/35/496659635.db2.gz LNNPZUQBOPAVHO-QGZVFWFLSA-N 1 1 372.852 3.018 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(C#N)s2)C[N@H+]1Cc1ccccc1 ZINC000580886316 505860945 /nfs/dbraw/zinc/86/09/45/505860945.db2.gz IVYQYTMYKAEROT-GOEBONIOSA-N 1 1 354.479 3.082 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000191427754 496758230 /nfs/dbraw/zinc/75/82/30/496758230.db2.gz QQDYMPNKXDMXOF-KRWDZBQOSA-N 1 1 358.530 3.296 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000191427754 496758235 /nfs/dbraw/zinc/75/82/35/496758235.db2.gz QQDYMPNKXDMXOF-KRWDZBQOSA-N 1 1 358.530 3.296 20 30 FGEDMO N#CCC[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000247046172 496761790 /nfs/dbraw/zinc/76/17/90/496761790.db2.gz ZCIDJYNDJNPOBM-RTWAWAEBSA-N 1 1 363.461 3.049 20 30 FGEDMO N#CCC[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000247046172 496761792 /nfs/dbraw/zinc/76/17/92/496761792.db2.gz ZCIDJYNDJNPOBM-RTWAWAEBSA-N 1 1 363.461 3.049 20 30 FGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)sc(=O)n2C ZINC000194990847 496784004 /nfs/dbraw/zinc/78/40/04/496784004.db2.gz JGDMEZNIBMWAGZ-UHFFFAOYSA-N 1 1 367.474 3.120 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273395651 496794082 /nfs/dbraw/zinc/79/40/82/496794082.db2.gz FXHFJUIEPJLJQL-GGPKGHCWSA-N 1 1 361.461 3.032 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)COc2ccccc2C#N)[C@H]1c1cccs1 ZINC000247193525 496803008 /nfs/dbraw/zinc/80/30/08/496803008.db2.gz BOHBXEFSSIFLSP-UZLBHIALSA-N 1 1 369.490 3.198 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCCO)Cc1ccccc1 ZINC000268971102 496838972 /nfs/dbraw/zinc/83/89/72/496838972.db2.gz LVZCMVRCXOKLNA-UHFFFAOYSA-N 1 1 357.841 3.035 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCCO)Cc1ccccc1 ZINC000268971102 496838977 /nfs/dbraw/zinc/83/89/77/496838977.db2.gz LVZCMVRCXOKLNA-UHFFFAOYSA-N 1 1 357.841 3.035 20 30 FGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(OCCc3ccccc3)CC2)cc1 ZINC000195213212 496852243 /nfs/dbraw/zinc/85/22/43/496852243.db2.gz BAFABAKEDGNRDM-UHFFFAOYSA-N 1 1 363.461 3.220 20 30 FGEDMO C[NH+](C)CCC1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191777609 496886067 /nfs/dbraw/zinc/88/60/67/496886067.db2.gz CZYIKFLPVXKZGS-UHFFFAOYSA-N 1 1 350.304 3.484 20 30 FGEDMO CCc1ncsc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000269530262 496965490 /nfs/dbraw/zinc/96/54/90/496965490.db2.gz JUXCXNZJANKMQX-UHFFFAOYSA-N 1 1 369.494 3.317 20 30 FGEDMO CCc1ncsc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000269530262 496965495 /nfs/dbraw/zinc/96/54/95/496965495.db2.gz JUXCXNZJANKMQX-UHFFFAOYSA-N 1 1 369.494 3.317 20 30 FGEDMO CN1C(=O)C[C@H]([NH2+]Cc2ccc(F)cc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000192153830 497015406 /nfs/dbraw/zinc/01/54/06/497015406.db2.gz CXJCHIFOTQEVTB-HKUYNNGSSA-N 1 1 357.816 3.412 20 30 FGEDMO C#CC[NH+]1CCC(c2nc(Cc3coc(-c4cccs4)n3)no2)CC1 ZINC000278134662 497015929 /nfs/dbraw/zinc/01/59/29/497015929.db2.gz QEYHMFKFXPNPQA-UHFFFAOYSA-N 1 1 354.435 3.190 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(OCC#N)c1 ZINC000274126102 497021385 /nfs/dbraw/zinc/02/13/85/497021385.db2.gz GSQLQORYJCFXHH-UZLBHIALSA-N 1 1 364.449 3.231 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(OCC#N)c1 ZINC000274126098 497022170 /nfs/dbraw/zinc/02/21/70/497022170.db2.gz GSQLQORYJCFXHH-OXQOHEQNSA-N 1 1 364.449 3.231 20 30 FGEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264989965 497027217 /nfs/dbraw/zinc/02/72/17/497027217.db2.gz SSLGRYMRYVQSGG-UHFFFAOYSA-N 1 1 363.461 3.326 20 30 FGEDMO N#C[C@H]1CCC[C@@H]([NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000274223411 497044786 /nfs/dbraw/zinc/04/47/86/497044786.db2.gz QGHPOSCJFJFRSI-GOEBONIOSA-N 1 1 354.479 3.245 20 30 FGEDMO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3F)C2=O)cc1 ZINC000192244610 497047604 /nfs/dbraw/zinc/04/76/04/497047604.db2.gz IOCIUAYGGBJWLA-GOSISDBHSA-N 1 1 357.816 3.241 20 30 FGEDMO C=C(C)[C@H](CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)OCC ZINC000270067517 497051111 /nfs/dbraw/zinc/05/11/11/497051111.db2.gz WOGZTMNAKDOCOG-IBGZPJMESA-N 1 1 366.452 3.417 20 30 FGEDMO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000265130380 497053501 /nfs/dbraw/zinc/05/35/01/497053501.db2.gz JWYBWWUNJWQWPJ-CJNGLKHVSA-N 1 1 368.403 3.081 20 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497157116 /nfs/dbraw/zinc/15/71/16/497157116.db2.gz JVKBJFIDWNZQIV-JOCHJYFZSA-N 1 1 364.493 3.088 20 30 FGEDMO C[N@H+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2(CCCCC2)C1 ZINC000192614222 497164709 /nfs/dbraw/zinc/16/47/09/497164709.db2.gz HVQLYVTVNGCVSN-HXUWFJFHSA-N 1 1 366.509 3.004 20 30 FGEDMO CN1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2(CCCCC2)C1 ZINC000192614222 497164713 /nfs/dbraw/zinc/16/47/13/497164713.db2.gz HVQLYVTVNGCVSN-HXUWFJFHSA-N 1 1 366.509 3.004 20 30 FGEDMO CN1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C2(CCCCC2)C1 ZINC000192614222 497164715 /nfs/dbraw/zinc/16/47/15/497164715.db2.gz HVQLYVTVNGCVSN-HXUWFJFHSA-N 1 1 366.509 3.004 20 30 FGEDMO COc1ccc(CN2CCC[N@@H+](CCCCC(C)(C)C#N)CC2=O)cc1 ZINC000278748984 497208375 /nfs/dbraw/zinc/20/83/75/497208375.db2.gz MANUXYBJKXVXKZ-UHFFFAOYSA-N 1 1 357.498 3.450 20 30 FGEDMO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000271097172 497262930 /nfs/dbraw/zinc/26/29/30/497262930.db2.gz ZUZZWNBSYOSHOZ-VWRAKTAISA-N 1 1 367.537 3.481 20 30 FGEDMO C=CCC[C@H](C(=O)NCCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000275341862 497296229 /nfs/dbraw/zinc/29/62/29/497296229.db2.gz RAXFCTWSUQORQZ-NRFANRHFSA-N 1 1 357.542 3.270 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C#N)c(OC)c2)C1 ZINC000578269648 505901310 /nfs/dbraw/zinc/90/13/10/505901310.db2.gz VHTUYVDXTARXEI-MRXNPFEDSA-N 1 1 372.513 3.267 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCO[C@@H](C)C3)sc2C1 ZINC000245400200 497385101 /nfs/dbraw/zinc/38/51/01/497385101.db2.gz BQCUNZJJKUMLNV-KBPBESRZSA-N 1 1 361.511 3.184 20 30 FGEDMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)CCO1 ZINC000193494702 497395799 /nfs/dbraw/zinc/39/57/99/497395799.db2.gz VXMSSKDICMEDFL-MRXNPFEDSA-N 1 1 370.497 3.205 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000271632343 497404373 /nfs/dbraw/zinc/40/43/73/497404373.db2.gz YSBSGAMRWBFXCK-IBGZPJMESA-N 1 1 371.506 3.046 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000279454081 497443414 /nfs/dbraw/zinc/44/34/14/497443414.db2.gz CQRUWMMJGMMULK-UHFFFAOYSA-N 1 1 363.461 3.175 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000279454081 497443421 /nfs/dbraw/zinc/44/34/21/497443421.db2.gz CQRUWMMJGMMULK-UHFFFAOYSA-N 1 1 363.461 3.175 20 30 FGEDMO CCS(=O)(=O)CCCCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000190517523 497512869 /nfs/dbraw/zinc/51/28/69/497512869.db2.gz VRYUSHVNKUAXCF-UHFFFAOYSA-N 1 1 364.511 3.006 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245732167 497520873 /nfs/dbraw/zinc/52/08/73/497520873.db2.gz WDMSPOXRNJLUGX-WSTZPKSXSA-N 1 1 365.481 3.101 20 30 FGEDMO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC2(CCOCC2)O1 ZINC000279844684 497560831 /nfs/dbraw/zinc/56/08/31/497560831.db2.gz RTEWELIMLIRODS-HNNXBMFYSA-N 1 1 369.383 3.207 20 30 FGEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC2(CCOCC2)O1 ZINC000279844684 497560836 /nfs/dbraw/zinc/56/08/36/497560836.db2.gz RTEWELIMLIRODS-HNNXBMFYSA-N 1 1 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N#Cc1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)c(Br)c1 ZINC000360734255 498303035 /nfs/dbraw/zinc/30/30/35/498303035.db2.gz ASJVUANTXYOADW-GOSISDBHSA-N 1 1 357.251 3.244 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(F)c(OC)cc2OC)C[C@@H]1C ZINC000331335174 498303773 /nfs/dbraw/zinc/30/37/73/498303773.db2.gz JTOMOKJAGSWLSX-QWHCGFSZSA-N 1 1 353.438 3.193 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365127103 498311463 /nfs/dbraw/zinc/31/14/63/498311463.db2.gz TWSMESLVYPSPNV-MSOLQXFVSA-N 1 1 369.509 3.220 20 30 FGEDMO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccon1 ZINC000569789079 506016670 /nfs/dbraw/zinc/01/66/70/506016670.db2.gz XVEUTEKMYCCKDE-NWDGAFQWSA-N 1 1 358.467 3.412 20 30 FGEDMO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccon1 ZINC000569789085 506017073 /nfs/dbraw/zinc/01/70/73/506017073.db2.gz XVEUTEKMYCCKDE-VXGBXAGGSA-N 1 1 358.467 3.412 20 30 FGEDMO C#CCC[NH+]1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000301996039 498361324 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RCZGJVPMUXPYFF-GOSISDBHSA-N 1 1 371.872 3.039 20 30 FGEDMO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000569822850 506024859 /nfs/dbraw/zinc/02/48/59/506024859.db2.gz VQKWCBFUDPQZED-BEFAXECRSA-N 1 1 353.466 3.477 20 30 FGEDMO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000361463175 498396403 /nfs/dbraw/zinc/39/64/03/498396403.db2.gz OTSRHHSYMVOSJM-LJQANCHMSA-N 1 1 353.470 3.412 20 30 FGEDMO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000361463175 498396406 /nfs/dbraw/zinc/39/64/06/498396406.db2.gz OTSRHHSYMVOSJM-LJQANCHMSA-N 1 1 353.470 3.412 20 30 FGEDMO CCC[N@@H+](C)[C@@H](CNC(=O)C1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000286541132 498429631 /nfs/dbraw/zinc/42/96/31/498429631.db2.gz YTDLNBJCRFFUHF-KRWDZBQOSA-N 1 1 363.889 3.159 20 30 FGEDMO C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C)OCC ZINC000361799201 498432860 /nfs/dbraw/zinc/43/28/60/498432860.db2.gz MOYHXSXRNNIVLE-OLMNPRSZSA-N 1 1 365.543 3.149 20 30 FGEDMO O=C(NC[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C(F)(F)F ZINC000290121528 498434363 /nfs/dbraw/zinc/43/43/63/498434363.db2.gz KUGPOPOTZSTBNG-CQSZACIVSA-N 1 1 358.791 3.082 20 30 FGEDMO CC(C)NC(=O)NCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000575919074 506033239 /nfs/dbraw/zinc/03/32/39/506033239.db2.gz UWTDQJALOQWRJT-UHFFFAOYSA-N 1 1 368.456 3.407 20 30 FGEDMO CC(C)NC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000575919074 506033242 /nfs/dbraw/zinc/03/32/42/506033242.db2.gz UWTDQJALOQWRJT-UHFFFAOYSA-N 1 1 368.456 3.407 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@H](Nc3nnc(C)c(C)c3C#N)[C@@H](C)C2)s1 ZINC000361832275 498438025 /nfs/dbraw/zinc/43/80/25/498438025.db2.gz WVQLQAXVZVKOBU-GTNSWQLSSA-N 1 1 356.499 3.053 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000302200802 498440457 /nfs/dbraw/zinc/44/04/57/498440457.db2.gz HHBJXRTVCBCVBO-SFHVURJKSA-N 1 1 350.422 3.425 20 30 FGEDMO CCc1ccc(C[NH+]2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)s1 ZINC000302224564 498450324 /nfs/dbraw/zinc/45/03/24/498450324.db2.gz USYCBYPHLBUBCW-UHFFFAOYSA-N 1 1 356.451 3.413 20 30 FGEDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 ZINC000581646979 506036093 /nfs/dbraw/zinc/03/60/93/506036093.db2.gz IREUZZATILUDCE-AZUAARDMSA-N 1 1 372.428 3.041 20 30 FGEDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)c(Cl)c1 ZINC000302466536 498489656 /nfs/dbraw/zinc/48/96/56/498489656.db2.gz SQBSFXRZXXSVCW-HXUWFJFHSA-N 1 1 355.869 3.285 20 30 FGEDMO CS(=O)(=O)[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000282403733 498498006 /nfs/dbraw/zinc/49/80/06/498498006.db2.gz YAEHCXWLDMXECE-HXUWFJFHSA-N 1 1 368.502 3.005 20 30 FGEDMO CS(=O)(=O)[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000282403733 498498012 /nfs/dbraw/zinc/49/80/12/498498012.db2.gz YAEHCXWLDMXECE-HXUWFJFHSA-N 1 1 368.502 3.005 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@@H](C)[N@@H+](C)C[C@H]3C)sc2C1 ZINC000331920132 498501048 /nfs/dbraw/zinc/50/10/48/498501048.db2.gz IMEBKEAUMOOLJD-RBSFLKMASA-N 1 1 374.554 3.098 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](C)N(C)C[C@H]3C)sc2C1 ZINC000331920132 498501055 /nfs/dbraw/zinc/50/10/55/498501055.db2.gz IMEBKEAUMOOLJD-RBSFLKMASA-N 1 1 374.554 3.098 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H](C)N(C)C[C@H]3C)sc2C1 ZINC000331920132 498501061 /nfs/dbraw/zinc/50/10/61/498501061.db2.gz IMEBKEAUMOOLJD-RBSFLKMASA-N 1 1 374.554 3.098 20 30 FGEDMO C=C[C@@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccccc1 ZINC000293954363 498543530 /nfs/dbraw/zinc/54/35/30/498543530.db2.gz DRDGUXZXQKTIHI-YBVXAUJNSA-N 1 1 356.510 3.447 20 30 FGEDMO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)C1 ZINC000363018279 498606258 /nfs/dbraw/zinc/60/62/58/498606258.db2.gz PYXMROIRMYWPSL-KRWDZBQOSA-N 1 1 364.493 3.281 20 30 FGEDMO N#Cc1cccc(OCc2ccoc2C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000363017829 498606586 /nfs/dbraw/zinc/60/65/86/498606586.db2.gz KOROBZWFDCIVRC-ROUUACIJSA-N 1 1 365.433 3.087 20 30 FGEDMO Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282723959 498627985 /nfs/dbraw/zinc/62/79/85/498627985.db2.gz KWWJUGRUNDFPIX-IBGZPJMESA-N 1 1 351.450 3.490 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 ZINC000294374758 498674955 /nfs/dbraw/zinc/67/49/55/498674955.db2.gz WGPBWFPGHJKQGH-UHFFFAOYSA-N 1 1 364.449 3.011 20 30 FGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000298204567 498694416 /nfs/dbraw/zinc/69/44/16/498694416.db2.gz IHDRUXCRDUTHAY-GOSISDBHSA-N 1 1 365.481 3.135 20 30 FGEDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000363227063 498713310 /nfs/dbraw/zinc/71/33/10/498713310.db2.gz CRYWBBSBHQHCIH-SJLPKXTDSA-N 1 1 366.465 3.337 20 30 FGEDMO CCC[NH+]1CCN(C2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000363263099 498734649 /nfs/dbraw/zinc/73/46/49/498734649.db2.gz QBSVJJQXHOJGAG-UHFFFAOYSA-N 1 1 363.509 3.103 20 30 FGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)[C@@H]2C1 ZINC000283054816 498761234 /nfs/dbraw/zinc/76/12/34/498761234.db2.gz RITIGYDLAGNGJL-SMDDNHRTSA-N 1 1 368.359 3.015 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2scc(C)c2C#N)[C@H](C)C1 ZINC000570104756 506091967 /nfs/dbraw/zinc/09/19/67/506091967.db2.gz OSKJSHRJLLIOCN-CJNGLKHVSA-N 1 1 364.515 3.187 20 30 FGEDMO CC[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[C@H](C)C1 ZINC000298596934 498824772 /nfs/dbraw/zinc/82/47/72/498824772.db2.gz SDLPGHJJSRWOGJ-HUUCEWRRSA-N 1 1 374.554 3.099 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1[N+](=O)[O-] ZINC000291175117 498830255 /nfs/dbraw/zinc/83/02/55/498830255.db2.gz RIBNGPSUTMSBIC-HNNXBMFYSA-N 1 1 351.410 3.383 20 30 FGEDMO C[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CCCCCC1 ZINC000298703137 498854222 /nfs/dbraw/zinc/85/42/22/498854222.db2.gz IDQQFSMVCPIDTM-INIZCTEOSA-N 1 1 352.438 3.166 20 30 FGEDMO C[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1)C1CCCCCC1 ZINC000298703137 498854228 /nfs/dbraw/zinc/85/42/28/498854228.db2.gz IDQQFSMVCPIDTM-INIZCTEOSA-N 1 1 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ZINC000295203763 498943060 /nfs/dbraw/zinc/94/30/60/498943060.db2.gz CLIDZUSZNHUQCI-MRXNPFEDSA-N 1 1 353.466 3.221 20 30 FGEDMO C[C@@H]1[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000288099872 498944656 /nfs/dbraw/zinc/94/46/56/498944656.db2.gz GYLVLDRYXRORHB-YHYVQYDKSA-N 1 1 372.472 3.020 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000582040243 506118846 /nfs/dbraw/zinc/11/88/46/506118846.db2.gz OWKNQHCUYZUFHL-CRAIPNDOSA-N 1 1 373.522 3.256 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000582040243 506118851 /nfs/dbraw/zinc/11/88/51/506118851.db2.gz OWKNQHCUYZUFHL-CRAIPNDOSA-N 1 1 373.522 3.256 20 30 FGEDMO CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328846556 498959890 /nfs/dbraw/zinc/95/98/90/498959890.db2.gz VNZHCSYDNKRYOT-ATZDWAIDSA-N 1 1 360.498 3.434 20 30 FGEDMO C=CCn1c(Cc2ccccc2Cl)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000570247291 506123600 /nfs/dbraw/zinc/12/36/00/506123600.db2.gz FPLHBQNPIOEVPA-DOTOQJQBSA-N 1 1 371.916 3.381 20 30 FGEDMO O=C(C[N@H+]1CCCc2ccccc2C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000328942713 498992801 /nfs/dbraw/zinc/99/28/01/498992801.db2.gz AEAKTKBVURRYOK-UHFFFAOYSA-N 1 1 367.405 3.366 20 30 FGEDMO N#Cc1sc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)nc1Cl ZINC000283844734 498998396 /nfs/dbraw/zinc/99/83/96/498998396.db2.gz TVCSQOJRFIAQRD-AWEZNQCLSA-N 1 1 362.886 3.237 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000366651165 499018048 /nfs/dbraw/zinc/01/80/48/499018048.db2.gz HOIPEUVXPACACM-AQNXPRMDSA-N 1 1 351.406 3.400 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000366651165 499018051 /nfs/dbraw/zinc/01/80/51/499018051.db2.gz HOIPEUVXPACACM-AQNXPRMDSA-N 1 1 351.406 3.400 20 30 FGEDMO N#CCc1cccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000299341813 499029501 /nfs/dbraw/zinc/02/95/01/499029501.db2.gz MOHZLTGCLABBCA-UHFFFAOYSA-N 1 1 359.473 3.416 20 30 FGEDMO C[C@@H]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1 ZINC000329060443 499030134 /nfs/dbraw/zinc/03/01/34/499030134.db2.gz UQNIHRRHMJDHOY-VUHPKUFZSA-N 1 1 361.534 3.228 20 30 FGEDMO C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1=O ZINC000329140581 499053233 /nfs/dbraw/zinc/05/32/33/499053233.db2.gz FYWSPNBGKVEBBK-JKSUJKDBSA-N 1 1 371.481 3.164 20 30 FGEDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000329137392 499053299 /nfs/dbraw/zinc/05/32/99/499053299.db2.gz DGOWJBHZZRKKGC-HOCLYGCPSA-N 1 1 361.511 3.326 20 30 FGEDMO CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329184964 499065174 /nfs/dbraw/zinc/06/51/74/499065174.db2.gz PZQZUVBVFVPDOL-RXVVDRJESA-N 1 1 369.509 3.496 20 30 FGEDMO N#Cc1ccc(CN2CCC([NH2+][C@H]3COc4cccc(F)c43)CC2)cc1 ZINC000366775859 499068542 /nfs/dbraw/zinc/06/85/42/499068542.db2.gz IIWPFJICNKUHKN-IBGZPJMESA-N 1 1 351.425 3.385 20 30 FGEDMO CCCc1nc(C)c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)o1 ZINC000291803924 499073115 /nfs/dbraw/zinc/07/31/15/499073115.db2.gz XLNCUEVOUMKVAP-UHFFFAOYSA-N 1 1 364.453 3.398 20 30 FGEDMO Cc1cc(C2CC[NH+]([C@@H](C)C(=O)NC(=O)NC3CCCCC3)CC2)n[nH]1 ZINC000329272180 499088054 /nfs/dbraw/zinc/08/80/54/499088054.db2.gz ACBXABKOPXNXDV-AWEZNQCLSA-N 1 1 361.490 3.489 20 30 FGEDMO C[C@H](NC(=O)NCC1(O)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329274426 499089366 /nfs/dbraw/zinc/08/93/66/499089366.db2.gz JLEHWKGVBGLWBB-HKUYNNGSSA-N 1 1 359.514 3.096 20 30 FGEDMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000329286510 499091673 /nfs/dbraw/zinc/09/16/73/499091673.db2.gz GWTYQNDEDWEKSL-UHFFFAOYSA-N 1 1 353.470 3.194 20 30 FGEDMO N#CC1(CCC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CCOCC1 ZINC000366886023 499106135 /nfs/dbraw/zinc/10/61/35/499106135.db2.gz BFJVVKZORKGOKW-GOSISDBHSA-N 1 1 371.529 3.284 20 30 FGEDMO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCn2cccn2)C1)C1CCCC1 ZINC000329388019 499113580 /nfs/dbraw/zinc/11/35/80/499113580.db2.gz REGOYECTOBAELL-MRXNPFEDSA-N 1 1 356.474 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CC(C)Oc1ccc(NC(=O)NCc2c[nH+]c3n2CCCC3)cc1C#N ZINC000367014769 499134055 /nfs/dbraw/zinc/13/40/55/499134055.db2.gz GYMRUQHYXALXIV-UHFFFAOYSA-N 1 1 353.426 3.200 20 30 FGEDMO COc1cc([C@@H]2CCC[N@H+]2CCCSCC#N)cc(OC)c1OC ZINC000369838654 499136300 /nfs/dbraw/zinc/13/63/00/499136300.db2.gz YKGRJYRSZXLMRC-HNNXBMFYSA-N 1 1 350.484 3.496 20 30 FGEDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)n1 ZINC000369901871 499148297 /nfs/dbraw/zinc/14/82/97/499148297.db2.gz ZRWWPNVAOKJXHQ-INIZCTEOSA-N 1 1 369.494 3.228 20 30 FGEDMO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000369968274 499159167 /nfs/dbraw/zinc/15/91/67/499159167.db2.gz YETWLFOVJQJFJS-WBVHZDCISA-N 1 1 350.384 3.048 20 30 FGEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000372688711 499161162 /nfs/dbraw/zinc/16/11/62/499161162.db2.gz HTDNCNLNOSJLOO-QGZVFWFLSA-N 1 1 365.437 3.072 20 30 FGEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000372688711 499161164 /nfs/dbraw/zinc/16/11/64/499161164.db2.gz HTDNCNLNOSJLOO-QGZVFWFLSA-N 1 1 365.437 3.072 20 30 FGEDMO COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000372814580 499179442 /nfs/dbraw/zinc/17/94/42/499179442.db2.gz ZVQWXCTWRHQOPE-UHFFFAOYSA-N 1 1 367.424 3.100 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)c1ccccc1 ZINC000367380229 499192086 /nfs/dbraw/zinc/19/20/86/499192086.db2.gz QQCOIKFVEGQJBI-OALUTQOASA-N 1 1 355.482 3.072 20 30 FGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)c1 ZINC000370224434 499199170 /nfs/dbraw/zinc/19/91/70/499199170.db2.gz ZYHGNSGRODYZRE-LJQANCHMSA-N 1 1 370.497 3.429 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+]3C[C@H](c4ccccc4)[C@@H]4COCC[C@@H]43)n2c1 ZINC000367675730 499223858 /nfs/dbraw/zinc/22/38/58/499223858.db2.gz ZSQJIYXMVRZQAD-HKBOAZHASA-N 1 1 358.445 3.210 20 30 FGEDMO Cn1cc[nH+]c1[C@H]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C1 ZINC000367842455 499237324 /nfs/dbraw/zinc/23/73/24/499237324.db2.gz NEGLLMADAMKKFO-JTQLQIEISA-N 1 1 357.339 3.251 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)C2(C#N)CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000370640931 499238958 /nfs/dbraw/zinc/23/89/58/499238958.db2.gz WHWKPAGLFZDBGV-PKOBYXMFSA-N 1 1 371.529 3.126 20 30 FGEDMO CC(C)[N@H+]1CCc2nc(CN(CCC#N)Cc3cccnc3)sc2C1 ZINC000368248055 499277842 /nfs/dbraw/zinc/27/78/42/499277842.db2.gz ZLFHODFDKBULNO-UHFFFAOYSA-N 1 1 355.511 3.220 20 30 FGEDMO Cc1cc(C#N)ccc1C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000368258323 499279124 /nfs/dbraw/zinc/27/91/24/499279124.db2.gz QAFVEBUCLGJXMF-UHFFFAOYSA-N 1 1 363.461 3.248 20 30 FGEDMO Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000368553280 499307055 /nfs/dbraw/zinc/30/70/55/499307055.db2.gz PSAICGNNVDYENA-UHFFFAOYSA-N 1 1 372.476 3.337 20 30 FGEDMO CC1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1[C@@H]1CCCO1 ZINC000368585973 499310259 /nfs/dbraw/zinc/31/02/59/499310259.db2.gz VJKUAKQGXDQBFH-YJBOKZPZSA-N 1 1 373.522 3.326 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368613948 499313957 /nfs/dbraw/zinc/31/39/57/499313957.db2.gz OJXMOISDOBYRAP-ICSRJNTNSA-N 1 1 362.477 3.281 20 30 FGEDMO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000371385098 499318800 /nfs/dbraw/zinc/31/88/00/499318800.db2.gz WARVBVLTXJHQEF-KXBFYZLASA-N 1 1 353.470 3.241 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000371403431 499321531 /nfs/dbraw/zinc/32/15/31/499321531.db2.gz RCHFVRPQHUXGJI-FQEVSTJZSA-N 1 1 354.498 3.013 20 30 FGEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000371498367 499334960 /nfs/dbraw/zinc/33/49/60/499334960.db2.gz ZNOCNZNIBVQQAJ-OAQYLSRUSA-N 1 1 366.465 3.014 20 30 FGEDMO CC(C)n1cc(C[N@@H+]2CCCN(c3ncc(C#N)cc3Cl)CC2)cn1 ZINC000371613886 499347410 /nfs/dbraw/zinc/34/74/10/499347410.db2.gz VUSSYPWFHAWXKX-UHFFFAOYSA-N 1 1 358.877 3.096 20 30 FGEDMO CC(C)n1cc(C[N@H+]2CCCN(c3ncc(C#N)cc3Cl)CC2)cn1 ZINC000371613886 499347412 /nfs/dbraw/zinc/34/74/12/499347412.db2.gz VUSSYPWFHAWXKX-UHFFFAOYSA-N 1 1 358.877 3.096 20 30 FGEDMO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)c1 ZINC000371740677 499360607 /nfs/dbraw/zinc/36/06/07/499360607.db2.gz GDLANMAXQFGPIY-AUUYWEPGSA-N 1 1 368.506 3.465 20 30 FGEDMO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000371833888 499369924 /nfs/dbraw/zinc/36/99/24/499369924.db2.gz FGIZRGUHKMLCBH-ZIAGYGMSSA-N 1 1 356.495 3.493 20 30 FGEDMO C=CCCO[C@H](C)C(=O)N(CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000369318146 499391006 /nfs/dbraw/zinc/39/10/06/499391006.db2.gz YNXPPIBCQSMREV-QGZVFWFLSA-N 1 1 374.529 3.282 20 30 FGEDMO CC[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000372030530 499391245 /nfs/dbraw/zinc/39/12/45/499391245.db2.gz GBGOINHMUFIHLD-VQIMIIECSA-N 1 1 370.497 3.062 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)[C@@H]1c1cccs1 ZINC000369565594 499418974 /nfs/dbraw/zinc/41/89/74/499418974.db2.gz ZIOFRFGNKNGQPB-OXJNMPFZSA-N 1 1 369.490 3.002 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCC#N)[C@H]1c1cccs1 ZINC000369568766 499419895 /nfs/dbraw/zinc/41/98/95/499419895.db2.gz MASJGNQUGAMXLG-KSSFIOAISA-N 1 1 355.463 3.073 20 30 FGEDMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000369610811 499426161 /nfs/dbraw/zinc/42/61/61/499426161.db2.gz ATUUHFUYZCBBSQ-RHSMWYFYSA-N 1 1 350.532 3.270 20 30 FGEDMO C=CCC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccccc1 ZINC000372422705 499432816 /nfs/dbraw/zinc/43/28/16/499432816.db2.gz RYDYHKFUXVNYTD-TZIWHRDSSA-N 1 1 355.526 3.021 20 30 FGEDMO C=CCC[C@@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372422705 499432818 /nfs/dbraw/zinc/43/28/18/499432818.db2.gz RYDYHKFUXVNYTD-TZIWHRDSSA-N 1 1 355.526 3.021 20 30 FGEDMO COc1ccc(C[NH2+][C@@H](c2nc(-c3ccncc3)no2)C(C)C)cc1C#N ZINC000369672489 499434745 /nfs/dbraw/zinc/43/47/45/499434745.db2.gz OSWBKKWTYQAXKZ-GOSISDBHSA-N 1 1 363.421 3.499 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2Cc2c[nH]c3ccccc23)cc1 ZINC000369705121 499437993 /nfs/dbraw/zinc/43/79/93/499437993.db2.gz UZKIIFZTLDUBOO-KNQAVFIVSA-N 1 1 361.445 3.016 20 30 FGEDMO N#CCCCn1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000373049624 499448974 /nfs/dbraw/zinc/44/89/74/499448974.db2.gz PIFADNDZINJKLM-SJORKVTESA-N 1 1 350.466 3.302 20 30 FGEDMO N#Cc1ccc(CCC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000373429470 499469382 /nfs/dbraw/zinc/46/93/82/499469382.db2.gz HLJPTZRYCJXTSA-SZPZYZBQSA-N 1 1 359.473 3.081 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000373499906 499473401 /nfs/dbraw/zinc/47/34/01/499473401.db2.gz BHXXBTJQIXROBQ-BVOGOJNSSA-N 1 1 369.509 3.080 20 30 FGEDMO CCc1nc([C@H]2CCC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)no1 ZINC000378349050 499505061 /nfs/dbraw/zinc/50/50/61/499505061.db2.gz IKOGRMIPGBNFNC-KRWDZBQOSA-N 1 1 353.470 3.361 20 30 FGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(c3ncccc3F)CC2)cc1 ZINC000375527712 499529011 /nfs/dbraw/zinc/52/90/11/499529011.db2.gz ZSKSWJKCKKCVPR-INIZCTEOSA-N 1 1 354.429 3.224 20 30 FGEDMO N#CCC1(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)CC1 ZINC000375537764 499529738 /nfs/dbraw/zinc/52/97/38/499529738.db2.gz SREMOKYPPXWTRN-HZPDHXFCSA-N 1 1 365.399 3.107 20 30 FGEDMO CC(C)[NH+]1CCN(CCCN2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000375594679 499536105 /nfs/dbraw/zinc/53/61/05/499536105.db2.gz BPZUMNFEABHFPK-YADHBBJMSA-N 1 1 354.542 3.174 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)cn1 ZINC000375693213 499545850 /nfs/dbraw/zinc/54/58/50/499545850.db2.gz RFGHPLRWLUPWHV-LJQANCHMSA-N 1 1 359.433 3.280 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@@H]1CCC[N@H+]1C ZINC000573233779 506149309 /nfs/dbraw/zinc/14/93/09/506149309.db2.gz OZNIHOYTJUEEGK-CABCVRRESA-N 1 1 374.554 3.242 20 30 FGEDMO CC(C)c1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785279 499555690 /nfs/dbraw/zinc/55/56/90/499555690.db2.gz BCKJMWRBHFCVBO-ZWKOTPCHSA-N 1 1 371.529 3.375 20 30 FGEDMO CC(C)c1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785279 499555691 /nfs/dbraw/zinc/55/56/91/499555691.db2.gz BCKJMWRBHFCVBO-ZWKOTPCHSA-N 1 1 371.529 3.375 20 30 FGEDMO Cc1c[nH+]cn1C1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000376013172 499576260 /nfs/dbraw/zinc/57/62/60/499576260.db2.gz MLYBPBCRWBQRAO-UHFFFAOYSA-N 1 1 354.429 3.344 20 30 FGEDMO C[N@H+]1CCC[C@H]2CN(c3nc4c(c(C#N)c3C#N)CCCCCC4)CC[C@@H]21 ZINC000408329728 499584310 /nfs/dbraw/zinc/58/43/10/499584310.db2.gz KGCGDXAPSCPROH-KKSFZXQISA-N 1 1 363.509 3.404 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H](N[C@H]3C[C@H]([NH3+])c4ccccc43)C2)c(F)c1 ZINC000579342538 506151693 /nfs/dbraw/zinc/15/16/93/506151693.db2.gz VRVBZXFYGWONFJ-YSSFQJQWSA-N 1 1 350.441 3.401 20 30 FGEDMO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000376725360 499632142 /nfs/dbraw/zinc/63/21/42/499632142.db2.gz AJAZKHOFIGHWMI-FUHWJXTLSA-N 1 1 366.465 3.314 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000410334348 499655602 /nfs/dbraw/zinc/65/56/02/499655602.db2.gz VJEUAFOIOBSCIO-NRFANRHFSA-N 1 1 350.462 3.484 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]12CC[N@@H+](CCCSCC#N)C2 ZINC000377209581 499670801 /nfs/dbraw/zinc/67/08/01/499670801.db2.gz PSSUWTONCGQLEY-QAPCUYQASA-N 1 1 353.532 3.403 20 30 FGEDMO C=C(Br)C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000377594509 499707815 /nfs/dbraw/zinc/70/78/15/499707815.db2.gz FCSILQATYUBGKJ-CQSZACIVSA-N 1 1 365.319 3.483 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000377592442 499708080 /nfs/dbraw/zinc/70/80/80/499708080.db2.gz OANWCQAXPDFXPF-NRFANRHFSA-N 1 1 354.425 3.133 20 30 FGEDMO C[C@H](CCC#N)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000411415134 499737162 /nfs/dbraw/zinc/73/71/62/499737162.db2.gz BLQLWGDHURJHPR-RHSMWYFYSA-N 1 1 361.287 3.324 20 30 FGEDMO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000377667792 499717341 /nfs/dbraw/zinc/71/73/41/499717341.db2.gz BCVKDELAGGJHOR-IFXJQAMLSA-N 1 1 355.438 3.373 20 30 FGEDMO C[C@@H](C(=O)OC(C)(C)C)[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000411902130 499802409 /nfs/dbraw/zinc/80/24/09/499802409.db2.gz GMAUYVBJPAKBIF-AWEZNQCLSA-N 1 1 357.454 3.081 20 30 FGEDMO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000411902130 499802410 /nfs/dbraw/zinc/80/24/10/499802410.db2.gz GMAUYVBJPAKBIF-AWEZNQCLSA-N 1 1 357.454 3.081 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412089843 499822410 /nfs/dbraw/zinc/82/24/10/499822410.db2.gz PXXOPIWCHTYTSN-OAGGEKHMSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412089843 499822412 /nfs/dbraw/zinc/82/24/12/499822412.db2.gz PXXOPIWCHTYTSN-OAGGEKHMSA-N 1 1 361.511 3.112 20 30 FGEDMO Cc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413116510 499916053 /nfs/dbraw/zinc/91/60/53/499916053.db2.gz PDQFAQINPPGUDL-IYBDPMFKSA-N 1 1 372.469 3.101 20 30 FGEDMO C[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000413336269 499942596 /nfs/dbraw/zinc/94/25/96/499942596.db2.gz QOEQBPYLQXKGKC-MRXNPFEDSA-N 1 1 366.440 3.113 20 30 FGEDMO C[C@@H]1CN(C(=O)NCc2cc(C#N)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000413336269 499942599 /nfs/dbraw/zinc/94/25/99/499942599.db2.gz QOEQBPYLQXKGKC-MRXNPFEDSA-N 1 1 366.440 3.113 20 30 FGEDMO C[N@@H+](CCCCNc1c(C#N)cnc2ccc(OC(F)F)cc21)C1CC1 ZINC000413346721 499943565 /nfs/dbraw/zinc/94/35/65/499943565.db2.gz IWDYEEWSWZGKFT-UHFFFAOYSA-N 1 1 360.408 3.416 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000417038396 499954969 /nfs/dbraw/zinc/95/49/69/499954969.db2.gz JLPQUPKIBOSLHT-SJORKVTESA-N 1 1 359.514 3.457 20 30 FGEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H](C)C1 ZINC000428996318 499977173 /nfs/dbraw/zinc/97/71/73/499977173.db2.gz QWWGPWXUOCEKMR-GLJUWKHASA-N 1 1 362.315 3.483 20 30 FGEDMO C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000425091070 500016491 /nfs/dbraw/zinc/01/64/91/500016491.db2.gz WKHSXJKYEHRROJ-XJKCOSOUSA-N 1 1 353.388 3.144 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429169234 500018287 /nfs/dbraw/zinc/01/82/87/500018287.db2.gz HDWUWKRAGGDFIS-MRXNPFEDSA-N 1 1 351.903 3.269 20 30 FGEDMO N#Cc1ccc(CNc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000421332098 500019209 /nfs/dbraw/zinc/01/92/09/500019209.db2.gz FJGAUCVHZDEPEB-GOSISDBHSA-N 1 1 366.440 3.007 20 30 FGEDMO C=CC[N@@H+](Cc1cncn1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000425338171 500078537 /nfs/dbraw/zinc/07/85/37/500078537.db2.gz PIHPFNKINPGNKZ-INIZCTEOSA-N 1 1 351.458 3.189 20 30 FGEDMO C=CC[N@H+](Cc1cncn1C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000425338171 500078541 /nfs/dbraw/zinc/07/85/41/500078541.db2.gz PIHPFNKINPGNKZ-INIZCTEOSA-N 1 1 351.458 3.189 20 30 FGEDMO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCCNC(=O)C1CCC1 ZINC000429540681 500097179 /nfs/dbraw/zinc/09/71/79/500097179.db2.gz YBLJTKVOSJHHTR-UHFFFAOYSA-N 1 1 368.399 3.175 20 30 FGEDMO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000425472809 500116735 /nfs/dbraw/zinc/11/67/35/500116735.db2.gz IJOCQTQFBGMUHM-WMZOPIPTSA-N 1 1 374.554 3.291 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)CC(=O)Nc1ccc(Br)cc1C ZINC000429718177 500130925 /nfs/dbraw/zinc/13/09/25/500130925.db2.gz IWQNPJOLWCCAPN-UHFFFAOYSA-N 1 1 368.319 3.136 20 30 FGEDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425530727 500134503 /nfs/dbraw/zinc/13/45/03/500134503.db2.gz GBJAESIIADXOQU-CYBMUJFWSA-N 1 1 368.393 3.107 20 30 FGEDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425530727 500134508 /nfs/dbraw/zinc/13/45/08/500134508.db2.gz GBJAESIIADXOQU-CYBMUJFWSA-N 1 1 368.393 3.107 20 30 FGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425535449 500136397 /nfs/dbraw/zinc/13/63/97/500136397.db2.gz SXCRCIMURADMTR-OTWHNJEPSA-N 1 1 354.498 3.279 20 30 FGEDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539267 500138751 /nfs/dbraw/zinc/13/87/51/500138751.db2.gz TXOVIBKGULJRKA-CQSZACIVSA-N 1 1 352.394 3.406 20 30 FGEDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539267 500138754 /nfs/dbraw/zinc/13/87/54/500138754.db2.gz TXOVIBKGULJRKA-CQSZACIVSA-N 1 1 352.394 3.406 20 30 FGEDMO CCN(C(=O)NCc1ccc(C#N)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573354998 506178274 /nfs/dbraw/zinc/17/82/74/506178274.db2.gz QVGASMWGCGXHRA-QGZVFWFLSA-N 1 1 368.506 3.426 20 30 FGEDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccncc1Cl ZINC000421844711 500163192 /nfs/dbraw/zinc/16/31/92/500163192.db2.gz UIUDORJEEKEGGA-SCLBCKFNSA-N 1 1 354.841 3.453 20 30 FGEDMO CCOCc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OC ZINC000430177068 500204730 /nfs/dbraw/zinc/20/47/30/500204730.db2.gz LKOTXLIJFSSIEW-IBGZPJMESA-N 1 1 367.449 3.152 20 30 FGEDMO COCCCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430183825 500205791 /nfs/dbraw/zinc/20/57/91/500205791.db2.gz ZOIRFHKUTAWVAW-HXUWFJFHSA-N 1 1 367.449 3.022 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426224820 500250061 /nfs/dbraw/zinc/25/00/61/500250061.db2.gz CKYCQGVWKUNCMB-USXIJHARSA-N 1 1 361.511 3.255 20 30 FGEDMO N#CCSc1cccc(C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c1 ZINC000430702434 500272597 /nfs/dbraw/zinc/27/25/97/500272597.db2.gz YTDIHLNDKHKKNQ-MRXNPFEDSA-N 1 1 366.490 3.465 20 30 FGEDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)NCC3(CC#N)CC3)CC2)cc1 ZINC000431059231 500329787 /nfs/dbraw/zinc/32/97/87/500329787.db2.gz WAFFQXPMJCMEFK-UHFFFAOYSA-N 1 1 354.498 3.331 20 30 FGEDMO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000423055279 500335969 /nfs/dbraw/zinc/33/59/69/500335969.db2.gz DASSQJRUSAQPJV-AOUGCYQESA-N 1 1 364.493 3.191 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3(C#N)CCC3)cc2)C1 ZINC000419417247 500363497 /nfs/dbraw/zinc/36/34/97/500363497.db2.gz XCLRMUYKGPMJMT-QGZVFWFLSA-N 1 1 354.498 3.412 20 30 FGEDMO 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ZINC000450303757 501229685 /nfs/dbraw/zinc/22/96/85/501229685.db2.gz OBZOMGCKVSXTPH-UHFFFAOYSA-N 1 1 358.445 3.443 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451021264 501239650 /nfs/dbraw/zinc/23/96/50/501239650.db2.gz CHQLJMUJVRHJSO-NRFANRHFSA-N 1 1 350.462 3.339 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC(C)(C)CO)sc2C1 ZINC000451250850 501255045 /nfs/dbraw/zinc/25/50/45/501255045.db2.gz TXMUFBGWBYBWRB-ZDUSSCGKSA-N 1 1 363.527 3.023 20 30 FGEDMO C=CCC1(c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)CCCC1 ZINC000453097998 501268433 /nfs/dbraw/zinc/26/84/33/501268433.db2.gz WZBITBQCDFZXNU-UHFFFAOYSA-N 1 1 353.470 3.271 20 30 FGEDMO C=CCC[C@@H](CO)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000457652430 501278133 /nfs/dbraw/zinc/27/81/33/501278133.db2.gz OBMLDVPGTGCERC-PXNSSMCTSA-N 1 1 359.514 3.045 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1C ZINC000451424014 501290213 /nfs/dbraw/zinc/29/02/13/501290213.db2.gz SKCJYEJJIRZWIZ-TYPHKJRUSA-N 1 1 369.509 3.176 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000455421172 501298032 /nfs/dbraw/zinc/29/80/32/501298032.db2.gz JBZFLOFPOYJKAE-KCLUMXDGSA-N 1 1 371.525 3.320 20 30 FGEDMO C=CCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000453426054 501329120 /nfs/dbraw/zinc/32/91/20/501329120.db2.gz PWWAWLRRMOLFKD-GOSISDBHSA-N 1 1 369.513 3.270 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 ZINC000451605953 501335343 /nfs/dbraw/zinc/33/53/43/501335343.db2.gz LROXRSWLWJJZEL-AEFFLSMTSA-N 1 1 371.506 3.374 20 30 FGEDMO C=C(C)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000453454946 501336635 /nfs/dbraw/zinc/33/66/35/501336635.db2.gz RGMLKSVITXTIKO-KRWDZBQOSA-N 1 1 369.513 3.449 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000453458471 501337908 /nfs/dbraw/zinc/33/79/08/501337908.db2.gz AEXQLWKDPSIIIR-KSZLIROESA-N 1 1 361.534 3.262 20 30 FGEDMO Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000602654380 506247811 /nfs/dbraw/zinc/24/78/11/506247811.db2.gz LYMRUPIYJJHKEN-IBGZPJMESA-N 1 1 354.429 3.425 20 30 FGEDMO CC[C@@H]1C[N@@H+](CC)CCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000451726367 501360704 /nfs/dbraw/zinc/36/07/04/501360704.db2.gz SNGGRCHIUUNEDN-QGZVFWFLSA-N 1 1 352.482 3.154 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000451810946 501377623 /nfs/dbraw/zinc/37/76/23/501377623.db2.gz OGMVPRSPHVYZPU-UYAOXDASSA-N 1 1 371.525 3.422 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2cnc(C#N)c(Cl)c2)C1 ZINC000455761498 501380632 /nfs/dbraw/zinc/38/06/32/501380632.db2.gz XEHZKYWEJJTUKR-OKILXGFUSA-N 1 1 363.893 3.486 20 30 FGEDMO N#CCc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000455943591 501422135 /nfs/dbraw/zinc/42/21/35/501422135.db2.gz JQJXHVLNVIXOQQ-UHFFFAOYSA-N 1 1 373.460 3.364 20 30 FGEDMO Cc1cc[nH+]c(N2CCN(C(=O)C(C)(C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000455981296 501431159 /nfs/dbraw/zinc/43/11/59/501431159.db2.gz IMTVZUAHIWQBTJ-UHFFFAOYSA-N 1 1 362.477 3.179 20 30 FGEDMO COC[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000452095606 501434018 /nfs/dbraw/zinc/43/40/18/501434018.db2.gz XMLMXMWLUIWBEG-MRXNPFEDSA-N 1 1 363.889 3.335 20 30 FGEDMO C=CC(C)(C)CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000458990304 501572551 /nfs/dbraw/zinc/57/25/51/501572551.db2.gz RJMCOFXRJZNAEW-CALCHBBNSA-N 1 1 351.535 3.120 20 30 FGEDMO Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000602698035 506263625 /nfs/dbraw/zinc/26/36/25/506263625.db2.gz WVMUHAUEYWIQIF-GOSISDBHSA-N 1 1 366.465 3.414 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459226976 501616356 /nfs/dbraw/zinc/61/63/56/501616356.db2.gz AXOGROCKJSTPNK-SFHVURJKSA-N 1 1 357.502 3.017 20 30 FGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)CC#N ZINC000459263007 501621219 /nfs/dbraw/zinc/62/12/19/501621219.db2.gz WLZBOQABAKYLGC-IBGZPJMESA-N 1 1 356.514 3.480 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000459306491 501628244 /nfs/dbraw/zinc/62/82/44/501628244.db2.gz IQPVLPAMKKXTMI-VMPITWQZSA-N 1 1 362.433 3.297 20 30 FGEDMO N#Cc1cccc(OCCCCC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000456981390 501629584 /nfs/dbraw/zinc/62/95/84/501629584.db2.gz FIFGBVOBKYGOJE-OAQYLSRUSA-N 1 1 363.461 3.280 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000459408845 501648333 /nfs/dbraw/zinc/64/83/33/501648333.db2.gz AWSJLRKNJKHWAE-WMZOPIPTSA-N 1 1 359.332 3.364 20 30 FGEDMO COc1nsc(C[NH2+]Cc2ccc(CC#N)cc2)c1Br ZINC000602701572 506265724 /nfs/dbraw/zinc/26/57/24/506265724.db2.gz UQPWZZJQWZNGTC-UHFFFAOYSA-N 1 1 352.257 3.270 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000454902906 501652235 /nfs/dbraw/zinc/65/22/35/501652235.db2.gz OMWSTSTWZXDAOF-UXHICEINSA-N 1 1 371.525 3.322 20 30 FGEDMO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@H]3CCC[C@H]3C#N)ccc2c1 ZINC000459471151 501659266 /nfs/dbraw/zinc/65/92/66/501659266.db2.gz VILMWOFSTWLOPN-ZRCAFCQKSA-N 1 1 365.477 3.477 20 30 FGEDMO C[N@@H+](CCCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C1CC1 ZINC000457196007 501663738 /nfs/dbraw/zinc/66/37/38/501663738.db2.gz HJFXEYVJZRKQAY-UHFFFAOYSA-N 1 1 364.449 3.350 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459639891 501691431 /nfs/dbraw/zinc/69/14/31/501691431.db2.gz KUMBZASTCLFPNO-OAHLLOKOSA-N 1 1 362.436 3.092 20 30 FGEDMO CCOC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000459709961 501702100 /nfs/dbraw/zinc/70/21/00/501702100.db2.gz UIRMGHZDTSDLEU-GOSISDBHSA-N 1 1 363.889 3.478 20 30 FGEDMO CCOC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000459709961 501702101 /nfs/dbraw/zinc/70/21/01/501702101.db2.gz UIRMGHZDTSDLEU-GOSISDBHSA-N 1 1 363.889 3.478 20 30 FGEDMO C=CCCCN(C)C(=O)C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460060898 501725732 /nfs/dbraw/zinc/72/57/32/501725732.db2.gz UENKCUVJQQFYPZ-QUCCMNQESA-N 1 1 371.525 3.095 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000467196841 501734954 /nfs/dbraw/zinc/73/49/54/501734954.db2.gz MARWJNSHNZIEFT-UYAOXDASSA-N 1 1 357.498 3.440 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000467196841 501734956 /nfs/dbraw/zinc/73/49/56/501734956.db2.gz MARWJNSHNZIEFT-UYAOXDASSA-N 1 1 357.498 3.440 20 30 FGEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000467230412 501746278 /nfs/dbraw/zinc/74/62/78/501746278.db2.gz NQTUEWAAIOQNRO-IFMALSPDSA-N 1 1 350.462 3.395 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000474230911 501753869 /nfs/dbraw/zinc/75/38/69/501753869.db2.gz UAKMWKQLIHSBAL-UHFFFAOYSA-N 1 1 363.461 3.304 20 30 FGEDMO C=CCC(CC=C)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000467363543 501777817 /nfs/dbraw/zinc/77/78/17/501777817.db2.gz CEKRTBXQBICUDB-UHFFFAOYSA-N 1 1 355.526 3.031 20 30 FGEDMO C=CC[N@H+](Cc1cn(C(C)C)nc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000467461092 501799917 /nfs/dbraw/zinc/79/99/17/501799917.db2.gz WUMWGBGLTYEUCS-KRWDZBQOSA-N 1 1 365.485 3.497 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cnc4ccccc43)cc2)C1=O ZINC000467518372 501814529 /nfs/dbraw/zinc/81/45/29/501814529.db2.gz CVEQNLVBWRVRQE-OAQYLSRUSA-N 1 1 360.461 3.244 20 30 FGEDMO C[NH+]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000481567929 501817746 /nfs/dbraw/zinc/81/77/46/501817746.db2.gz CRAWJCGKZJVPQB-UHFFFAOYSA-N 1 1 368.412 3.056 20 30 FGEDMO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(C#N)cc3F)C2=O)cc1 ZINC000477927546 501830711 /nfs/dbraw/zinc/83/07/11/501830711.db2.gz ONAVTCCRTMAATH-YWZLYKJASA-N 1 1 351.425 3.458 20 30 FGEDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)CC2(C#N)CCCCC2)c1 ZINC000460475073 501832639 /nfs/dbraw/zinc/83/26/39/501832639.db2.gz YRLGGVNRJYQIEC-UHFFFAOYSA-N 1 1 363.527 3.032 20 30 FGEDMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC000478004219 501850717 /nfs/dbraw/zinc/85/07/17/501850717.db2.gz QWOOREFAROLJBF-SJORKVTESA-N 1 1 361.873 3.430 20 30 FGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC000478004219 501850721 /nfs/dbraw/zinc/85/07/21/501850721.db2.gz QWOOREFAROLJBF-SJORKVTESA-N 1 1 361.873 3.430 20 30 FGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000470916586 501854025 /nfs/dbraw/zinc/85/40/25/501854025.db2.gz JYAWYRQEVKBFPR-SFHVURJKSA-N 1 1 355.434 3.233 20 30 FGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478022513 501856373 /nfs/dbraw/zinc/85/63/73/501856373.db2.gz AREFZVZYFHEHRP-XLIONFOSSA-N 1 1 368.502 3.285 20 30 FGEDMO C=C(C)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000460564167 501862225 /nfs/dbraw/zinc/86/22/25/501862225.db2.gz WHDLDHLNHJSPMM-PKOBYXMFSA-N 1 1 368.529 3.149 20 30 FGEDMO C=C(C)COCCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000474803351 501957271 /nfs/dbraw/zinc/95/72/71/501957271.db2.gz AOQSXDQHNWJZPK-QFIPXVFZSA-N 1 1 371.525 3.277 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C[C@@H]1C ZINC000460920290 501958730 /nfs/dbraw/zinc/95/87/30/501958730.db2.gz BFYIPIWOMYVWPB-DLBZAZTESA-N 1 1 366.513 3.392 20 30 FGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CCCCOc1cccc(C#N)c1 ZINC000468488121 502078597 /nfs/dbraw/zinc/07/85/97/502078597.db2.gz OBTUFZUZCBDJKJ-IBGZPJMESA-N 1 1 357.498 3.344 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000475182007 502092606 /nfs/dbraw/zinc/09/26/06/502092606.db2.gz ZTEMUCCPXGQGHT-QFBILLFUSA-N 1 1 369.509 3.030 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000464814499 502102928 /nfs/dbraw/zinc/10/29/28/502102928.db2.gz PYGDLMMLAGSUIU-LEWJYISDSA-N 1 1 373.456 3.444 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCN1C(=O)c2ccccc2C1=O ZINC000464814499 502102933 /nfs/dbraw/zinc/10/29/33/502102933.db2.gz PYGDLMMLAGSUIU-LEWJYISDSA-N 1 1 373.456 3.444 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000486436916 502153453 /nfs/dbraw/zinc/15/34/53/502153453.db2.gz VBZYHXKJYPNHHX-HNNXBMFYSA-N 1 1 360.408 3.153 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCC[N@H+](C)C(C)C ZINC000475394804 502159082 /nfs/dbraw/zinc/15/90/82/502159082.db2.gz FDFUKRNLNVXUAM-UHFFFAOYSA-N 1 1 359.514 3.324 20 30 FGEDMO CN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475422729 502166587 /nfs/dbraw/zinc/16/65/87/502166587.db2.gz KPSLNXKGNLRKRM-LJQANCHMSA-N 1 1 365.502 3.383 20 30 FGEDMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000475588444 502220545 /nfs/dbraw/zinc/22/05/45/502220545.db2.gz HHWMNVABUIFWSC-KRWDZBQOSA-N 1 1 355.548 3.034 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Br)cn1 ZINC000482977362 502234368 /nfs/dbraw/zinc/23/43/68/502234368.db2.gz YDYKBQXCHAATQZ-NEPJUHHUSA-N 1 1 373.254 3.394 20 30 FGEDMO C=CCCCCC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000486789490 502261812 /nfs/dbraw/zinc/26/18/12/502261812.db2.gz SRSMNFWMTSBPRT-SFHVURJKSA-N 1 1 351.512 3.431 20 30 FGEDMO C=CCCCCC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000486789490 502261818 /nfs/dbraw/zinc/26/18/18/502261818.db2.gz SRSMNFWMTSBPRT-SFHVURJKSA-N 1 1 351.512 3.431 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000483108037 502274575 /nfs/dbraw/zinc/27/45/75/502274575.db2.gz SEVXTFATWQVJHP-QGZVFWFLSA-N 1 1 374.529 3.462 20 30 FGEDMO COc1cccc([C@H](CNC(=O)c2ccc(C#N)s2)[NH+]2CCCC2)c1 ZINC000486842096 502280766 /nfs/dbraw/zinc/28/07/66/502280766.db2.gz PZIDWNFVMDSRLR-KRWDZBQOSA-N 1 1 355.463 3.195 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CC2CCC2)[C@H](C)CO)c1 ZINC000483130957 502284093 /nfs/dbraw/zinc/28/40/93/502284093.db2.gz AJXUBAFZMWOCDL-GOSISDBHSA-N 1 1 357.498 3.033 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000479545575 502292427 /nfs/dbraw/zinc/29/24/27/502292427.db2.gz PBFIZWHWDJQITC-IYBDPMFKSA-N 1 1 350.466 3.294 20 30 FGEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000465536219 502295495 /nfs/dbraw/zinc/29/54/95/502295495.db2.gz AJLKGGCEJZVIDS-IBGZPJMESA-N 1 1 369.513 3.369 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC#Cc1ccccc1 ZINC000465569106 502311011 /nfs/dbraw/zinc/31/10/11/502311011.db2.gz RJODDXINESECHI-JOCHJYFZSA-N 1 1 361.489 3.202 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)C[C@H](C)C#N)c1C#N ZINC000472423910 502347538 /nfs/dbraw/zinc/34/75/38/502347538.db2.gz GTWDRLUQAJYZTC-CQSZACIVSA-N 1 1 367.453 3.038 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)C[C@H](C)C#N)c1C#N ZINC000472423910 502347543 /nfs/dbraw/zinc/34/75/43/502347543.db2.gz GTWDRLUQAJYZTC-CQSZACIVSA-N 1 1 367.453 3.038 20 30 FGEDMO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)C(C)C ZINC000476026701 502361500 /nfs/dbraw/zinc/36/15/00/502361500.db2.gz CGOJLBNNDCGDJB-FXAWDEMLSA-N 1 1 372.557 3.453 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)c1 ZINC000472640133 502408352 /nfs/dbraw/zinc/40/83/52/502408352.db2.gz FSXICYJAXNTKTD-SFHVURJKSA-N 1 1 357.498 3.176 20 30 FGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469581315 502469642 /nfs/dbraw/zinc/46/96/42/502469642.db2.gz VMOBIBYGVHBEBX-DNVCBOLYSA-N 1 1 350.466 3.158 20 30 FGEDMO N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000469621768 502483889 /nfs/dbraw/zinc/48/38/89/502483889.db2.gz NAXMRHSTCGKMPM-CQSZACIVSA-N 1 1 357.454 3.401 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000469675296 502499517 /nfs/dbraw/zinc/49/95/17/502499517.db2.gz OTDWKAVNVTXWQY-CWJKEVGVSA-N 1 1 356.510 3.385 20 30 FGEDMO C[N@@H+](CCNC(=O)Nc1ccc(C#N)c(Br)c1)C1CCCC1 ZINC000487886907 502556500 /nfs/dbraw/zinc/55/65/00/502556500.db2.gz WUJGCKSAETZBMX-UHFFFAOYSA-N 1 1 365.275 3.317 20 30 FGEDMO CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000484092386 502567782 /nfs/dbraw/zinc/56/77/82/502567782.db2.gz CYAWASARPLVUBQ-GOSISDBHSA-N 1 1 371.481 3.329 20 30 FGEDMO C[C@@H](NC(=O)NCc1ccc(CC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582603118 506321489 /nfs/dbraw/zinc/32/14/89/506321489.db2.gz MTFGIZDEVJWJLB-APWZRJJASA-N 1 1 354.498 3.205 20 30 FGEDMO CC(C)[C@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC[N@H+]1C ZINC000487963783 502582954 /nfs/dbraw/zinc/58/29/54/502582954.db2.gz NDMLGSCUAMCZQY-SJLPKXTDSA-N 1 1 374.554 3.291 20 30 FGEDMO C=CC[N@H+](CCCC1CCOCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000469899284 502589832 /nfs/dbraw/zinc/58/98/32/502589832.db2.gz SDWAYRUQWKHUML-KRWDZBQOSA-N 1 1 355.486 3.418 20 30 FGEDMO C=CCOc1ccc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1OC ZINC000462861814 502603248 /nfs/dbraw/zinc/60/32/48/502603248.db2.gz TXJXREOCBNIEJX-HXUWFJFHSA-N 1 1 368.477 3.439 20 30 FGEDMO C=CCCO[C@@H](C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496154 502610903 /nfs/dbraw/zinc/61/09/03/502610903.db2.gz MMCPADGSYHLHBH-UGKGYDQZSA-N 1 1 356.510 3.482 20 30 FGEDMO C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@H+]1CCCC[C@@H]1C ZINC000466596964 502618707 /nfs/dbraw/zinc/61/87/07/502618707.db2.gz MQTNEJUBWRYKOM-HOTGVXAUSA-N 1 1 359.474 3.149 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ncccc2OCCCC#N)C[C@@H]1C ZINC000466609473 502622471 /nfs/dbraw/zinc/62/24/71/502622471.db2.gz LSNQEWCDGIBYJP-HOTGVXAUSA-N 1 1 359.474 3.101 20 30 FGEDMO C=CCCCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000488221733 502662789 /nfs/dbraw/zinc/66/27/89/502662789.db2.gz WDXAGRFXDWIQPK-UHFFFAOYSA-N 1 1 366.527 3.138 20 30 FGEDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)C1(C)C ZINC000477059946 502665678 /nfs/dbraw/zinc/66/56/78/502665678.db2.gz SECFLACGSOBRAK-MOPGFXCFSA-N 1 1 357.498 3.090 20 30 FGEDMO C=CC[N@@H+](CCOC)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000484581725 502675625 /nfs/dbraw/zinc/67/56/25/502675625.db2.gz GWUXORPIJMMPGN-QGZVFWFLSA-N 1 1 370.415 3.331 20 30 FGEDMO C=CC[N@H+](CCOC)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000484581725 502675632 /nfs/dbraw/zinc/67/56/32/502675632.db2.gz GWUXORPIJMMPGN-QGZVFWFLSA-N 1 1 370.415 3.331 20 30 FGEDMO COCC[N@@H+](C)CCCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000484587260 502677195 /nfs/dbraw/zinc/67/71/95/502677195.db2.gz ANIJBXROEOEOPP-UHFFFAOYSA-N 1 1 367.449 3.049 20 30 FGEDMO CSCC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1nnc2ccccn21 ZINC000488314687 502682782 /nfs/dbraw/zinc/68/27/82/502682782.db2.gz BZFXOXWLFBGTSJ-KRWDZBQOSA-N 1 1 351.479 3.493 20 30 FGEDMO C=CCCC1(C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)CC1 ZINC000477145359 502690755 /nfs/dbraw/zinc/69/07/55/502690755.db2.gz ZEDXFGVCOFGBCE-UHFFFAOYSA-N 1 1 355.442 3.032 20 30 FGEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000470169985 502692156 /nfs/dbraw/zinc/69/21/56/502692156.db2.gz MWJVFTOESVTQAV-WJDWOHSUSA-N 1 1 363.421 3.087 20 30 FGEDMO C=CCn1c(SC[C@@H]2CC[N@H+](C)C2)nnc1[C@@H]1COc2ccccc2O1 ZINC000473798704 502709217 /nfs/dbraw/zinc/70/92/17/502709217.db2.gz OMMGEAABTDXCSN-PBHICJAKSA-N 1 1 372.494 3.020 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)CCCCCn2c(C)nc3ccccc32)C1=O ZINC000463206734 502718973 /nfs/dbraw/zinc/71/89/73/502718973.db2.gz SAWHLXXLCXXWEP-HXUWFJFHSA-N 1 1 354.498 3.234 20 30 FGEDMO COCC[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2 ZINC000477285124 502729665 /nfs/dbraw/zinc/72/96/65/502729665.db2.gz YENUGPDOYCJHKI-UHFFFAOYSA-N 1 1 368.433 3.204 20 30 FGEDMO C=CCCN(C)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000467013282 502758311 /nfs/dbraw/zinc/75/83/11/502758311.db2.gz MYGHARSUJYNDAV-UHFFFAOYSA-N 1 1 350.532 3.135 20 30 FGEDMO C=C(C)C[N@@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000481215321 502785780 /nfs/dbraw/zinc/78/57/80/502785780.db2.gz XPUQHXRFIGOLCG-LJQANCHMSA-N 1 1 367.449 3.474 20 30 FGEDMO C=C(C)C[N@H+](C)CC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccco1 ZINC000481215321 502785787 /nfs/dbraw/zinc/78/57/87/502785787.db2.gz XPUQHXRFIGOLCG-LJQANCHMSA-N 1 1 367.449 3.474 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC000481212544 502785797 /nfs/dbraw/zinc/78/57/97/502785797.db2.gz PNOAQFFFAFMXAF-UHFFFAOYSA-N 1 1 371.444 3.131 20 30 FGEDMO C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437644 502803810 /nfs/dbraw/zinc/80/38/10/502803810.db2.gz QJWXNNYYEADDPZ-CVEARBPZSA-N 1 1 353.388 3.227 20 30 FGEDMO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437644 502803814 /nfs/dbraw/zinc/80/38/14/502803814.db2.gz QJWXNNYYEADDPZ-CVEARBPZSA-N 1 1 353.388 3.227 20 30 FGEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccns1 ZINC000602881328 506335914 /nfs/dbraw/zinc/33/59/14/506335914.db2.gz HDIYPHJWVFJMGQ-UHFFFAOYSA-N 1 1 360.508 3.416 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccns1 ZINC000602881328 506335916 /nfs/dbraw/zinc/33/59/16/506335916.db2.gz HDIYPHJWVFJMGQ-UHFFFAOYSA-N 1 1 360.508 3.416 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000495339864 502826842 /nfs/dbraw/zinc/82/68/42/502826842.db2.gz FPYKJDRULLOFLH-XLIONFOSSA-N 1 1 357.498 3.342 20 30 FGEDMO C=CCCc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000505046763 502845165 /nfs/dbraw/zinc/84/51/65/502845165.db2.gz YSBBZIOFIICJFP-UHFFFAOYSA-N 1 1 358.530 3.295 20 30 FGEDMO C=CCCc1ccccc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000505046763 502845167 /nfs/dbraw/zinc/84/51/67/502845167.db2.gz YSBBZIOFIICJFP-UHFFFAOYSA-N 1 1 358.530 3.295 20 30 FGEDMO CN1CC[N@@H+](CCCNc2cccc(F)c2C#N)[C@@H](c2ccccc2)C1 ZINC000513108549 502853968 /nfs/dbraw/zinc/85/39/68/502853968.db2.gz PJFLVIRFGXRYOP-OAQYLSRUSA-N 1 1 352.457 3.488 20 30 FGEDMO C[N@@H+]1CCN(CCCNc2cccc(F)c2C#N)[C@@H](c2ccccc2)C1 ZINC000513108549 502853973 /nfs/dbraw/zinc/85/39/73/502853973.db2.gz PJFLVIRFGXRYOP-OAQYLSRUSA-N 1 1 352.457 3.488 20 30 FGEDMO C[N@H+]1CCN(CCCNc2cccc(F)c2C#N)[C@@H](c2ccccc2)C1 ZINC000513108549 502853976 /nfs/dbraw/zinc/85/39/76/502853976.db2.gz PJFLVIRFGXRYOP-OAQYLSRUSA-N 1 1 352.457 3.488 20 30 FGEDMO C[N@H+](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000505126377 502855666 /nfs/dbraw/zinc/85/56/66/502855666.db2.gz RWXNWMQBVNHEBS-UHFFFAOYSA-N 1 1 363.461 3.060 20 30 FGEDMO C[N@@H+](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000505126377 502855669 /nfs/dbraw/zinc/85/56/69/502855669.db2.gz RWXNWMQBVNHEBS-UHFFFAOYSA-N 1 1 363.461 3.060 20 30 FGEDMO CO[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000513270737 502893535 /nfs/dbraw/zinc/89/35/35/502893535.db2.gz GYRQAUXVXPXGRL-ZDUSSCGKSA-N 1 1 372.444 3.010 20 30 FGEDMO CO[C@@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000513270737 502893539 /nfs/dbraw/zinc/89/35/39/502893539.db2.gz GYRQAUXVXPXGRL-ZDUSSCGKSA-N 1 1 372.444 3.010 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000496652804 502898331 /nfs/dbraw/zinc/89/83/31/502898331.db2.gz UPDQXOYPXJJHIY-LJQANCHMSA-N 1 1 361.534 3.426 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2cc(C#N)ccc2[N+](=O)[O-])cc1 ZINC000599140450 506341135 /nfs/dbraw/zinc/34/11/35/506341135.db2.gz SVJFICRYWRJMLT-INIZCTEOSA-N 1 1 352.394 3.161 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2cc(C#N)ccc2[N+](=O)[O-])cc1 ZINC000599140450 506341145 /nfs/dbraw/zinc/34/11/45/506341145.db2.gz SVJFICRYWRJMLT-INIZCTEOSA-N 1 1 352.394 3.161 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000513371295 502917723 /nfs/dbraw/zinc/91/77/23/502917723.db2.gz NNXCXJAXFHBSQE-MSOLQXFVSA-N 1 1 360.498 3.352 20 30 FGEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)cc1OC ZINC000513449876 502941763 /nfs/dbraw/zinc/94/17/63/502941763.db2.gz BGSWCMUGHBAGTD-IBGZPJMESA-N 1 1 366.461 3.497 20 30 FGEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(c3ccccc3)C2=O)cc1OC ZINC000513449876 502941768 /nfs/dbraw/zinc/94/17/68/502941768.db2.gz BGSWCMUGHBAGTD-IBGZPJMESA-N 1 1 366.461 3.497 20 30 FGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000489396450 502947031 /nfs/dbraw/zinc/94/70/31/502947031.db2.gz GHTZAEQTLGKTHY-SFHVURJKSA-N 1 1 352.482 3.146 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000489396450 502947034 /nfs/dbraw/zinc/94/70/34/502947034.db2.gz GHTZAEQTLGKTHY-SFHVURJKSA-N 1 1 352.482 3.146 20 30 FGEDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1 ZINC000505637515 502956722 /nfs/dbraw/zinc/95/67/22/502956722.db2.gz SKQKBUMRNJVVDF-UHFFFAOYSA-N 1 1 374.448 3.035 20 30 FGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000489469012 502966197 /nfs/dbraw/zinc/96/61/97/502966197.db2.gz CKRPWSFPIMVILT-GOSISDBHSA-N 1 1 357.498 3.213 20 30 FGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000489469012 502966199 /nfs/dbraw/zinc/96/61/99/502966199.db2.gz CKRPWSFPIMVILT-GOSISDBHSA-N 1 1 357.498 3.213 20 30 FGEDMO CC[C@H](OCC[NH+]1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 ZINC000593025606 506344241 /nfs/dbraw/zinc/34/42/41/506344241.db2.gz ZTXXLWBNDPHLOW-FQEVSTJZSA-N 1 1 350.466 3.243 20 30 FGEDMO C=CCCCS(=O)(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000489489814 502971516 /nfs/dbraw/zinc/97/15/16/502971516.db2.gz MSLHSYPUNXQOEL-HKUYNNGSSA-N 1 1 350.528 3.267 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@](C)(F)C2)c1C#N ZINC000501427261 503009015 /nfs/dbraw/zinc/00/90/15/503009015.db2.gz PQHKZSLBIVSQAW-HXUWFJFHSA-N 1 1 372.444 3.380 20 30 FGEDMO C=CCN(CC=C)C(=O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489681606 503009671 /nfs/dbraw/zinc/00/96/71/503009671.db2.gz FLAWKSAUZSYBQS-UHFFFAOYSA-N 1 1 355.526 3.031 20 30 FGEDMO C=CCN(CC=C)C(=O)CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489681606 503009673 /nfs/dbraw/zinc/00/96/73/503009673.db2.gz FLAWKSAUZSYBQS-UHFFFAOYSA-N 1 1 355.526 3.031 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489805568 503039578 /nfs/dbraw/zinc/03/95/78/503039578.db2.gz HXBRZJVCINUSFR-CQSZACIVSA-N 1 1 372.435 3.043 20 30 FGEDMO Cc1nn(C(C)(C)C)c(C)c1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000506098453 503046731 /nfs/dbraw/zinc/04/67/31/503046731.db2.gz DHOCDRMPJDMPJW-UHFFFAOYSA-N 1 1 365.525 3.444 20 30 FGEDMO C=CCN(CCc1ccco1)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000497865947 503057848 /nfs/dbraw/zinc/05/78/48/503057848.db2.gz XAZZDXNBZBGVOU-UHFFFAOYSA-N 1 1 359.445 3.291 20 30 FGEDMO C[N@H+]1CCCC[C@@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000599157302 506351731 /nfs/dbraw/zinc/35/17/31/506351731.db2.gz RULLYJKIGRCOEQ-SFHVURJKSA-N 1 1 352.482 3.089 20 30 FGEDMO COc1cc2c(c(C[NH+]3CCN(c4ccccc4C#N)CC3)c1)O[C@H](C)C2 ZINC000506393498 503108423 /nfs/dbraw/zinc/10/84/23/503108423.db2.gz DUANWLMCNCMOTF-MRXNPFEDSA-N 1 1 363.461 3.212 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000514245278 503124794 /nfs/dbraw/zinc/12/47/94/503124794.db2.gz VGWRTPUBPUQMLA-KRWDZBQOSA-N 1 1 365.477 3.352 20 30 FGEDMO C[C@@H](CSc1ccccc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000593047248 506357302 /nfs/dbraw/zinc/35/73/02/506357302.db2.gz XFQSYVLYWGQMCQ-INIZCTEOSA-N 1 1 353.491 3.287 20 30 FGEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000593047248 506357305 /nfs/dbraw/zinc/35/73/05/506357305.db2.gz XFQSYVLYWGQMCQ-INIZCTEOSA-N 1 1 353.491 3.287 20 30 FGEDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1C ZINC000498548560 503206165 /nfs/dbraw/zinc/20/61/65/503206165.db2.gz AUIRFXWAALHAOY-HZPDHXFCSA-N 1 1 367.449 3.285 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1C ZINC000498548560 503206167 /nfs/dbraw/zinc/20/61/67/503206167.db2.gz AUIRFXWAALHAOY-HZPDHXFCSA-N 1 1 367.449 3.285 20 30 FGEDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000602932594 506357833 /nfs/dbraw/zinc/35/78/33/506357833.db2.gz SYQGDZZNEMZPLK-UHFFFAOYSA-N 1 1 351.425 3.400 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510874767 503208475 /nfs/dbraw/zinc/20/84/75/503208475.db2.gz POSXQIVBTHMIPW-DZGCQCFKSA-N 1 1 353.388 3.400 20 30 FGEDMO Cc1onc(CC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)c1C#N ZINC000498553641 503208782 /nfs/dbraw/zinc/20/87/82/503208782.db2.gz BTOYHILKLBMCMM-HNNXBMFYSA-N 1 1 366.465 3.088 20 30 FGEDMO C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502547722 503222226 /nfs/dbraw/zinc/22/22/26/503222226.db2.gz DGJISLPGFAEVGI-INIZCTEOSA-N 1 1 365.502 3.456 20 30 FGEDMO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502547722 503222230 /nfs/dbraw/zinc/22/22/30/503222230.db2.gz DGJISLPGFAEVGI-INIZCTEOSA-N 1 1 365.502 3.456 20 30 FGEDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000498737246 503252722 /nfs/dbraw/zinc/25/27/22/503252722.db2.gz NCCCSAQOEZLBIG-QGZVFWFLSA-N 1 1 363.461 3.303 20 30 FGEDMO C[C@](C#N)(NC(=O)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1)C1CC1 ZINC000511123528 503261796 /nfs/dbraw/zinc/26/17/96/503261796.db2.gz JGANMJRBXRCTIA-VQTJNVASSA-N 1 1 361.436 3.357 20 30 FGEDMO CCCC[N@@H+](C)CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000491025655 503261858 /nfs/dbraw/zinc/26/18/58/503261858.db2.gz WWGZIHYFKQAPAA-UHFFFAOYSA-N 1 1 372.513 3.279 20 30 FGEDMO C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000582682933 506363640 /nfs/dbraw/zinc/36/36/40/506363640.db2.gz HKIVUBWHRZQZND-DYVFJYSZSA-N 1 1 351.410 3.124 20 30 FGEDMO CCc1cccc2c1OCC[C@@H]2[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000515348223 503320671 /nfs/dbraw/zinc/32/06/71/503320671.db2.gz WUDYVSJVHXTXIK-IBGZPJMESA-N 1 1 370.474 3.008 20 30 FGEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)[C@H](C(F)(F)F)C1 ZINC000507757600 503361345 /nfs/dbraw/zinc/36/13/45/503361345.db2.gz JLXCPFWAWOKSAN-MGPQQGTHSA-N 1 1 359.436 3.436 20 30 FGEDMO C=CC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1 ZINC000507781211 503365324 /nfs/dbraw/zinc/36/53/24/503365324.db2.gz ZINVYFSYWVRQMV-UHFFFAOYSA-N 1 1 351.450 3.091 20 30 FGEDMO CN(Cc1ccccc1)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507785204 503365492 /nfs/dbraw/zinc/36/54/92/503365492.db2.gz AFVRZRZULFCFDJ-UHFFFAOYSA-N 1 1 363.461 3.060 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC(F)(C#N)CC2)cc1 ZINC000499314537 503378297 /nfs/dbraw/zinc/37/82/97/503378297.db2.gz IZFBTSFQPDDLGN-CQSZACIVSA-N 1 1 355.417 3.279 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503378726 503397684 /nfs/dbraw/zinc/39/76/84/503397684.db2.gz UDHWGCBGOFDYKL-ROUUACIJSA-N 1 1 358.530 3.212 20 30 FGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511842358 503399121 /nfs/dbraw/zinc/39/91/21/503399121.db2.gz JYPMEJAIGFIHDX-FQEVSTJZSA-N 1 1 362.521 3.369 20 30 FGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCN1CCN(Cc2ccccc2)CC1 ZINC000511842358 503399125 /nfs/dbraw/zinc/39/91/25/503399125.db2.gz JYPMEJAIGFIHDX-FQEVSTJZSA-N 1 1 362.521 3.369 20 30 FGEDMO C[NH+](C)Cc1cnc(CNCC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000511996812 503431719 /nfs/dbraw/zinc/43/17/19/503431719.db2.gz LSIOQELIMXLHLV-UHFFFAOYSA-N 1 1 353.413 3.365 20 30 FGEDMO Cc1cc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)ccc1C#N ZINC000593066491 506371307 /nfs/dbraw/zinc/37/13/07/506371307.db2.gz FIIVYDZLMLNCAK-PKTZIBPZSA-N 1 1 361.489 3.342 20 30 FGEDMO N#Cc1c(F)cccc1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000593067999 506371428 /nfs/dbraw/zinc/37/14/28/506371428.db2.gz OGEGRVVEFNDRBY-FGZHOGPDSA-N 1 1 365.452 3.173 20 30 FGEDMO CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCOC1 ZINC000593069435 506372825 /nfs/dbraw/zinc/37/28/25/506372825.db2.gz RUXWJEPNNBWUHS-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCOC1 ZINC000593069435 506372833 /nfs/dbraw/zinc/37/28/33/506372833.db2.gz RUXWJEPNNBWUHS-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000512108150 503459687 /nfs/dbraw/zinc/45/96/87/503459687.db2.gz SCONZCCFAQEOCK-QWHCGFSZSA-N 1 1 356.388 3.435 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000512108150 503459692 /nfs/dbraw/zinc/45/96/92/503459692.db2.gz SCONZCCFAQEOCK-QWHCGFSZSA-N 1 1 356.388 3.435 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCCC[C@H]1C ZINC000512154739 503471850 /nfs/dbraw/zinc/47/18/50/503471850.db2.gz OVDJORBXSHQLTK-OAHLLOKOSA-N 1 1 360.502 3.216 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCS[C@H](C)CC2)cc1 ZINC000494116374 503490606 /nfs/dbraw/zinc/49/06/06/503490606.db2.gz LFVXTDCBDUMSFD-MRXNPFEDSA-N 1 1 361.511 3.159 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCS[C@H](C)CC2)cc1 ZINC000494116374 503490607 /nfs/dbraw/zinc/49/06/07/503490607.db2.gz LFVXTDCBDUMSFD-MRXNPFEDSA-N 1 1 361.511 3.159 20 30 FGEDMO C=CCn1c(-c2ncccc2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000508470650 503500207 /nfs/dbraw/zinc/50/02/07/503500207.db2.gz CXVOVLNQAOTQRY-KRWDZBQOSA-N 1 1 354.502 3.003 20 30 FGEDMO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000508482201 503502440 /nfs/dbraw/zinc/50/24/40/503502440.db2.gz WSXGUNVRQXXDCI-QGZVFWFLSA-N 1 1 359.543 3.285 20 30 FGEDMO C=CCn1c(CCCc2cccs2)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000508497463 503506313 /nfs/dbraw/zinc/50/63/13/503506313.db2.gz LJBBISCFNRAMOV-SFHVURJKSA-N 1 1 373.570 3.477 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C1=O ZINC000499988797 503528287 /nfs/dbraw/zinc/52/82/87/503528287.db2.gz QSZHMQDEEGRNGP-GOSISDBHSA-N 1 1 360.461 3.220 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)C1=O ZINC000499988797 503528291 /nfs/dbraw/zinc/52/82/91/503528291.db2.gz QSZHMQDEEGRNGP-GOSISDBHSA-N 1 1 360.461 3.220 20 30 FGEDMO C[C@H](CC#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]1(C)c1ccccc1 ZINC000599222453 506377162 /nfs/dbraw/zinc/37/71/62/506377162.db2.gz ZJLBSLALSWWKJE-JZWVFAODSA-N 1 1 361.489 3.495 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(Br)c(Cl)c2)C1=O ZINC000500017175 503533998 /nfs/dbraw/zinc/53/39/98/503533998.db2.gz ILUPITNYEBSIBL-CQSZACIVSA-N 1 1 357.679 3.321 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)c(Cl)c2)C1=O ZINC000500017175 503534001 /nfs/dbraw/zinc/53/40/01/503534001.db2.gz ILUPITNYEBSIBL-CQSZACIVSA-N 1 1 357.679 3.321 20 30 FGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000500073309 503545928 /nfs/dbraw/zinc/54/59/28/503545928.db2.gz MKSWMTXLFRVJDP-KRWDZBQOSA-N 1 1 352.400 3.438 20 30 FGEDMO C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508834581 503573378 /nfs/dbraw/zinc/57/33/78/503573378.db2.gz VIMXGWXECOWEDB-WMZOPIPTSA-N 1 1 367.497 3.486 20 30 FGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000512542675 503580418 /nfs/dbraw/zinc/58/04/18/503580418.db2.gz SVFMOAZTEUQMIB-HXUWFJFHSA-N 1 1 368.481 3.154 20 30 FGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000512542674 503580576 /nfs/dbraw/zinc/58/05/76/503580576.db2.gz SVFMOAZTEUQMIB-FQEVSTJZSA-N 1 1 368.481 3.154 20 30 FGEDMO C=CC[N@@H+](C)CC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000494654052 503584931 /nfs/dbraw/zinc/58/49/31/503584931.db2.gz MMZYIIRSVHEAPB-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO C=CC[N@H+](C)CC(=O)N(C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000494654052 503584935 /nfs/dbraw/zinc/58/49/35/503584935.db2.gz MMZYIIRSVHEAPB-UHFFFAOYSA-N 1 1 368.477 3.350 20 30 FGEDMO C=CCSCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000508878407 503586323 /nfs/dbraw/zinc/58/63/23/503586323.db2.gz HOJHKWJEOYAYOD-QGZVFWFLSA-N 1 1 372.456 3.476 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494705885 503598011 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20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000567736273 505553185 /nfs/dbraw/zinc/55/31/85/505553185.db2.gz DKQHPMIDVBVJEP-YQQAZPJKSA-N 1 1 358.511 3.496 20 30 FGEDMO C[N@@H+](CCc1cccc2ccccc21)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599283056 506397558 /nfs/dbraw/zinc/39/75/58/506397558.db2.gz YXNYBUNLGBSIDE-HXUWFJFHSA-N 1 1 352.478 3.385 20 30 FGEDMO CC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000599287815 506398866 /nfs/dbraw/zinc/39/88/66/506398866.db2.gz WVTJVJROQDPSHT-XLIONFOSSA-N 1 1 368.477 3.260 20 30 FGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)C12CCCCC2 ZINC000599299030 506401405 /nfs/dbraw/zinc/40/14/05/506401405.db2.gz FDGSKMLOIWSLTE-CEXWTWQISA-N 1 1 364.530 3.117 20 30 FGEDMO C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCc2ccc(F)cc21 ZINC000593115901 506402056 /nfs/dbraw/zinc/40/20/56/506402056.db2.gz NEUKYKSPNUMQCW-KXBFYZLASA-N 1 1 354.425 3.099 20 30 FGEDMO COc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)cc1 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C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000612148865 506462346 /nfs/dbraw/zinc/46/23/46/506462346.db2.gz IIHMUMVOPWJXFN-LNLFQRSKSA-N 1 1 360.889 3.420 20 30 FGEDMO CC(C)C[N@@H+](C)CCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000593205081 506463517 /nfs/dbraw/zinc/46/35/17/506463517.db2.gz VNMHTPXZLLCMHF-UHFFFAOYSA-N 1 1 366.465 3.453 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599585307 506513536 /nfs/dbraw/zinc/51/35/36/506513536.db2.gz FCWIYCMFFWOSOI-ULQDDVLXSA-N 1 1 352.519 3.099 20 30 FGEDMO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)c(OC)c1 ZINC000599600295 506524746 /nfs/dbraw/zinc/52/47/46/506524746.db2.gz KLDNUNANXPKSHY-INIZCTEOSA-N 1 1 367.449 3.301 20 30 FGEDMO N#Cc1cccc2c1CN(C(=O)NC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000593330130 506546382 /nfs/dbraw/zinc/54/63/82/506546382.db2.gz HPLKBPOHMFDUCN-IBGZPJMESA-N 1 1 374.488 3.496 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596703697 506548899 /nfs/dbraw/zinc/54/88/99/506548899.db2.gz RWTMWNXGNPOQTL-QGZVFWFLSA-N 1 1 356.470 3.200 20 30 FGEDMO N#Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000589452020 506552254 /nfs/dbraw/zinc/55/22/54/506552254.db2.gz GVDXEOCZZORSBG-NQIIRXRSSA-N 1 1 360.461 3.080 20 30 FGEDMO N#CC[C@@H]1CCCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000596707606 506552260 /nfs/dbraw/zinc/55/22/60/506552260.db2.gz HPMLWNXIYKKVIE-INIZCTEOSA-N 1 1 358.511 3.393 20 30 FGEDMO CC(C)(C#N)CNC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612378628 506552617 /nfs/dbraw/zinc/55/26/17/506552617.db2.gz OPNFYQIYQWBTQM-CEXWTWQISA-N 1 1 354.498 3.136 20 30 FGEDMO N#Cc1cccc2c1CN(C(=O)NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)C2 ZINC000593344438 506559172 /nfs/dbraw/zinc/55/91/72/506559172.db2.gz UDBCFLAXYDYCHI-IBGZPJMESA-N 1 1 374.488 3.148 20 30 FGEDMO C[C@@H](c1ccc(NC(=O)N2CCC[C@H](CC#N)C2)cc1)[NH+]1CCOCC1 ZINC000596739609 506571898 /nfs/dbraw/zinc/57/18/98/506571898.db2.gz ZZSUBNWBFUTRDP-DLBZAZTESA-N 1 1 356.470 3.237 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]([C@@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000599682943 506579162 /nfs/dbraw/zinc/57/91/62/506579162.db2.gz NLISSVKAXBTFPD-FUHIMQAGSA-N 1 1 357.498 3.019 20 30 FGEDMO C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686830 506580162 /nfs/dbraw/zinc/58/01/62/506580162.db2.gz ZQLCRMNNQISWBN-OAHLLOKOSA-N 1 1 367.880 3.469 20 30 FGEDMO C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686830 506580172 /nfs/dbraw/zinc/58/01/72/506580172.db2.gz ZQLCRMNNQISWBN-OAHLLOKOSA-N 1 1 367.880 3.469 20 30 FGEDMO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685267 506580286 /nfs/dbraw/zinc/58/02/86/506580286.db2.gz CROKPMZDTIGGQJ-MRXNPFEDSA-N 1 1 365.452 3.297 20 30 FGEDMO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685267 506580293 /nfs/dbraw/zinc/58/02/93/506580293.db2.gz CROKPMZDTIGGQJ-MRXNPFEDSA-N 1 1 365.452 3.297 20 30 FGEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000612449089 506583925 /nfs/dbraw/zinc/58/39/25/506583925.db2.gz XYPHAPSPGBDPCF-UHFFFAOYSA-N 1 1 366.465 3.153 20 30 FGEDMO CCCCCNC(=O)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000603661977 506589339 /nfs/dbraw/zinc/58/93/39/506589339.db2.gz XVNQOGDXXXHLON-UHFFFAOYSA-N 1 1 352.482 3.329 20 30 FGEDMO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000603850694 506633235 /nfs/dbraw/zinc/63/32/35/506633235.db2.gz UJXOMGGAVCMWME-MRXNPFEDSA-N 1 1 373.497 3.054 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1C#N ZINC000589752055 506642794 /nfs/dbraw/zinc/64/27/94/506642794.db2.gz KYBHOUUUIPLZBP-HSZRJFAPSA-N 1 1 372.472 3.188 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1C#N ZINC000589752055 506642797 /nfs/dbraw/zinc/64/27/97/506642797.db2.gz KYBHOUUUIPLZBP-HSZRJFAPSA-N 1 1 372.472 3.188 20 30 FGEDMO COc1ccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)c2ccccc2)cc1 ZINC000603901444 506653489 /nfs/dbraw/zinc/65/34/89/506653489.db2.gz OBALRXSHTOJLCF-FGZHOGPDSA-N 1 1 363.461 3.183 20 30 FGEDMO CCN(C(=O)CC1(C#N)CCOCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000596886444 506656959 /nfs/dbraw/zinc/65/69/59/506656959.db2.gz IXJRTSMMBZZXNJ-UYAOXDASSA-N 1 1 369.509 3.381 20 30 FGEDMO CCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CC[N@@H+](C)C1 ZINC000596892272 506660163 /nfs/dbraw/zinc/66/01/63/506660163.db2.gz CTNOMGBMTUJBMY-ZDUSSCGKSA-N 1 1 356.348 3.015 20 30 FGEDMO CCC[C@H](C#N)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000583300906 506704462 /nfs/dbraw/zinc/70/44/62/506704462.db2.gz MYSDXMFCSFIXRN-MRXNPFEDSA-N 1 1 352.482 3.216 20 30 FGEDMO N#Cc1c(F)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000596970444 506705167 /nfs/dbraw/zinc/70/51/67/506705167.db2.gz JUWFQWIHUXUJEW-MRXNPFEDSA-N 1 1 369.415 3.478 20 30 FGEDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cnc2c(C#N)cnn2c1 ZINC000593652642 506715903 /nfs/dbraw/zinc/71/59/03/506715903.db2.gz IUUSREPVVMAPLP-KSZLIROESA-N 1 1 374.492 3.084 20 30 FGEDMO CCC[N@@H+](C)[C@@H](CNC(=O)Cc1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000599928345 506716917 /nfs/dbraw/zinc/71/69/17/506716917.db2.gz MTQDVEZHZGYBPO-IBGZPJMESA-N 1 1 370.884 3.348 20 30 FGEDMO N#Cc1ccc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000593669521 506721335 /nfs/dbraw/zinc/72/13/35/506721335.db2.gz RVBYITFSHZZRRE-WOJBJXKFSA-N 1 1 353.491 3.095 20 30 FGEDMO CC(C)(COc1ccc(C(F)(F)F)cn1)[NH2+]Cc1nc(C#N)cs1 ZINC000583351411 506730952 /nfs/dbraw/zinc/73/09/52/506730952.db2.gz YJDOJLIOIVULEO-UHFFFAOYSA-N 1 1 356.373 3.376 20 30 FGEDMO N#CC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000600091966 506772381 /nfs/dbraw/zinc/77/23/81/506772381.db2.gz AAPYKCQDTONVEZ-SESVDKBCSA-N 1 1 351.494 3.297 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000609133292 506785798 /nfs/dbraw/zinc/78/57/98/506785798.db2.gz GYEQOCCLUDJREQ-QGZVFWFLSA-N 1 1 363.461 3.128 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597131446 506792480 /nfs/dbraw/zinc/79/24/80/506792480.db2.gz WHVHSEGLSHCUNF-NRFANRHFSA-N 1 1 354.542 3.090 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609239972 506823349 /nfs/dbraw/zinc/82/33/49/506823349.db2.gz GMGHDOBLOMJSHH-BEFAXECRSA-N 1 1 366.440 3.332 20 30 FGEDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)C2)C1 ZINC000590506171 506842866 /nfs/dbraw/zinc/84/28/66/506842866.db2.gz MQZASUSZTDMMCN-KRWDZBQOSA-N 1 1 352.265 3.423 20 30 FGEDMO C[C@H]1Cc2ccccc2N1C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000604483299 506845418 /nfs/dbraw/zinc/84/54/18/506845418.db2.gz MJVMJROAVSBXME-KRWDZBQOSA-N 1 1 374.488 3.412 20 30 FGEDMO C=CCc1cc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)cc(OC)c1O ZINC000600215869 506852868 /nfs/dbraw/zinc/85/28/68/506852868.db2.gz RFIJGIVBVLZXFW-LJQANCHMSA-N 1 1 367.445 3.402 20 30 FGEDMO C=CCc1cc(C[N@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)cc(OC)c1O ZINC000600215869 506852873 /nfs/dbraw/zinc/85/28/73/506852873.db2.gz RFIJGIVBVLZXFW-LJQANCHMSA-N 1 1 367.445 3.402 20 30 FGEDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)CCCCC#N)CC2)c1C ZINC000593975289 506861591 /nfs/dbraw/zinc/86/15/91/506861591.db2.gz MGNHGGVVAFVWRT-UHFFFAOYSA-N 1 1 372.513 3.214 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](Cc3cc4cc(Cl)cnc4o3)CC2)nc1 ZINC000590638575 506891584 /nfs/dbraw/zinc/89/15/84/506891584.db2.gz JGHJBMAYYYSFQA-UHFFFAOYSA-N 1 1 353.813 3.070 20 30 FGEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](OC4CCC4)C3)C2=O)cc1 ZINC000594027580 506892735 /nfs/dbraw/zinc/89/27/35/506892735.db2.gz WOVYCMORMALKMP-VQTJNVASSA-N 1 1 353.466 3.087 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCO)CC(C)(C)C ZINC000609483445 506894003 /nfs/dbraw/zinc/89/40/03/506894003.db2.gz CVNGLWJOUCBXAJ-OAHLLOKOSA-N 1 1 363.527 3.360 20 30 FGEDMO N#CCCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000594038617 506900634 /nfs/dbraw/zinc/90/06/34/506900634.db2.gz HRECMGYIFKSGKS-HXUWFJFHSA-N 1 1 369.509 3.115 20 30 FGEDMO CC(C)[N@H+]1CCCC[C@H]1CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000590714640 506922699 /nfs/dbraw/zinc/92/26/99/506922699.db2.gz VDZSKGLXHAGTTH-LEWJYISDSA-N 1 1 358.505 3.271 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000590762230 506942765 /nfs/dbraw/zinc/94/27/65/506942765.db2.gz FJEPIPSKDRJONL-DNVCBOLYSA-N 1 1 352.434 3.101 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000609638246 506957107 /nfs/dbraw/zinc/95/71/07/506957107.db2.gz ABEONJSXTVTQPR-SFHVURJKSA-N 1 1 364.449 3.353 20 30 FGEDMO N#Cc1cccc(OCCCCC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600472128 506962228 /nfs/dbraw/zinc/96/22/28/506962228.db2.gz MXBCXTUIPOLCNJ-LJQANCHMSA-N 1 1 355.482 3.240 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc2ccccc2n1CC#N ZINC000613206118 506967406 /nfs/dbraw/zinc/96/74/06/506967406.db2.gz OTEXHJQACUUHIK-YLJYHZDGSA-N 1 1 372.472 3.415 20 30 FGEDMO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000609672015 506970177 /nfs/dbraw/zinc/97/01/77/506970177.db2.gz MMMFSVWXIZNFSP-PCCBWWKXSA-N 1 1 363.461 3.184 20 30 FGEDMO N#Cc1cc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)ncn1 ZINC000583790126 506973916 /nfs/dbraw/zinc/97/39/16/506973916.db2.gz CTKMDALXOGWKSF-UHFFFAOYSA-N 1 1 372.270 3.187 20 30 FGEDMO C[C@H](CCNC(=O)N1Cc2ccc(C#N)cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000594235708 507031837 /nfs/dbraw/zinc/03/18/37/507031837.db2.gz SKVOBJNYUJEOKE-QGZVFWFLSA-N 1 1 362.477 3.494 20 30 FGEDMO Cc1ccccc1C[N@H+]1CCCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000590950754 507056458 /nfs/dbraw/zinc/05/64/58/507056458.db2.gz ISUQSYNJQMOYIN-UHFFFAOYSA-N 1 1 364.449 3.483 20 30 FGEDMO CC[N@@H+](CCNC(=O)[C@@H](C)Cc1ccc(C#N)cc1)CCC(F)(F)F ZINC000594345635 507088393 /nfs/dbraw/zinc/08/83/93/507088393.db2.gz ZIKCIUIYKRJOOI-AWEZNQCLSA-N 1 1 355.404 3.127 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000591062196 507095508 /nfs/dbraw/zinc/09/55/08/507095508.db2.gz XCZLBERNLTWTQG-SFHVURJKSA-N 1 1 355.482 3.454 20 30 FGEDMO C[C@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000597779456 507098584 /nfs/dbraw/zinc/09/85/84/507098584.db2.gz PIGXNJVOZBCTLD-AWEZNQCLSA-N 1 1 355.388 3.183 20 30 FGEDMO C[C@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000597779456 507098594 /nfs/dbraw/zinc/09/85/94/507098594.db2.gz PIGXNJVOZBCTLD-AWEZNQCLSA-N 1 1 355.388 3.183 20 30 FGEDMO COc1ccc(C[N@@H+](C)CCOc2ccc(C#N)cc2OC)cc1OC ZINC000610132351 507110497 /nfs/dbraw/zinc/11/04/97/507110497.db2.gz YFRFFFSCTHWPTA-UHFFFAOYSA-N 1 1 356.422 3.095 20 30 FGEDMO CC(C)[C@@H](C#N)N1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000610133170 507111638 /nfs/dbraw/zinc/11/16/38/507111638.db2.gz IVTOBNGNCKBENA-QGZVFWFLSA-N 1 1 373.888 3.098 20 30 FGEDMO Cc1cccc2c1ncc(C#N)c2NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000610246052 507157953 /nfs/dbraw/zinc/15/79/53/507157953.db2.gz RWLVBKDWMWTJQZ-IYBDPMFKSA-N 1 1 352.482 3.137 20 30 FGEDMO N#Cc1nccc(NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000594550164 507181046 /nfs/dbraw/zinc/18/10/46/507181046.db2.gz LVOQEWFINQHVSI-UHFFFAOYSA-N 1 1 362.264 3.153 20 30 FGEDMO C[C@H](N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000594551842 507181312 /nfs/dbraw/zinc/18/13/12/507181312.db2.gz SFFSOKQUMUQUHO-KKXDTOCCSA-N 1 1 360.889 3.145 20 30 FGEDMO C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000594551842 507181325 /nfs/dbraw/zinc/18/13/25/507181325.db2.gz SFFSOKQUMUQUHO-KKXDTOCCSA-N 1 1 360.889 3.145 20 30 FGEDMO CCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CC[N@@H+](CC)C1 ZINC000598040136 507229609 /nfs/dbraw/zinc/22/96/09/507229609.db2.gz CZEDPHTWDZUBKQ-KRWDZBQOSA-N 1 1 367.449 3.287 20 30 FGEDMO CC(C)[C@@H](C#N)N1CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000610412814 507231228 /nfs/dbraw/zinc/23/12/28/507231228.db2.gz ZJKCDSOIAYSFLE-QGZVFWFLSA-N 1 1 371.403 3.130 20 30 FGEDMO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000594919567 507315751 /nfs/dbraw/zinc/31/57/51/507315751.db2.gz BNAPEXCSIOFFRG-RXVVDRJESA-N 1 1 355.526 3.468 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NCc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000594919567 507315755 /nfs/dbraw/zinc/31/57/55/507315755.db2.gz BNAPEXCSIOFFRG-RXVVDRJESA-N 1 1 355.526 3.468 20 30 FGEDMO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000594919567 507315759 /nfs/dbraw/zinc/31/57/59/507315759.db2.gz BNAPEXCSIOFFRG-RXVVDRJESA-N 1 1 355.526 3.468 20 30 FGEDMO N#CC1(c2ccc(CNC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)cc2)CC1 ZINC000594931857 507319790 /nfs/dbraw/zinc/31/97/90/507319790.db2.gz SPKRWCGWWAMXLI-SFTDATJTSA-N 1 1 353.510 3.099 20 30 FGEDMO C[NH+](C)CCCOc1cnccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594953933 507329381 /nfs/dbraw/zinc/32/93/81/507329381.db2.gz KCLBESYFVWSLOT-UHFFFAOYSA-N 1 1 364.493 3.257 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000594957916 507332049 /nfs/dbraw/zinc/33/20/49/507332049.db2.gz WYBSKONKPYXOMQ-LJQANCHMSA-N 1 1 351.498 3.426 20 30 FGEDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000594957916 507332054 /nfs/dbraw/zinc/33/20/54/507332054.db2.gz WYBSKONKPYXOMQ-LJQANCHMSA-N 1 1 351.498 3.426 20 30 FGEDMO N#Cc1cccc(C2([NH2+]Cc3cn4cccc(F)c4n3)CCOCC2)c1 ZINC000594983228 507341550 /nfs/dbraw/zinc/34/15/50/507341550.db2.gz IPVOZIYSVFPLIU-UHFFFAOYSA-N 1 1 350.397 3.141 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)NCC3(C#N)CCCCC3)cc2)C[C@H](C)O1 ZINC000598303138 507366456 /nfs/dbraw/zinc/36/64/56/507366456.db2.gz UVCILBWIQIUZMT-ROUUACIJSA-N 1 1 369.509 3.500 20 30 FGEDMO Cc1nc(CN2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)oc1C ZINC000614166127 507390777 /nfs/dbraw/zinc/39/07/77/507390777.db2.gz WYQOBDIMQQGKBC-UHFFFAOYSA-N 1 1 352.482 3.410 20 30 FGEDMO COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614166969 507392425 /nfs/dbraw/zinc/39/24/25/507392425.db2.gz RHPNBGLSUCOUFZ-UHFFFAOYSA-N 1 1 368.477 3.499 20 30 FGEDMO COc1ccc(OC)c(C[N@@H+](CCO)Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614166969 507392431 /nfs/dbraw/zinc/39/24/31/507392431.db2.gz RHPNBGLSUCOUFZ-UHFFFAOYSA-N 1 1 368.477 3.499 20 30 FGEDMO Cc1nsc(N2CCC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)CC2)n1 ZINC000614168541 507393667 /nfs/dbraw/zinc/39/36/67/507393667.db2.gz IJNNPVCRMYDWCL-UHFFFAOYSA-N 1 1 355.511 3.360 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(Cc3cnc4ccccc4n3)CC2)cc1 ZINC000595287251 507448687 /nfs/dbraw/zinc/44/86/87/507448687.db2.gz ATTLJOXNXNNTTN-UHFFFAOYSA-N 1 1 357.461 3.209 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@H+](Cc3cnc4ccccc4n3)CC2)cc1 ZINC000595287251 507448692 /nfs/dbraw/zinc/44/86/92/507448692.db2.gz ATTLJOXNXNNTTN-UHFFFAOYSA-N 1 1 357.461 3.209 20 30 FGEDMO N#Cc1ccc(CN2CCC[N@@H+](Cc3cnc4ccccc4n3)CC2)cc1 ZINC000595287251 507448699 /nfs/dbraw/zinc/44/86/99/507448699.db2.gz ATTLJOXNXNNTTN-UHFFFAOYSA-N 1 1 357.461 3.209 20 30 FGEDMO N#Cc1cc(F)cc(C2(C(=O)NC[C@H]3CC[N@H+]3Cc3ccccc3)CC2)c1 ZINC000598512166 507468195 /nfs/dbraw/zinc/46/81/95/507468195.db2.gz SCAPMXKPBKXVBY-HXUWFJFHSA-N 1 1 363.436 3.120 20 30 FGEDMO CCN1C[C@H](C[N@@H+](C)Cc2ccc(OC)c(C#N)c2)Oc2ccccc21 ZINC000610991360 507470342 /nfs/dbraw/zinc/47/03/42/507470342.db2.gz ARAFQYMXDZWQNU-SFHVURJKSA-N 1 1 351.450 3.286 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2C2CC2)[C@H](C)C1 ZINC000584725591 507472220 /nfs/dbraw/zinc/47/22/20/507472220.db2.gz IYYUZTJMRLXEIF-BEFAXECRSA-N 1 1 364.497 3.318 20 30 FGEDMO CC(C)[NH+]1CCN(C2CCN([C@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595404078 507481965 /nfs/dbraw/zinc/48/19/65/507481965.db2.gz RXLLWLXARWRFIB-HXUWFJFHSA-N 1 1 360.933 3.395 20 30 FGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000598596060 507509955 /nfs/dbraw/zinc/50/99/55/507509955.db2.gz QFOISMQOKCTLJW-HZPDHXFCSA-N 1 1 356.388 3.379 20 30 FGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000598596060 507509965 /nfs/dbraw/zinc/50/99/65/507509965.db2.gz QFOISMQOKCTLJW-HZPDHXFCSA-N 1 1 356.388 3.379 20 30 FGEDMO CC[N@H+]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@H]1C ZINC000611088259 507511480 /nfs/dbraw/zinc/51/14/80/507511480.db2.gz MLFQOQVDOXONKO-QGZVFWFLSA-N 1 1 363.461 3.303 20 30 FGEDMO CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000598596716 507512501 /nfs/dbraw/zinc/51/25/01/507512501.db2.gz ULLQATMCMIIRBR-HXUWFJFHSA-N 1 1 371.525 3.304 20 30 FGEDMO CC[N@H+]1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C ZINC000611091888 507513486 /nfs/dbraw/zinc/51/34/86/507513486.db2.gz BPONWOGGTRMTEB-HOTGVXAUSA-N 1 1 360.527 3.045 20 30 FGEDMO C=CCCSCCNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000595470970 507515624 /nfs/dbraw/zinc/51/56/24/507515624.db2.gz VXCFPXYCNDUIBX-UHFFFAOYSA-N 1 1 362.474 3.428 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183031 507527958 /nfs/dbraw/zinc/52/79/58/507527958.db2.gz HTXYVFLTROMIRU-KBPBESRZSA-N 1 1 361.873 3.430 20 30 FGEDMO COc1cccc(SCC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000595501481 507531850 /nfs/dbraw/zinc/53/18/50/507531850.db2.gz KYENLCRXGIAOFJ-QGZVFWFLSA-N 1 1 355.463 3.207 20 30 FGEDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000611153143 507536750 /nfs/dbraw/zinc/53/67/50/507536750.db2.gz MDOTVNRLVDOJEI-IBGZPJMESA-N 1 1 350.462 3.286 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)Cc3ccc(C#N)cc3)C2)s1 ZINC000584843533 507537069 /nfs/dbraw/zinc/53/70/69/507537069.db2.gz MCGHIRCKUNYRNE-IBGZPJMESA-N 1 1 367.518 3.451 20 30 FGEDMO CCCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CC[N@@H+](C)C1 ZINC000592226357 507545283 /nfs/dbraw/zinc/54/52/83/507545283.db2.gz KPFOYQKKNFUOJA-ZDUSSCGKSA-N 1 1 352.385 3.108 20 30 FGEDMO CC[N@H+]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C)C1 ZINC000595536496 507549395 /nfs/dbraw/zinc/54/93/95/507549395.db2.gz YOORSJTVSNWCQI-OAHLLOKOSA-N 1 1 374.554 3.243 20 30 FGEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000595552152 507557373 /nfs/dbraw/zinc/55/73/73/507557373.db2.gz OLBZICIIYXQKKQ-UHFFFAOYSA-N 1 1 373.460 3.328 20 30 FGEDMO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245241 507577713 /nfs/dbraw/zinc/57/77/13/507577713.db2.gz FTTPPRSMZMQMSS-QHCPKHFHSA-N 1 1 361.489 3.140 20 30 FGEDMO CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245241 507577720 /nfs/dbraw/zinc/57/77/20/507577720.db2.gz FTTPPRSMZMQMSS-QHCPKHFHSA-N 1 1 361.489 3.140 20 30 FGEDMO CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245241 507577724 /nfs/dbraw/zinc/57/77/24/507577724.db2.gz FTTPPRSMZMQMSS-QHCPKHFHSA-N 1 1 361.489 3.140 20 30 FGEDMO N#Cc1ccc(CCNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000595596455 507582102 /nfs/dbraw/zinc/58/21/02/507582102.db2.gz LQDQHKBAXLNNQT-FQEVSTJZSA-N 1 1 354.498 3.197 20 30 FGEDMO COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCC[C@H](CC#N)C3)ccc2c1 ZINC000595610389 507588124 /nfs/dbraw/zinc/58/81/24/507588124.db2.gz XQPZANRFAQVIQC-QGZVFWFLSA-N 1 1 365.477 3.432 20 30 FGEDMO COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCC[C@H](CC#N)C3)ccc2c1 ZINC000595610389 507588131 /nfs/dbraw/zinc/58/81/31/507588131.db2.gz XQPZANRFAQVIQC-QGZVFWFLSA-N 1 1 365.477 3.432 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000611302578 507613425 /nfs/dbraw/zinc/61/34/25/507613425.db2.gz JXOAKKNREKVSNL-INIZCTEOSA-N 1 1 364.287 3.348 20 30 FGEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000586776202 507669050 /nfs/dbraw/zinc/66/90/50/507669050.db2.gz YUMJFEYWRBKEEO-XERREHJYSA-N 1 1 355.482 3.277 20 30 FGEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000586776202 507669056 /nfs/dbraw/zinc/66/90/56/507669056.db2.gz YUMJFEYWRBKEEO-XERREHJYSA-N 1 1 355.482 3.277 20 30 FGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)C1 ZINC000592523392 507692864 /nfs/dbraw/zinc/69/28/64/507692864.db2.gz LPSSZJNVYAQVBV-FQEVSTJZSA-N 1 1 369.852 3.443 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1OCc1ccccc1 ZINC000592523390 507693065 /nfs/dbraw/zinc/69/30/65/507693065.db2.gz LOLRKMYQRLVPHD-OAQYLSRUSA-N 1 1 352.434 3.125 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1OCc1ccccc1 ZINC000592523390 507693069 /nfs/dbraw/zinc/69/30/69/507693069.db2.gz LOLRKMYQRLVPHD-OAQYLSRUSA-N 1 1 352.434 3.125 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595825983 507703168 /nfs/dbraw/zinc/70/31/68/507703168.db2.gz IGKJGQUBRNEUFQ-YJBOKZPZSA-N 1 1 366.465 3.306 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N(C)c3ccccc3)C2)c(C#N)c1C ZINC000595825983 507703171 /nfs/dbraw/zinc/70/31/71/507703171.db2.gz IGKJGQUBRNEUFQ-YJBOKZPZSA-N 1 1 366.465 3.306 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000595827118 507703457 /nfs/dbraw/zinc/70/34/57/507703457.db2.gz ASWGHVSMANDHCG-UWJYYQICSA-N 1 1 369.509 3.289 20 30 FGEDMO C[C@]1(C#N)CC[N@H+](CCCOc2cccc(I)c2)C1 ZINC000595838917 507708452 /nfs/dbraw/zinc/70/84/52/507708452.db2.gz DTPDKOLWVUMFEW-OAHLLOKOSA-N 1 1 370.234 3.296 20 30 FGEDMO C[C@]1(C#N)CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000595838917 507708461 /nfs/dbraw/zinc/70/84/61/507708461.db2.gz DTPDKOLWVUMFEW-OAHLLOKOSA-N 1 1 370.234 3.296 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H]4COC[C@H]4C3)sc2C1 ZINC000595836598 507708508 /nfs/dbraw/zinc/70/85/08/507708508.db2.gz WYCLQRNNAIOYBW-QLFBSQMISA-N 1 1 373.522 3.041 20 30 FGEDMO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C[C@@H](C)CCC#N ZINC000602436026 507711726 /nfs/dbraw/zinc/71/17/26/507711726.db2.gz XSPGVXQMFDLFQG-ZDUSSCGKSA-N 1 1 358.442 3.114 20 30 FGEDMO Cc1ccc(NCc2cccc(C#N)n2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000602491972 507725883 /nfs/dbraw/zinc/72/58/83/507725883.db2.gz JZJZCGRFQSHQGT-UHFFFAOYSA-N 1 1 363.465 3.298 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)N(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592695343 507767002 /nfs/dbraw/zinc/76/70/02/507767002.db2.gz ZUPCRXKUQDQFIL-FQEVSTJZSA-N 1 1 362.477 3.387 20 30 FGEDMO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000736817759 599233480 /nfs/dbraw/zinc/23/34/80/599233480.db2.gz IZYUNNATLHOYHC-UHFFFAOYSA-N 1 1 368.828 3.054 20 30 FGEDMO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000736817759 599233481 /nfs/dbraw/zinc/23/34/81/599233481.db2.gz IZYUNNATLHOYHC-UHFFFAOYSA-N 1 1 368.828 3.054 20 30 FGEDMO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1C#N ZINC000735874052 598683072 /nfs/dbraw/zinc/68/30/72/598683072.db2.gz LUEIPADWEJIOKJ-UHFFFAOYSA-N 1 1 350.401 3.288 20 30 FGEDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(F)cc1C#N ZINC000735874052 598683073 /nfs/dbraw/zinc/68/30/73/598683073.db2.gz LUEIPADWEJIOKJ-UHFFFAOYSA-N 1 1 350.401 3.288 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)c1cccc(Cl)c1 ZINC000819745888 599566160 /nfs/dbraw/zinc/56/61/60/599566160.db2.gz SXPRNIIPFSRROW-SFHVURJKSA-N 1 1 369.856 3.242 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000822801693 607071080 /nfs/dbraw/zinc/07/10/80/607071080.db2.gz MOISLSCYCAGOGH-RBUKOAKNSA-N 1 1 362.412 3.278 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000822801693 607071082 /nfs/dbraw/zinc/07/10/82/607071082.db2.gz MOISLSCYCAGOGH-RBUKOAKNSA-N 1 1 362.412 3.278 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=S)Nc3ccccc3)CC2)cc1 ZINC000017517637 695634551 /nfs/dbraw/zinc/63/45/51/695634551.db2.gz SKKWCIJGMOFNMR-UHFFFAOYSA-N 1 1 350.491 3.463 20 30 FGEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000093771109 700454255 /nfs/dbraw/zinc/45/42/55/700454255.db2.gz JKXJZSGDZHMMNL-INIZCTEOSA-N 1 1 354.416 3.405 20 30 FGEDMO C[C@H](c1nn(CN(C)CC#N)c(=S)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000101536643 700467504 /nfs/dbraw/zinc/46/75/04/700467504.db2.gz FFZVCYVXMVXGFO-GFCCVEGCSA-N 1 1 364.906 3.092 20 30 FGEDMO Oc1ccc2ccccc2c1/C=N/C[C@]1([NH+]2CCOCC2)CCSC1 ZINC000122560491 700691904 /nfs/dbraw/zinc/69/19/04/700691904.db2.gz ZOJBWMQOKXZHIV-TTYLXTBDSA-N 1 1 356.491 3.172 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCCO1 ZINC000170772827 705361072 /nfs/dbraw/zinc/36/10/72/705361072.db2.gz BOILXHPDXMTSOR-CQSZACIVSA-N 1 1 361.511 3.328 20 30 FGEDMO CN1CC[C@H](CNC(=[NH2+])NC2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262049701 713717776 /nfs/dbraw/zinc/71/77/76/713717776.db2.gz VOAMXVHIJMLHNZ-DYVFJYSZSA-N 1 1 352.885 3.319 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC2(CCO2)CC1 ZINC000374376291 713917963 /nfs/dbraw/zinc/91/79/63/713917963.db2.gz CWHOVXBJSIASSE-OAHLLOKOSA-N 1 1 359.495 3.274 20 30 FGEDMO CC(C)[N@H+]1CCc2nc(CNCc3ccc(OCC#N)cc3)sc2C1 ZINC000374601169 713933634 /nfs/dbraw/zinc/93/36/34/713933634.db2.gz FBDWMRGGASUBSH-UHFFFAOYSA-N 1 1 356.495 3.102 20 30 FGEDMO COc1csc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000374900739 713952264 /nfs/dbraw/zinc/95/22/64/713952264.db2.gz VPSSFNVZQBYQFS-UHFFFAOYSA-N 1 1 355.463 3.045 20 30 FGEDMO COCC[C@H]1CCCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000375105115 713967632 /nfs/dbraw/zinc/96/76/32/713967632.db2.gz KOEWYPBRISZEJT-MRXNPFEDSA-N 1 1 361.511 3.379 20 30 FGEDMO CC(C)C[N@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000521822440 714150047 /nfs/dbraw/zinc/15/00/47/714150047.db2.gz PQCOVPONXCTNJH-UHFFFAOYSA-N 1 1 356.491 3.490 20 30 FGEDMO CC(C)C[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000521822440 714150051 /nfs/dbraw/zinc/15/00/51/714150051.db2.gz PQCOVPONXCTNJH-UHFFFAOYSA-N 1 1 356.491 3.490 20 30 FGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000522833343 714207608 /nfs/dbraw/zinc/20/76/08/714207608.db2.gz XVFGJDRNKJKPRI-MRXNPFEDSA-N 1 1 353.388 3.179 20 30 FGEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000523008230 714216332 /nfs/dbraw/zinc/21/63/32/714216332.db2.gz LFFUCXAFPNFOLN-OAHLLOKOSA-N 1 1 355.869 3.391 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC000616783024 714598662 /nfs/dbraw/zinc/59/86/62/714598662.db2.gz BYFFXLQOBOBJDM-IBGZPJMESA-N 1 1 356.853 3.204 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC000616783024 714598666 /nfs/dbraw/zinc/59/86/66/714598666.db2.gz BYFFXLQOBOBJDM-IBGZPJMESA-N 1 1 356.853 3.204 20 30 FGEDMO CC[N@H+]1CCN(c2c(C#N)cnc3c(Br)cccc32)C[C@@H]1C ZINC000619651344 714859270 /nfs/dbraw/zinc/85/92/70/714859270.db2.gz LBPMMKMNIQBTJV-LBPRGKRZSA-N 1 1 359.271 3.399 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(C(=O)N(CC)CC)CC1 ZINC000779155419 724396342 /nfs/dbraw/zinc/39/63/42/724396342.db2.gz WLLCLRCNEFTKHB-UHFFFAOYSA-N 1 1 362.901 3.432 20 30 FGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)C1 ZINC000625703211 715775591 /nfs/dbraw/zinc/77/55/91/715775591.db2.gz RIRSXVMBLYLRCP-INIZCTEOSA-N 1 1 362.543 3.212 20 30 FGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)C1 ZINC000625703211 715775597 /nfs/dbraw/zinc/77/55/97/715775597.db2.gz RIRSXVMBLYLRCP-INIZCTEOSA-N 1 1 362.543 3.212 20 30 FGEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000799125715 723989632 /nfs/dbraw/zinc/98/96/32/723989632.db2.gz KWJMZYGZGQWYMP-MRXNPFEDSA-N 1 1 351.491 3.028 20 30 FGEDMO CCCC[C@H](ON=C(C)C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000780982117 724518992 /nfs/dbraw/zinc/51/89/92/724518992.db2.gz RYCHJMCGTVDOFX-INIZCTEOSA-N 1 1 351.516 3.194 20 30 FGEDMO CCCC[C@H](ON=C(C)C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000780982117 724518995 /nfs/dbraw/zinc/51/89/95/724518995.db2.gz RYCHJMCGTVDOFX-INIZCTEOSA-N 1 1 351.516 3.194 20 30 FGEDMO N#Cc1nc(Cl)cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629818 719064664 /nfs/dbraw/zinc/06/46/64/719064664.db2.gz ZGUXFIRWKOGTRH-WBVHZDCISA-N 1 1 353.857 3.102 20 30 FGEDMO N#Cc1cc2c(nc1N1CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCOC2 ZINC001164629964 719106103 /nfs/dbraw/zinc/10/61/03/719106103.db2.gz UVSNFFUDOAJLPX-XMSQKQJNSA-N 1 1 374.488 3.127 20 30 FGEDMO C#C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000804950067 724568288 /nfs/dbraw/zinc/56/82/88/724568288.db2.gz MJRLSSPDSZTRRN-DYVFJYSZSA-N 1 1 351.853 3.185 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001164638057 719204211 /nfs/dbraw/zinc/20/42/11/719204211.db2.gz MYNLADMPOFZHKA-NWDGAFQWSA-N 1 1 359.836 3.337 20 30 FGEDMO C#CCNC(=S)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000782211158 724639107 /nfs/dbraw/zinc/63/91/07/724639107.db2.gz XUTWHJXTRYNHTD-HZPDHXFCSA-N 1 1 367.921 3.490 20 30 FGEDMO C#CCNC(=S)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000782211158 724639110 /nfs/dbraw/zinc/63/91/10/724639110.db2.gz XUTWHJXTRYNHTD-HZPDHXFCSA-N 1 1 367.921 3.490 20 30 FGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cc(C)c1C#N)C2 ZINC001164810366 720075602 /nfs/dbraw/zinc/07/56/02/720075602.db2.gz LGRRCXSGJUKQMK-OXJNMPFZSA-N 1 1 374.916 3.100 20 30 FGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C)c(C#N)cc1Cl)C2 ZINC001164814690 720198909 /nfs/dbraw/zinc/19/89/09/720198909.db2.gz WOAGGOPVGBQJDU-FXAWDEMLSA-N 1 1 374.916 3.100 20 30 FGEDMO C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000665391035 720764164 /nfs/dbraw/zinc/76/41/64/720764164.db2.gz VFKJUALADFJXCJ-ZWKOTPCHSA-N 1 1 351.535 3.121 20 30 FGEDMO N#Cc1cc(Cl)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909846 721547999 /nfs/dbraw/zinc/54/79/99/721547999.db2.gz SBYPCNODNAQPJW-WMZOPIPTSA-N 1 1 372.831 3.088 20 30 FGEDMO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1c(C)n[nH]c1C(F)(F)F)C(C)C ZINC000673741033 721671290 /nfs/dbraw/zinc/67/12/90/721671290.db2.gz PWRREQQYHAUGTI-ZDUSSCGKSA-N 1 1 358.408 3.165 20 30 FGEDMO N#Cc1cnc(Cl)cc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955014 722013296 /nfs/dbraw/zinc/01/32/96/722013296.db2.gz REOPCLLGIQNQQF-UHFFFAOYSA-N 1 1 367.884 3.494 20 30 FGEDMO N#Cc1ccnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1F ZINC001164996746 722199787 /nfs/dbraw/zinc/19/97/87/722199787.db2.gz WGIRZDBRFQVOSE-FQEVSTJZSA-N 1 1 354.404 3.476 20 30 FGEDMO Cc1nc(C#N)cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)n1 ZINC001164995798 722212694 /nfs/dbraw/zinc/21/26/94/722212694.db2.gz KSEOYYRGYSIAKU-HXUWFJFHSA-N 1 1 351.429 3.041 20 30 FGEDMO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309582 722514896 /nfs/dbraw/zinc/51/48/96/722514896.db2.gz JAZPYOXDSDWGIR-OAHLLOKOSA-N 1 1 363.889 3.371 20 30 FGEDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735309582 722514897 /nfs/dbraw/zinc/51/48/97/722514897.db2.gz JAZPYOXDSDWGIR-OAHLLOKOSA-N 1 1 363.889 3.371 20 30 FGEDMO CC(C)[N@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCOCC1 ZINC000740886525 722539172 /nfs/dbraw/zinc/53/91/72/722539172.db2.gz SNSYHQJHCFMPBZ-HNNXBMFYSA-N 1 1 357.479 3.362 20 30 FGEDMO CC(C)[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCOCC1 ZINC000740886525 722539173 /nfs/dbraw/zinc/53/91/73/722539173.db2.gz SNSYHQJHCFMPBZ-HNNXBMFYSA-N 1 1 357.479 3.362 20 30 FGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2nc3ccccc3c(=O)n2CC#N)C1 ZINC000744423891 722576778 /nfs/dbraw/zinc/57/67/78/722576778.db2.gz PPRJINOJGGCJRG-LSDHHAIUSA-N 1 1 356.495 3.026 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000747824802 722662216 /nfs/dbraw/zinc/66/22/16/722662216.db2.gz SPGMMXCKWDLLGQ-UHFFFAOYSA-N 1 1 353.491 3.080 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000751902230 722833915 /nfs/dbraw/zinc/83/39/15/722833915.db2.gz QNRPNDFZEMYXGE-CEXWTWQISA-N 1 1 356.539 3.117 20 30 FGEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CCO2)c1 ZINC000753550330 722904147 /nfs/dbraw/zinc/90/41/47/722904147.db2.gz WFCGVWAFMONHKV-IBGZPJMESA-N 1 1 350.447 3.379 20 30 FGEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CCO2)c1 ZINC000753550330 722904148 /nfs/dbraw/zinc/90/41/48/722904148.db2.gz WFCGVWAFMONHKV-IBGZPJMESA-N 1 1 350.447 3.379 20 30 FGEDMO Clc1ccc(Br)c(C=NNC2=[NH+][C@H]3CCCC[C@H]3N2)c1 ZINC000753933258 722919000 /nfs/dbraw/zinc/91/90/00/722919000.db2.gz DOUAPYNSBRLGQC-BETUJISGSA-N 1 1 355.667 3.296 20 30 FGEDMO COc1ccc(-c2nc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)cs2)cc1 ZINC000753937392 722919132 /nfs/dbraw/zinc/91/91/32/722919132.db2.gz DHDPCHTTWADPMS-HOTGVXAUSA-N 1 1 355.467 3.013 20 30 FGEDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000754705895 722944737 /nfs/dbraw/zinc/94/47/37/722944737.db2.gz ZNFSKLCDFDHRIW-CYBMUJFWSA-N 1 1 371.487 3.292 20 30 FGEDMO C[C@H]1C[N@@H+](C2CC2)CC1=NNC(=S)Nc1cccc(Br)c1 ZINC000755892485 722958071 /nfs/dbraw/zinc/95/80/71/722958071.db2.gz OZYFRSYYYWLNDX-JTQLQIEISA-N 1 1 367.316 3.206 20 30 FGEDMO C[C@H]1C[N@H+](C2CC2)CC1=NNC(=S)Nc1cccc(Br)c1 ZINC000755892485 722958072 /nfs/dbraw/zinc/95/80/72/722958072.db2.gz OZYFRSYYYWLNDX-JTQLQIEISA-N 1 1 367.316 3.206 20 30 FGEDMO Cc1ccc(-n2c(Cl)c(C=[NH+]NC3CCOCC3)nc2N(C)C)cc1 ZINC000757592981 722977302 /nfs/dbraw/zinc/97/73/02/722977302.db2.gz OSHOUIAKJDBDQX-UHFFFAOYSA-N 1 1 361.877 3.003 20 30 FGEDMO CC1(C)CC(=NNC(=S)Nc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000761252654 723137590 /nfs/dbraw/zinc/13/75/90/723137590.db2.gz KSSNWYGTCATKGQ-UHFFFAOYSA-N 1 1 353.495 3.409 20 30 FGEDMO CC1(C)CC(=NNC(=S)Nc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000761252654 723137592 /nfs/dbraw/zinc/13/75/92/723137592.db2.gz KSSNWYGTCATKGQ-UHFFFAOYSA-N 1 1 353.495 3.409 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000793181894 723407894 /nfs/dbraw/zinc/40/78/94/723407894.db2.gz KWYRYPLSSWYXDY-SFHVURJKSA-N 1 1 359.857 3.021 20 30 FGEDMO FC(F)(F)COCCNN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000765600829 723526721 /nfs/dbraw/zinc/52/67/21/723526721.db2.gz SQSZRRHYCIDYBF-CALCHBBNSA-N 1 1 355.404 3.338 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000794659553 723538920 /nfs/dbraw/zinc/53/89/20/723538920.db2.gz FGLFFQWUBYQEQP-KXBFYZLASA-N 1 1 359.495 3.152 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000794659553 723538922 /nfs/dbraw/zinc/53/89/22/723538922.db2.gz FGLFFQWUBYQEQP-KXBFYZLASA-N 1 1 359.495 3.152 20 30 FGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000767900666 723638665 /nfs/dbraw/zinc/63/86/65/723638665.db2.gz SJJITZLZKOBCBZ-HNNXBMFYSA-N 1 1 353.388 3.083 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000770687993 723719053 /nfs/dbraw/zinc/71/90/53/723719053.db2.gz LTJNHGKGEYATSQ-CRAIPNDOSA-N 1 1 357.479 3.015 20 30 FGEDMO FC(F)(F)c1ccc(C2CC(=NNCCC[NH+]3CCOCC3)C2)cc1 ZINC000799487039 724034328 /nfs/dbraw/zinc/03/43/28/724034328.db2.gz ZWGWGBDXHYQSTB-UHFFFAOYSA-N 1 1 355.404 3.251 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000799513081 724037749 /nfs/dbraw/zinc/03/77/49/724037749.db2.gz YYMBQOZHOYPWNR-CYBMUJFWSA-N 1 1 372.416 3.228 20 30 FGEDMO C#CCNC(=S)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000776728414 724174595 /nfs/dbraw/zinc/17/45/95/724174595.db2.gz CYBSQXIYERHMCF-JKSUJKDBSA-N 1 1 353.894 3.100 20 30 FGEDMO C#CCNC(=S)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000776728414 724174598 /nfs/dbraw/zinc/17/45/98/724174598.db2.gz CYBSQXIYERHMCF-JKSUJKDBSA-N 1 1 353.894 3.100 20 30 FGEDMO Brc1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c2ncccc12 ZINC000777886920 724267947 /nfs/dbraw/zinc/26/79/47/724267947.db2.gz ASZFCJLFKQRHMQ-GJZGRUSLSA-N 1 1 372.270 3.191 20 30 FGEDMO CC(N=Nc1cc(Cl)ccn1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000777907593 724269719 /nfs/dbraw/zinc/26/97/19/724269719.db2.gz YMFVKAIRPNNWPF-UHFFFAOYSA-N 1 1 360.845 3.109 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]CC(C)(C)N1CCC(OC)CC1 ZINC000778167534 724305929 /nfs/dbraw/zinc/30/59/29/724305929.db2.gz KDINXIRRCQDDSG-UHFFFAOYSA-N 1 1 364.917 3.331 20 30 FGEDMO C[C@@H](C#N)OCCN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000801938118 724348212 /nfs/dbraw/zinc/34/82/12/724348212.db2.gz CLAKMUIFTGRTQQ-KSSFIOAISA-N 1 1 351.441 3.399 20 30 FGEDMO C#C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)c1ccc(Cl)cc1F ZINC000805078432 725048527 /nfs/dbraw/zinc/04/85/27/725048527.db2.gz BCZDEMCNKUWZES-QGZVFWFLSA-N 1 1 351.853 3.327 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1(c2ccccc2Br)CC1 ZINC000789365105 725124300 /nfs/dbraw/zinc/12/43/00/725124300.db2.gz AKDQMGZRANICEN-AWEZNQCLSA-N 1 1 362.267 3.122 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ncccc1N(C)C ZINC000810167933 725294295 /nfs/dbraw/zinc/29/42/95/725294295.db2.gz RFBUNJVNNWUZMN-UHFFFAOYSA-N 1 1 374.282 3.212 20 30 FGEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000810784699 725327581 /nfs/dbraw/zinc/32/75/81/725327581.db2.gz MRFWMRAGGZRLAI-CTNGQTDRSA-N 1 1 352.865 3.425 20 30 FGEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000810784699 725327583 /nfs/dbraw/zinc/32/75/83/725327583.db2.gz MRFWMRAGGZRLAI-CTNGQTDRSA-N 1 1 352.865 3.425 20 30 FGEDMO C[C@@H]1C(=NNC(=S)Nc2cccnc2)CCC[N@H+]1Cc1ccccc1 ZINC000814721069 726995163 /nfs/dbraw/zinc/99/51/63/726995163.db2.gz VTTJMWYGEIVWOJ-OAHLLOKOSA-N 1 1 353.495 3.409 20 30 FGEDMO C[C@@H]1C(=NNC(=S)Nc2cccnc2)CCC[N@@H+]1Cc1ccccc1 ZINC000814721069 726995166 /nfs/dbraw/zinc/99/51/66/726995166.db2.gz VTTJMWYGEIVWOJ-OAHLLOKOSA-N 1 1 353.495 3.409 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000818584749 727315114 /nfs/dbraw/zinc/31/51/14/727315114.db2.gz XABILAPEQMMEMT-UHFFFAOYSA-N 1 1 353.447 3.241 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)CCCCc1ccc(Br)cc1 ZINC000818595973 727315792 /nfs/dbraw/zinc/31/57/92/727315792.db2.gz XLSNLVQMMMEEGX-UHFFFAOYSA-N 1 1 365.315 3.233 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)s1 ZINC000819234226 727360463 /nfs/dbraw/zinc/36/04/63/727360463.db2.gz FBWYFGFILWRQGC-LLVKDONJSA-N 1 1 373.975 3.438 20 30 FGEDMO CC(C)C#CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000820113943 728967900 /nfs/dbraw/zinc/96/79/00/728967900.db2.gz DJAZYCUTKDDUOK-UHFFFAOYSA-N 1 1 352.400 3.399 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642633 729295252 /nfs/dbraw/zinc/29/52/52/729295252.db2.gz HTKGGWSSYRTTOQ-IRXDYDNUSA-N 1 1 352.519 3.425 20 30 FGEDMO Cc1ccccc1[C@@H]1CN(C(=O)c2ccccc2SCC#N)CC[NH2+]1 ZINC000825190870 729374185 /nfs/dbraw/zinc/37/41/85/729374185.db2.gz YDFUDDUUDWBEHB-SFHVURJKSA-N 1 1 351.475 3.397 20 30 FGEDMO O=C(N1C[C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C[C@@H]2C1)C(F)(F)F ZINC000831573185 729652428 /nfs/dbraw/zinc/65/24/28/729652428.db2.gz YFLUYTOHNZWBOC-HUUCEWRRSA-N 1 1 370.802 3.034 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C2/COc3c(Cl)ccc(Cl)c3C2=O)n1C ZINC000840717761 730165487 /nfs/dbraw/zinc/16/54/87/730165487.db2.gz STFSFXQEXCZCQS-TWGQIWQCSA-N 1 1 352.221 3.452 20 30 FGEDMO C#CC[C@@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000842628710 730521596 /nfs/dbraw/zinc/52/15/96/730521596.db2.gz FBGYAIZGALFANY-LLVKDONJSA-N 1 1 367.218 3.189 20 30 FGEDMO C#CC[C@@H]1CCC[N@H+](Cn2c(=O)oc3cc(Br)c(F)cc32)C1 ZINC000842628710 730521598 /nfs/dbraw/zinc/52/15/98/730521598.db2.gz FBGYAIZGALFANY-LLVKDONJSA-N 1 1 367.218 3.189 20 30 FGEDMO Cn1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(-c2cccs2)n1 ZINC000846006013 730917784 /nfs/dbraw/zinc/91/77/84/730917784.db2.gz FPZQYLJWNNHRHU-QGZVFWFLSA-N 1 1 352.463 3.186 20 30 FGEDMO C#Cc1cncc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000846101319 730929162 /nfs/dbraw/zinc/92/91/62/730929162.db2.gz ICLZUPDHUBTWBU-KRWDZBQOSA-N 1 1 353.491 3.027 20 30 FGEDMO C#C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000847029579 731009124 /nfs/dbraw/zinc/00/91/24/731009124.db2.gz KSZMSHBVWJNVSA-HUUCEWRRSA-N 1 1 355.507 3.418 20 30 FGEDMO C[C@H]1C(N=Nc2ncc(Br)cn2)CC[N@H+]1Cc1ccccc1 ZINC000848420074 731162287 /nfs/dbraw/zinc/16/22/87/731162287.db2.gz OKYOYWFEQDVCFM-LBPRGKRZSA-N 1 1 360.259 3.301 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000852346386 731573344 /nfs/dbraw/zinc/57/33/44/731573344.db2.gz FTYWWTLUOIPLKQ-LPHOPBHVSA-N 1 1 359.901 3.436 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl)C(=O)NC1(C#N)CCC1 ZINC000856779463 732059740 /nfs/dbraw/zinc/05/97/40/732059740.db2.gz YVSYRVPAPUQLNS-VHSXEESVSA-N 1 1 374.794 3.355 20 30 FGEDMO C[NH+]1CCN(N=Cc2c(F)ccc(C(F)(F)F)c2Br)CC1 ZINC000863064320 732912727 /nfs/dbraw/zinc/91/27/27/732912727.db2.gz HGBANFUVJFDYPI-UHFFFAOYSA-N 1 1 368.172 3.188 20 30 FGEDMO C[N@@H+]1CCC(=NN[C@H]2CCCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000863108192 732915455 /nfs/dbraw/zinc/91/54/55/732915455.db2.gz IMIYJKHEYWTBHT-IRXDYDNUSA-N 1 1 366.303 3.340 20 30 FGEDMO C[N@H+]1CCC(=NN[C@H]2CCCOC2)C[C@H]1c1ccc(Br)cc1 ZINC000863108192 732915458 /nfs/dbraw/zinc/91/54/58/732915458.db2.gz IMIYJKHEYWTBHT-IRXDYDNUSA-N 1 1 366.303 3.340 20 30 FGEDMO Cn1cc(N=NC2CC[N@H+](C)[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000863110293 732915505 /nfs/dbraw/zinc/91/55/05/732915505.db2.gz OAYUOBFLFDUJSS-MRXNPFEDSA-N 1 1 362.275 3.417 20 30 FGEDMO Cn1cc(N=NC2CC[N@@H+](C)[C@@H](c3ccc(Br)cc3)C2)cn1 ZINC000863110293 732915506 /nfs/dbraw/zinc/91/55/06/732915506.db2.gz OAYUOBFLFDUJSS-MRXNPFEDSA-N 1 1 362.275 3.417 20 30 FGEDMO N#CCc1ccsc1C(=O)OCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000870043962 733805858 /nfs/dbraw/zinc/80/58/58/733805858.db2.gz LYXLWHGIFCFIGM-UHFFFAOYSA-N 1 1 356.447 3.003 20 30 FGEDMO N#CC1(C[C@H](O)C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC1 ZINC000885965616 739204007 /nfs/dbraw/zinc/20/40/07/739204007.db2.gz PTBUKHPRKCECCO-TUAOUCFPSA-N 1 1 358.326 3.494 20 30 FGEDMO Cc1sc(NC(=O)C[N@@H+](C)[C@H](CO)c2ccccc2C)c(C#N)c1C ZINC000886435842 739258877 /nfs/dbraw/zinc/25/88/77/739258877.db2.gz KJXMJXXTNRGFAD-QGZVFWFLSA-N 1 1 357.479 3.149 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H](CO)c2ccccc2C)c(C#N)c1C ZINC000886435842 739258880 /nfs/dbraw/zinc/25/88/80/739258880.db2.gz KJXMJXXTNRGFAD-QGZVFWFLSA-N 1 1 357.479 3.149 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(SC)c(C#N)c2)C[C@H]1C ZINC000890452000 739800929 /nfs/dbraw/zinc/80/09/29/739800929.db2.gz HMCHZXRBUBMUSE-PBHICJAKSA-N 1 1 360.527 3.294 20 30 FGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(SC)c(C#N)c1 ZINC000890452946 739801429 /nfs/dbraw/zinc/80/14/29/739801429.db2.gz XTZLFOOJENOYRO-SJORKVTESA-N 1 1 358.511 3.048 20 30 FGEDMO CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000892910006 740056926 /nfs/dbraw/zinc/05/69/26/740056926.db2.gz CBGXMPZSOXXWPI-UHFFFAOYSA-N 1 1 352.335 3.467 20 30 FGEDMO C[C@H]([NH2+]Cc1sc(N2CCOCC2)nc1Cl)c1ccc(C#N)cc1 ZINC000894166788 742247474 /nfs/dbraw/zinc/24/74/74/742247474.db2.gz ZWKLWAAGQYFYDI-LBPRGKRZSA-N 1 1 362.886 3.356 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC(F)(C(F)(F)F)C(F)(F)F ZINC000899097178 742870984 /nfs/dbraw/zinc/87/09/84/742870984.db2.gz ODGVRQWHFGNTQU-SECBINFHSA-N 1 1 352.294 3.200 20 30 FGEDMO C=CCC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)[C@@]1(C)CCCCO1 ZINC000902808502 743777295 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3.152 20 30 FGEDMO C[NH+]1CCN(N=Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000916247986 758057257 /nfs/dbraw/zinc/05/72/57/758057257.db2.gz CGINDMROYSHJMB-CYBMUJFWSA-N 1 1 369.309 3.140 20 30 FGEDMO C=CCCC[C@@H]1NC(=O)N(C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1=O ZINC000924699505 759372976 /nfs/dbraw/zinc/37/29/76/759372976.db2.gz FDEGIVDIZKVJNL-ZOBUZTSGSA-N 1 1 361.511 3.408 20 30 FGEDMO COC(=O)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@H]([C@H]2CCCO2)C1 ZINC000933178966 761333333 /nfs/dbraw/zinc/33/33/33/761333333.db2.gz FSVFROZLFYXPJR-NZSAHSFTSA-N 1 1 361.869 3.124 20 30 FGEDMO COC(=O)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]([C@H]2CCCO2)C1 ZINC000933178966 761333340 /nfs/dbraw/zinc/33/33/40/761333340.db2.gz FSVFROZLFYXPJR-NZSAHSFTSA-N 1 1 361.869 3.124 20 30 FGEDMO C#Cc1ccc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c(Cl)c1 ZINC000933361332 761370584 /nfs/dbraw/zinc/37/05/84/761370584.db2.gz FZKSBAIVMPWVJV-CQSZACIVSA-N 1 1 361.873 3.038 20 30 FGEDMO CN(C)C(=O)Sc1cccc(C[NH+]2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933651849 761446722 /nfs/dbraw/zinc/44/67/22/761446722.db2.gz OZULHZUOIDOWFF-UHFFFAOYSA-N 1 1 360.479 3.298 20 30 FGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1F ZINC000933712855 761461452 /nfs/dbraw/zinc/46/14/52/761461452.db2.gz MPEOKMPFTNRDPA-ZDUSSCGKSA-N 1 1 350.319 3.496 20 30 FGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1F ZINC000933712855 761461457 /nfs/dbraw/zinc/46/14/57/761461457.db2.gz MPEOKMPFTNRDPA-ZDUSSCGKSA-N 1 1 350.319 3.496 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(C#N)CCSCC1 ZINC000933813844 761479630 /nfs/dbraw/zinc/47/96/30/761479630.db2.gz GYXBQKXIUCYTHK-GOSISDBHSA-N 1 1 357.523 3.004 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCN1c1ccccc1 ZINC000934323363 761594662 /nfs/dbraw/zinc/59/46/62/761594662.db2.gz PCTCHZSCCKZRJW-HNNXBMFYSA-N 1 1 354.479 3.159 20 30 FGEDMO Cc1sc(NC(=O)C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c(C#N)c1C ZINC000934835003 761731735 /nfs/dbraw/zinc/73/17/35/761731735.db2.gz VHHIFIXSXRPPNU-JKSUJKDBSA-N 1 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/nfs/dbraw/zinc/81/91/40/494819140.db2.gz XKXDDCSUCVLUCV-GFCCVEGCSA-N 1 1 373.359 3.339 20 30 FGEDMO C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026330979 494819142 /nfs/dbraw/zinc/81/91/42/494819142.db2.gz XKXDDCSUCVLUCV-GFCCVEGCSA-N 1 1 373.359 3.339 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000026329637 494819292 /nfs/dbraw/zinc/81/92/92/494819292.db2.gz HSFOWHZQIJFMAC-UHFFFAOYSA-N 1 1 352.394 3.236 20 30 FGEDMO C[C@H]1C[N@H+](C2CCN(c3cc(C#N)ccc3C(F)(F)F)CC2)CCO1 ZINC000121728715 494846260 /nfs/dbraw/zinc/84/62/60/494846260.db2.gz PEJKZXXPYHNKBB-ZDUSSCGKSA-N 1 1 353.388 3.267 20 30 FGEDMO C[C@]1(CNCc2cnc3ccc(C#N)cn23)CCC[N@@H+]1Cc1ccccc1 ZINC000121805879 494863964 /nfs/dbraw/zinc/86/39/64/494863964.db2.gz SELHDHFPLPSXRQ-JOCHJYFZSA-N 1 1 359.477 3.350 20 30 FGEDMO C[C@]1(CNCc2cnc3ccc(C#N)cn23)CCC[N@H+]1Cc1ccccc1 ZINC000121805879 494863969 /nfs/dbraw/zinc/86/39/69/494863969.db2.gz SELHDHFPLPSXRQ-JOCHJYFZSA-N 1 1 359.477 3.350 20 30 FGEDMO CCC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000132450031 494875931 /nfs/dbraw/zinc/87/59/31/494875931.db2.gz LODRTBCUFHRDBG-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO CCC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1 ZINC000132450031 494875936 /nfs/dbraw/zinc/87/59/36/494875936.db2.gz LODRTBCUFHRDBG-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO C=CC[N@@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)Cc1ccccc1 ZINC000027776089 494885319 /nfs/dbraw/zinc/88/53/19/494885319.db2.gz KECZIDYGIQNIRK-UHFFFAOYSA-N 1 1 353.422 3.032 20 30 FGEDMO C=CC[N@H+](CC(=O)NC(=O)Nc1ccc(OC)cc1)Cc1ccccc1 ZINC000027776089 494885322 /nfs/dbraw/zinc/88/53/22/494885322.db2.gz KECZIDYGIQNIRK-UHFFFAOYSA-N 1 1 353.422 3.032 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000574335286 505750030 /nfs/dbraw/zinc/75/00/30/505750030.db2.gz JINBMPSHGAVWOA-UHFFFAOYSA-N 1 1 353.447 3.201 20 30 FGEDMO C[C@H](CNC(=O)CSc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000110351337 494972212 /nfs/dbraw/zinc/97/22/12/494972212.db2.gz ALUDVHFNRUYFOK-MRXNPFEDSA-N 1 1 353.491 3.287 20 30 FGEDMO C=CCCOCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000122432366 494974044 /nfs/dbraw/zinc/97/40/44/494974044.db2.gz DTDIMQOPAVJIPF-GOSISDBHSA-N 1 1 351.535 3.265 20 30 FGEDMO C=CCCOCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000122656626 495010964 /nfs/dbraw/zinc/01/09/64/495010964.db2.gz LHOGVVXVINOZSH-UYAOXDASSA-N 1 1 359.514 3.274 20 30 FGEDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)CC[N@H+]1C ZINC000122750999 495025355 /nfs/dbraw/zinc/02/53/55/495025355.db2.gz PQLSYKNGQGCKMB-DOTOQJQBSA-N 1 1 367.449 3.285 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000110998227 495029114 /nfs/dbraw/zinc/02/91/14/495029114.db2.gz JFVCZIVYWWJCGP-CQSZACIVSA-N 1 1 358.511 3.157 20 30 FGEDMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000122927379 495054201 /nfs/dbraw/zinc/05/42/01/495054201.db2.gz RCDWLQMZXVNDHZ-SFHVURJKSA-N 1 1 372.476 3.412 20 30 FGEDMO C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000122927379 495054204 /nfs/dbraw/zinc/05/42/04/495054204.db2.gz RCDWLQMZXVNDHZ-SFHVURJKSA-N 1 1 372.476 3.412 20 30 FGEDMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cccc(OC(F)(F)F)c1 ZINC000128196179 495059798 /nfs/dbraw/zinc/05/97/98/495059798.db2.gz IVJKKQADALJYRA-UHFFFAOYSA-N 1 1 369.387 3.360 20 30 FGEDMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1cccc(OC(F)(F)F)c1 ZINC000128196179 495059803 /nfs/dbraw/zinc/05/98/03/495059803.db2.gz IVJKKQADALJYRA-UHFFFAOYSA-N 1 1 369.387 3.360 20 30 FGEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)n1 ZINC000101545075 495074152 /nfs/dbraw/zinc/07/41/52/495074152.db2.gz QNJYGCHIMVVERQ-KRWDZBQOSA-N 1 1 373.460 3.365 20 30 FGEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)n1 ZINC000101545075 495074155 /nfs/dbraw/zinc/07/41/55/495074155.db2.gz QNJYGCHIMVVERQ-KRWDZBQOSA-N 1 1 373.460 3.365 20 30 FGEDMO C=CCC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000123064600 495075317 /nfs/dbraw/zinc/07/53/17/495075317.db2.gz NVJWWAISGYWUBR-CYBMUJFWSA-N 1 1 357.281 3.078 20 30 FGEDMO C=CCC(CC=C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000123094906 495080179 /nfs/dbraw/zinc/08/01/79/495080179.db2.gz IORMBQYRYVKQEG-NRFANRHFSA-N 1 1 355.526 3.250 20 30 FGEDMO C=CCC(CC=C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000123094906 495080180 /nfs/dbraw/zinc/08/01/80/495080180.db2.gz IORMBQYRYVKQEG-NRFANRHFSA-N 1 1 355.526 3.250 20 30 FGEDMO C=CCC(CC=C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000123094906 495080181 /nfs/dbraw/zinc/08/01/81/495080181.db2.gz IORMBQYRYVKQEG-NRFANRHFSA-N 1 1 355.526 3.250 20 30 FGEDMO C=C[C@H](C)NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000128443110 495097866 /nfs/dbraw/zinc/09/78/66/495097866.db2.gz POPMBILGVPLQER-HNNXBMFYSA-N 1 1 354.454 3.180 20 30 FGEDMO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000580445916 505761758 /nfs/dbraw/zinc/76/17/58/505761758.db2.gz MKAIIBLOUMSUBV-OALUTQOASA-N 1 1 361.449 3.279 20 30 FGEDMO C=CCOc1ccccc1CNc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000119430308 495165855 /nfs/dbraw/zinc/16/58/55/495165855.db2.gz GRTHHHMGTGGYAA-UHFFFAOYSA-N 1 1 358.405 3.387 20 30 FGEDMO COCC1CC[NH+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000112355711 495180253 /nfs/dbraw/zinc/18/02/53/495180253.db2.gz CDUVCXHMDLJHOH-OAHLLOKOSA-N 1 1 361.511 3.378 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123844625 495195961 /nfs/dbraw/zinc/19/59/61/495195961.db2.gz ZSULUJBEMDVIIC-ACJLOTCBSA-N 1 1 372.831 3.169 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C#N)c1C ZINC000134923882 495224925 /nfs/dbraw/zinc/22/49/25/495224925.db2.gz IOQLYZZURZTBFH-IDHHARJASA-N 1 1 370.497 3.044 20 30 FGEDMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCCN(c3ncccc3C#N)CC2)c1 ZINC000129664368 495277466 /nfs/dbraw/zinc/27/74/66/495277466.db2.gz QOEPHBQJHDGCKL-UHFFFAOYSA-N 1 1 372.476 3.364 20 30 FGEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000577670873 505772258 /nfs/dbraw/zinc/77/22/58/505772258.db2.gz CZAPEDIFLHJKGU-OAHLLOKOSA-N 1 1 355.438 3.189 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2CSC)cc1 ZINC000135435174 495291697 /nfs/dbraw/zinc/29/16/97/495291697.db2.gz KHEUPTKPYQBERD-QGZVFWFLSA-N 1 1 361.511 3.159 20 30 FGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)NCCC3=CCCCC3)CC2)c1 ZINC000104714797 495300086 /nfs/dbraw/zinc/30/00/86/495300086.db2.gz MMWQXHYLSRELHO-UHFFFAOYSA-N 1 1 367.493 3.408 20 30 FGEDMO CC(C)CN(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CC1 ZINC000104716574 495300413 /nfs/dbraw/zinc/30/04/13/495300413.db2.gz WHQSKRICKLQXPM-UHFFFAOYSA-N 1 1 355.482 3.048 20 30 FGEDMO C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715838 495300583 /nfs/dbraw/zinc/30/05/83/495300583.db2.gz LRLJSBVSIHVYLO-INIZCTEOSA-N 1 1 355.482 3.239 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000124669874 495326050 /nfs/dbraw/zinc/32/60/50/495326050.db2.gz UZUNAAFSKQGHFM-UHFFFAOYSA-N 1 1 361.445 3.057 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000114468041 495378834 /nfs/dbraw/zinc/37/88/34/495378834.db2.gz QAZCLMJITZOXDK-SFHVURJKSA-N 1 1 369.490 3.320 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000125263250 495415640 /nfs/dbraw/zinc/41/56/40/495415640.db2.gz UZIXVTFVGKTPPT-QGZVFWFLSA-N 1 1 364.449 3.121 20 30 FGEDMO C=C(C)C[NH+]1CCC(NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000106246361 495439646 /nfs/dbraw/zinc/43/96/46/495439646.db2.gz QRWWTKSGJREURM-UHFFFAOYSA-N 1 1 367.287 3.308 20 30 FGEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000106269111 495441882 /nfs/dbraw/zinc/44/18/82/495441882.db2.gz LUEPHJDXJVJOIO-LJQANCHMSA-N 1 1 374.529 3.065 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCOc1cccc(Cl)c1 ZINC000137604595 495446957 /nfs/dbraw/zinc/44/69/57/495446957.db2.gz LFHYRQXAEKHXCW-HNNXBMFYSA-N 1 1 363.889 3.382 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000137604595 495446958 /nfs/dbraw/zinc/44/69/58/495446958.db2.gz LFHYRQXAEKHXCW-HNNXBMFYSA-N 1 1 363.889 3.382 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)COC)cc1OC ZINC000179370129 495564652 /nfs/dbraw/zinc/56/46/52/495564652.db2.gz YVLOVIQMYYWQLA-LBPRGKRZSA-N 1 1 358.276 3.489 20 30 FGEDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000185465849 495586754 /nfs/dbraw/zinc/58/67/54/495586754.db2.gz HZHAPWZRESSHKF-INIZCTEOSA-N 1 1 368.506 3.327 20 30 FGEDMO CCOC[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000176321660 495599055 /nfs/dbraw/zinc/59/90/55/495599055.db2.gz WZLFVROKVVIEHZ-OALUTQOASA-N 1 1 357.498 3.297 20 30 FGEDMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c(C)o1 ZINC000170776116 495600629 /nfs/dbraw/zinc/60/06/29/495600629.db2.gz OOBVWQRKHLCDRI-UHFFFAOYSA-N 1 1 355.413 3.302 20 30 FGEDMO C[C@@H]1C[NH+](Cc2cccc(Nc3nccc(C#N)c3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000150876073 495664925 /nfs/dbraw/zinc/66/49/25/495664925.db2.gz CHRSOLMSCYDMPM-ZIAGYGMSSA-N 1 1 367.409 3.214 20 30 FGEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000171034269 495697703 /nfs/dbraw/zinc/69/77/03/495697703.db2.gz PVDMICXOIBCPID-CQSZACIVSA-N 1 1 355.404 3.086 20 30 FGEDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 ZINC000173913545 495744460 /nfs/dbraw/zinc/74/44/60/495744460.db2.gz AYNNMBVQAJFZKK-IRXDYDNUSA-N 1 1 374.554 3.150 20 30 FGEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000159645520 495777022 /nfs/dbraw/zinc/77/70/22/495777022.db2.gz JRJSWQCQTVHTEA-OXJNMPFZSA-N 1 1 363.461 3.223 20 30 FGEDMO C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000171304786 495813239 /nfs/dbraw/zinc/81/32/39/495813239.db2.gz RTUAJZGHUCREBZ-SJORKVTESA-N 1 1 354.498 3.353 20 30 FGEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](Nc4ccccc4)C3)C2=O)cc1 ZINC000155083615 495829985 /nfs/dbraw/zinc/82/99/85/495829985.db2.gz RVFHCTMOJWCIOP-TZIWHRDSSA-N 1 1 360.461 3.240 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)N(C)Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000159955907 495849024 /nfs/dbraw/zinc/84/90/24/495849024.db2.gz XZUSVWQYFYTKFT-LAUBAEHRSA-N 1 1 362.477 3.363 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000151738051 495933119 /nfs/dbraw/zinc/93/31/19/495933119.db2.gz FTYZDRRZFIZOTF-QGZVFWFLSA-N 1 1 357.498 3.486 20 30 FGEDMO CCC[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)OC(C)(C)C ZINC000186320329 495946055 /nfs/dbraw/zinc/94/60/55/495946055.db2.gz CNMYSOWHBBENHR-UHFFFAOYSA-N 1 1 351.472 3.002 20 30 FGEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)OC(C)(C)C ZINC000186320329 495946062 /nfs/dbraw/zinc/94/60/62/495946062.db2.gz CNMYSOWHBBENHR-UHFFFAOYSA-N 1 1 351.472 3.002 20 30 FGEDMO Cn1cc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000183377165 495954533 /nfs/dbraw/zinc/95/45/33/495954533.db2.gz VVBUFZHOVNYYTJ-QFIPXVFZSA-N 1 1 371.488 3.470 20 30 FGEDMO Cc1csc([C@@H]([NH2+]CC(=O)N(CCC#N)c2ccccc2)C2CC2)n1 ZINC000183531505 496020366 /nfs/dbraw/zinc/02/03/66/496020366.db2.gz KKRUOHAZPBOSIK-SFHVURJKSA-N 1 1 354.479 3.439 20 30 FGEDMO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180539215 496036354 /nfs/dbraw/zinc/03/63/54/496036354.db2.gz ZYXZCEKFQMENIS-LQWHRVPQSA-N 1 1 359.514 3.377 20 30 FGEDMO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180539215 496036360 /nfs/dbraw/zinc/03/63/60/496036360.db2.gz ZYXZCEKFQMENIS-LQWHRVPQSA-N 1 1 359.514 3.377 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180539215 496036363 /nfs/dbraw/zinc/03/63/63/496036363.db2.gz ZYXZCEKFQMENIS-LQWHRVPQSA-N 1 1 359.514 3.377 20 30 FGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000160960563 496076099 /nfs/dbraw/zinc/07/60/99/496076099.db2.gz FZIKISDOUOJJEK-MRXNPFEDSA-N 1 1 351.425 3.339 20 30 FGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000160960563 496076100 /nfs/dbraw/zinc/07/61/00/496076100.db2.gz FZIKISDOUOJJEK-MRXNPFEDSA-N 1 1 351.425 3.339 20 30 FGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186670105 496100249 /nfs/dbraw/zinc/10/02/49/496100249.db2.gz NQVBGPSGSCUULD-LJQANCHMSA-N 1 1 353.447 3.080 20 30 FGEDMO C[C@H](CN1CCCCCC1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000186737823 496129260 /nfs/dbraw/zinc/12/92/60/496129260.db2.gz QLVVDXHXTGKRLZ-LJQANCHMSA-N 1 1 354.542 3.377 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000568991152 505824982 /nfs/dbraw/zinc/82/49/82/505824982.db2.gz KZBKLZQDHZBBCJ-SFHVURJKSA-N 1 1 363.461 3.196 20 30 FGEDMO CC(C)(C)C[N@@H+](CCCO)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174852886 496133995 /nfs/dbraw/zinc/13/39/95/496133995.db2.gz FKZHZILTUKNOKN-UHFFFAOYSA-N 1 1 355.482 3.468 20 30 FGEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177765109 496187458 /nfs/dbraw/zinc/18/74/58/496187458.db2.gz OZPDBKVOTJWSIS-DLBZAZTESA-N 1 1 372.538 3.047 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C2CCC(CO)CC2)c1 ZINC000156285327 496206906 /nfs/dbraw/zinc/20/69/06/496206906.db2.gz RQTHACPQTLAFEV-UHFFFAOYSA-N 1 1 357.498 3.033 20 30 FGEDMO C=CCC[C@@H](NC(=O)NCCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000156461553 496251042 /nfs/dbraw/zinc/25/10/42/496251042.db2.gz NJJIYWLDZXHZBZ-HXUWFJFHSA-N 1 1 358.530 3.021 20 30 FGEDMO CC[NH+](CC)Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000187100221 496293291 /nfs/dbraw/zinc/29/32/91/496293291.db2.gz YHMKZYYZWIZHSJ-UHFFFAOYSA-N 1 1 373.478 3.209 20 30 FGEDMO COc1cc(C[N@@H+](C)C[C@@H](O)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000156629256 496297455 /nfs/dbraw/zinc/29/74/55/496297455.db2.gz PCEFGZJGYHZJKR-HXUWFJFHSA-N 1 1 366.461 3.349 20 30 FGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156836997 496345188 /nfs/dbraw/zinc/34/51/88/496345188.db2.gz UBAOWIFVVVAZEB-UZLBHIALSA-N 1 1 354.475 3.210 20 30 FGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156836997 496345195 /nfs/dbraw/zinc/34/51/95/496345195.db2.gz UBAOWIFVVVAZEB-UZLBHIALSA-N 1 1 354.475 3.210 20 30 FGEDMO COc1cc(C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1O ZINC000156891956 496358067 /nfs/dbraw/zinc/35/80/67/496358067.db2.gz YARMKXWQFXWTCK-ZGOJQLDESA-N 1 1 373.497 3.152 20 30 FGEDMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)ccc1O ZINC000156891956 496358072 /nfs/dbraw/zinc/35/80/72/496358072.db2.gz YARMKXWQFXWTCK-ZGOJQLDESA-N 1 1 373.497 3.152 20 30 FGEDMO CC[C@@](C)([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1nc(C)cs1 ZINC000156918146 496363431 /nfs/dbraw/zinc/36/34/31/496363431.db2.gz DZMZMQUEOHLVSR-QGZVFWFLSA-N 1 1 363.508 3.012 20 30 FGEDMO C[C@@H]1[C@@H](NC(=O)NCc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000578003631 505839540 /nfs/dbraw/zinc/83/95/40/505839540.db2.gz NZWHJIPDBICPHY-KDOFPFPSSA-N 1 1 354.479 3.082 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157026499 496388277 /nfs/dbraw/zinc/38/82/77/496388277.db2.gz IVTYNHVWSDWYNQ-DWLFOUALSA-N 1 1 370.541 3.026 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1csc(-c2cccs2)n1 ZINC000153289262 496408940 /nfs/dbraw/zinc/40/89/40/496408940.db2.gz LJUWVKATDHVHEQ-UHFFFAOYSA-N 1 1 358.496 3.113 20 30 FGEDMO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](COC)Cc1ccccc1 ZINC000157122938 496410268 /nfs/dbraw/zinc/41/02/68/496410268.db2.gz YNADQSZWVJRAMJ-GOSISDBHSA-N 1 1 369.465 3.286 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](COC)Cc1ccccc1 ZINC000157122938 496410277 /nfs/dbraw/zinc/41/02/77/496410277.db2.gz YNADQSZWVJRAMJ-GOSISDBHSA-N 1 1 369.465 3.286 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)c(C#N)c1C ZINC000157172618 496421132 /nfs/dbraw/zinc/42/11/32/496421132.db2.gz IGJAUDMVSFEURG-SFHVURJKSA-N 1 1 366.465 3.307 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2)c(C#N)c1C ZINC000157172618 496421136 /nfs/dbraw/zinc/42/11/36/496421136.db2.gz IGJAUDMVSFEURG-SFHVURJKSA-N 1 1 366.465 3.307 20 30 FGEDMO CC(C)CCN(CCC#N)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172772116 496424727 /nfs/dbraw/zinc/42/47/27/496424727.db2.gz WWMFQMUSOXWYIY-HXUWFJFHSA-N 1 1 357.498 3.066 20 30 FGEDMO CC(C)CCN(CCC#N)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172772116 496424732 /nfs/dbraw/zinc/42/47/32/496424732.db2.gz WWMFQMUSOXWYIY-HXUWFJFHSA-N 1 1 357.498 3.066 20 30 FGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc(C#N)cn3C)cc2)C1 ZINC000175660501 496488366 /nfs/dbraw/zinc/48/83/66/496488366.db2.gz FTMBIKGTGGZFEH-MRXNPFEDSA-N 1 1 350.466 3.059 20 30 FGEDMO Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000178578389 496504671 /nfs/dbraw/zinc/50/46/71/496504671.db2.gz MBMJXQFQPLUYBN-CYBMUJFWSA-N 1 1 354.479 3.497 20 30 FGEDMO Cc1c(C#N)cccc1NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000178578389 496504672 /nfs/dbraw/zinc/50/46/72/496504672.db2.gz MBMJXQFQPLUYBN-CYBMUJFWSA-N 1 1 354.479 3.497 20 30 FGEDMO CN(C(=O)c1cccc(COc2ccccc2C#N)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000153827297 496593853 /nfs/dbraw/zinc/59/38/53/496593853.db2.gz UBFQHDZBKLXZFW-FQEVSTJZSA-N 1 1 363.461 3.303 20 30 FGEDMO C[C@H]1C[C@@H](NCc2cnc3ccc(C#N)cn23)CC[N@H+]1Cc1ccccc1 ZINC000175977769 496627720 /nfs/dbraw/zinc/62/77/20/496627720.db2.gz GQAZGKSXHYDPJD-PXNSSMCTSA-N 1 1 359.477 3.349 20 30 FGEDMO C[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CCN1Cc1ccccc1 ZINC000175977769 496627725 /nfs/dbraw/zinc/62/77/25/496627725.db2.gz GQAZGKSXHYDPJD-PXNSSMCTSA-N 1 1 359.477 3.349 20 30 FGEDMO N#Cc1ccc(C2(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000187967648 496635657 /nfs/dbraw/zinc/63/56/57/496635657.db2.gz LPIIEBSEFVMVDW-NRFANRHFSA-N 1 1 359.473 3.371 20 30 FGEDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000153980360 496643856 /nfs/dbraw/zinc/64/38/56/496643856.db2.gz SSMYARRECSXDKZ-SFHVURJKSA-N 1 1 367.449 3.142 20 30 FGEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000153980360 496643860 /nfs/dbraw/zinc/64/38/60/496643860.db2.gz SSMYARRECSXDKZ-SFHVURJKSA-N 1 1 367.449 3.142 20 30 FGEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)C2)C1 ZINC000580884244 505860702 /nfs/dbraw/zinc/86/07/02/505860702.db2.gz NEZSLDGPTQWIIM-TZIWHRDSSA-N 1 1 352.482 3.063 20 30 FGEDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)C2)C1 ZINC000580884243 505860906 /nfs/dbraw/zinc/86/09/06/505860906.db2.gz NEZSLDGPTQWIIM-PZJWPPBQSA-N 1 1 352.482 3.063 20 30 FGEDMO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000247002681 496748376 /nfs/dbraw/zinc/74/83/76/496748376.db2.gz PCHHCWLOOYZZFX-ICSRJNTNSA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000247002681 496748378 /nfs/dbraw/zinc/74/83/78/496748378.db2.gz PCHHCWLOOYZZFX-ICSRJNTNSA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000247002681 496748380 /nfs/dbraw/zinc/74/83/80/496748380.db2.gz PCHHCWLOOYZZFX-ICSRJNTNSA-N 1 1 368.525 3.473 20 30 FGEDMO CN(Cc1ccc(Cl)cc1C#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188317795 496750682 /nfs/dbraw/zinc/75/06/82/496750682.db2.gz LJHLTNZZXNNURU-OAQYLSRUSA-N 1 1 369.896 3.280 20 30 FGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000194900898 496754782 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3.166 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000264284960 496862745 /nfs/dbraw/zinc/86/27/45/496862745.db2.gz OQIYXVLSEFNGOK-HNNXBMFYSA-N 1 1 351.475 3.391 20 30 FGEDMO Cc1ccc2oc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2n1 ZINC000264310247 496868227 /nfs/dbraw/zinc/86/82/27/496868227.db2.gz URUIQNFRHYXDRS-UHFFFAOYSA-N 1 1 374.444 3.356 20 30 FGEDMO Cc1ccc2oc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc2n1 ZINC000264310247 496868234 /nfs/dbraw/zinc/86/82/34/496868234.db2.gz URUIQNFRHYXDRS-UHFFFAOYSA-N 1 1 374.444 3.356 20 30 FGEDMO COc1ccc(CNc2ccc(Cl)c(C[N@@H+](C)CCO)c2)cc1C#N ZINC000572021322 505871286 /nfs/dbraw/zinc/87/12/86/505871286.db2.gz LDLUXRKNCFNSFB-UHFFFAOYSA-N 1 1 359.857 3.256 20 30 FGEDMO C[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)CC1(O)CCOCC1 ZINC000188833384 496923708 /nfs/dbraw/zinc/92/37/08/496923708.db2.gz RTCWCLBIMPWCGM-UHFFFAOYSA-N 1 1 366.461 3.111 20 30 FGEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)CCCCOc2cccc(C#N)c2)C1 ZINC000264656063 496954987 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366.461 3.068 20 30 FGEDMO CC1CCC([N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]2CCCO2)CC1 ZINC000441489605 501147100 /nfs/dbraw/zinc/14/71/00/501147100.db2.gz UFTVHNJGWHOXSD-QOLBBYBCSA-N 1 1 372.509 3.358 20 30 FGEDMO COC(=O)c1cccc(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c1C#N ZINC000588214959 506237182 /nfs/dbraw/zinc/23/71/82/506237182.db2.gz MBSWBVXXMJAFGW-SJORKVTESA-N 1 1 366.461 3.331 20 30 FGEDMO CC(C)c1ccc(C[NH+]2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1 ZINC000450220339 501213105 /nfs/dbraw/zinc/21/31/05/501213105.db2.gz HYIQGYDEQGKENU-UHFFFAOYSA-N 1 1 365.437 3.307 20 30 FGEDMO C[C@](CO)([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(O)c1 ZINC000451030891 501240627 /nfs/dbraw/zinc/24/06/27/501240627.db2.gz KDTQSXINMLDXPD-GOSISDBHSA-N 1 1 365.351 3.140 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(C#N)c1C ZINC000451336172 501268758 /nfs/dbraw/zinc/26/87/58/501268758.db2.gz DZLCAWIQQYLYKY-OXXUSNJHSA-N 1 1 359.470 3.111 20 30 FGEDMO 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DEQZDCYGCCRJFU-UHFFFAOYSA-N 1 1 373.497 3.128 20 30 FGEDMO C=CCc1cc(C[N@@H+](CCOC)Cc2c(C)nn(C)c2C)cc(OC)c1O ZINC000453605893 501359730 /nfs/dbraw/zinc/35/97/30/501359730.db2.gz DEQZDCYGCCRJFU-UHFFFAOYSA-N 1 1 373.497 3.128 20 30 FGEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(C#N)c1Br ZINC000451826685 501380764 /nfs/dbraw/zinc/38/07/64/501380764.db2.gz SSSFQLLCTYIUBJ-GFCCVEGCSA-N 1 1 352.276 3.171 20 30 FGEDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455806600 501390295 /nfs/dbraw/zinc/39/02/95/501390295.db2.gz YOQCHYIGKYZXOU-WMLDXEAASA-N 1 1 356.470 3.436 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000455865684 501402735 /nfs/dbraw/zinc/40/27/35/501402735.db2.gz UAVBEZFSNKJMBD-HXUWFJFHSA-N 1 1 353.510 3.317 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(CC#N)c2)[C@H](C)C1 ZINC000455922628 501416591 /nfs/dbraw/zinc/41/65/91/501416591.db2.gz RGYPKUJLQTUNFE-APWZRJJASA-N 1 1 358.486 3.011 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C)cc(C#N)c2)[C@@H](C)C1 ZINC000456001017 501435039 /nfs/dbraw/zinc/43/50/39/501435039.db2.gz LWCRMQMJULXROY-QFBILLFUSA-N 1 1 358.486 3.125 20 30 FGEDMO COc1ccc(Br)c([C@H](CO)[N@@H+](C)C[C@@H](C)CCC#N)c1 ZINC000602676907 506257884 /nfs/dbraw/zinc/25/78/84/506257884.db2.gz UGOOKRRZVCDGQH-LRDDRELGSA-N 1 1 355.276 3.363 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000454358088 501522194 /nfs/dbraw/zinc/52/21/94/501522194.db2.gz FXKGAXDIRWVWEM-BEFAXECRSA-N 1 1 366.440 3.332 20 30 FGEDMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C2 ZINC000452675426 501543115 /nfs/dbraw/zinc/54/31/15/501543115.db2.gz GDMMTMZXHZADTP-AWEZNQCLSA-N 1 1 352.438 3.442 20 30 FGEDMO C=CC(C)(C)CNC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000454489224 501558483 /nfs/dbraw/zinc/55/84/83/501558483.db2.gz RDHXYZVBPOEFDP-UHFFFAOYSA-N 1 1 364.559 3.429 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000453014383 501601689 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501759462 /nfs/dbraw/zinc/75/94/62/501759462.db2.gz CYIKZFQVPGAZIY-WMLDXEAASA-N 1 1 352.400 3.294 20 30 FGEDMO CC(C)(C)CN(CCC#N)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000477769272 501781578 /nfs/dbraw/zinc/78/15/78/501781578.db2.gz KPXSCBOCMLQLNH-LJQANCHMSA-N 1 1 357.498 3.066 20 30 FGEDMO CC(C)(C)CN(CCC#N)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000477769272 501781584 /nfs/dbraw/zinc/78/15/84/501781584.db2.gz KPXSCBOCMLQLNH-LJQANCHMSA-N 1 1 357.498 3.066 20 30 FGEDMO C=C(C)[C@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1ccc(F)c(F)c1 ZINC000481604625 501829067 /nfs/dbraw/zinc/82/90/67/501829067.db2.gz YVIHNJLKLPKOLH-SFHVURJKSA-N 1 1 365.424 3.330 20 30 FGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000485715792 501912167 /nfs/dbraw/zinc/91/21/67/501912167.db2.gz KBTOQOUVNQJWFK-HNNXBMFYSA-N 1 1 351.410 3.053 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)cc1 ZINC000599021665 506282537 /nfs/dbraw/zinc/28/25/37/506282537.db2.gz JPAODZYXHAYYCV-FCHUYYIVSA-N 1 1 359.473 3.333 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000471165134 501943230 /nfs/dbraw/zinc/94/32/30/501943230.db2.gz MCCAGWCLXUBMHK-NRFANRHFSA-N 1 1 362.477 3.488 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000478419864 501976984 /nfs/dbraw/zinc/97/69/84/501976984.db2.gz YJNOBQYDTCDKKD-FQEVSTJZSA-N 1 1 368.502 3.429 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000478419864 501976989 /nfs/dbraw/zinc/97/69/89/501976989.db2.gz YJNOBQYDTCDKKD-FQEVSTJZSA-N 1 1 368.502 3.429 20 30 FGEDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000485980750 502009567 /nfs/dbraw/zinc/00/95/67/502009567.db2.gz RXQBQWPEFAUKCV-OXJNMPFZSA-N 1 1 363.461 3.468 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000471662698 502101824 /nfs/dbraw/zinc/10/18/24/502101824.db2.gz FARMKOPMYBBSGD-HXUWFJFHSA-N 1 1 364.493 3.100 20 30 FGEDMO C=C(C)[C@H](CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)OCC ZINC000461446700 502118345 /nfs/dbraw/zinc/11/83/45/502118345.db2.gz DWMBFILLMJTXNP-HKBOAZHASA-N 1 1 356.510 3.338 20 30 FGEDMO CCOC(=O)[C@H](CC(C)C)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000611772909 506294349 /nfs/dbraw/zinc/29/43/49/506294349.db2.gz JESZMUYXIUBGDG-FQEVSTJZSA-N 1 1 357.498 3.044 20 30 FGEDMO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000611772909 506294363 /nfs/dbraw/zinc/29/43/63/506294363.db2.gz JESZMUYXIUBGDG-FQEVSTJZSA-N 1 1 357.498 3.044 20 30 FGEDMO CCOC(=O)[C@H](CC(C)C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000611772909 506294369 /nfs/dbraw/zinc/29/43/69/506294369.db2.gz JESZMUYXIUBGDG-FQEVSTJZSA-N 1 1 357.498 3.044 20 30 FGEDMO Cc1nc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)cc1C#N ZINC000461716713 502177212 /nfs/dbraw/zinc/17/72/12/502177212.db2.gz GBSSXRZOEIBMFG-UHFFFAOYSA-N 1 1 356.857 3.359 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1cccc(C#N)c1)[NH+](C)C ZINC000461737076 502185601 /nfs/dbraw/zinc/18/56/01/502185601.db2.gz MPKHDNZPASYJFE-KXBFYZLASA-N 1 1 351.450 3.089 20 30 FGEDMO C[C@H]1[C@H](NC(=O)NCCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000588671279 506299870 /nfs/dbraw/zinc/29/98/70/506299870.db2.gz IJOOBLOAHOSXTB-LAUBAEHRSA-N 1 1 362.477 3.063 20 30 FGEDMO CC[C@@H](CNC(=O)NCC(C)(C)CCC#N)[N@H+]1CCc2ccccc2C1 ZINC000479311217 502220595 /nfs/dbraw/zinc/22/05/95/502220595.db2.gz KGNPMDZNVQLBKE-IBGZPJMESA-N 1 1 356.514 3.452 20 30 FGEDMO CC(C)c1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)on1 ZINC000479313308 502222400 /nfs/dbraw/zinc/22/24/00/502222400.db2.gz UQWRYPGEHRCKLK-UHFFFAOYSA-N 1 1 352.438 3.086 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)ccc1OC ZINC000475625902 502233625 /nfs/dbraw/zinc/23/36/25/502233625.db2.gz PLMAPKVEAJXLMA-NRFANRHFSA-N 1 1 361.482 3.420 20 30 FGEDMO Cc1nc(NCC2([NH+]3CCCCC3)CCN(C)CC2)c(Cl)cc1C#N ZINC000461964716 502254880 /nfs/dbraw/zinc/25/48/80/502254880.db2.gz KZHKWEAFNSIKCR-UHFFFAOYSA-N 1 1 361.921 3.277 20 30 FGEDMO COc1cc(C[N@H+]2CC[C@@](C)(O)C2)ccc1OCc1cccc(C#N)c1 ZINC000483056390 502258999 /nfs/dbraw/zinc/25/89/99/502258999.db2.gz KONRTEFGUZDOQZ-OAQYLSRUSA-N 1 1 352.434 3.103 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1C ZINC000475734976 502271533 /nfs/dbraw/zinc/27/15/33/502271533.db2.gz QIHUAQTUZKFSCR-JOCHJYFZSA-N 1 1 369.509 3.443 20 30 FGEDMO C[C@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(C)(C)C1 ZINC000472266520 502291105 /nfs/dbraw/zinc/29/11/05/502291105.db2.gz XNMOFAROWAERPY-CQSZACIVSA-N 1 1 352.400 3.294 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000469156685 502318228 /nfs/dbraw/zinc/31/82/28/502318228.db2.gz DDXATKQLCYVDSF-MDZRGWNJSA-N 1 1 354.498 3.410 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000582582278 506306962 /nfs/dbraw/zinc/30/69/62/506306962.db2.gz GLTXDJGCBHQLNN-RLLQIKCJSA-N 1 1 357.498 3.026 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582582278 506306970 /nfs/dbraw/zinc/30/69/70/506306970.db2.gz GLTXDJGCBHQLNN-RLLQIKCJSA-N 1 1 357.498 3.026 20 30 FGEDMO CC(C)[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC[N@H+]1C ZINC000487077378 502351216 /nfs/dbraw/zinc/35/12/16/502351216.db2.gz WQKSUPNIUGKYCW-QGZVFWFLSA-N 1 1 360.408 3.484 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000462259559 502370714 /nfs/dbraw/zinc/37/07/14/502370714.db2.gz NOYWYRPYQDSFSH-DNVCBOLYSA-N 1 1 364.449 3.209 20 30 FGEDMO CC1(C)C[N@@H+](C2(CNC(=O)c3ccc(C#N)s3)CCCCC2)CCO1 ZINC000487240781 502399428 /nfs/dbraw/zinc/39/94/28/502399428.db2.gz LSODOOKFUCULHO-UHFFFAOYSA-N 1 1 361.511 3.163 20 30 FGEDMO CC1(C)C[N@H+](C2(CNC(=O)c3ccc(C#N)s3)CCCCC2)CCO1 ZINC000487240781 502399432 /nfs/dbraw/zinc/39/94/32/502399432.db2.gz LSODOOKFUCULHO-UHFFFAOYSA-N 1 1 361.511 3.163 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000483633113 502448658 /nfs/dbraw/zinc/44/86/58/502448658.db2.gz FPZOVCTXCNPNNZ-UWJYYQICSA-N 1 1 355.478 3.423 20 30 FGEDMO N#Cc1nc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)sc1Cl ZINC000596222048 506317986 /nfs/dbraw/zinc/31/79/86/506317986.db2.gz JBABOWRDEMUFIQ-UHFFFAOYSA-N 1 1 364.824 3.307 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3c(F)cccc3F)CC2)cc1 ZINC000473157760 502530972 /nfs/dbraw/zinc/53/09/72/502530972.db2.gz GIMBNERHBZHGAX-QGZVFWFLSA-N 1 1 370.399 3.365 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)cc1 ZINC000473157760 502530976 /nfs/dbraw/zinc/53/09/76/502530976.db2.gz GIMBNERHBZHGAX-QGZVFWFLSA-N 1 1 370.399 3.365 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccs2)CC1 ZINC000466370422 502550155 /nfs/dbraw/zinc/55/01/55/502550155.db2.gz OXDOWHWTKDWGKB-SFHVURJKSA-N 1 1 358.507 3.039 20 30 FGEDMO COC(=O)c1ccccc1CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000480511269 502587368 /nfs/dbraw/zinc/58/73/68/502587368.db2.gz CFPULVFVUBHAIG-UHFFFAOYSA-N 1 1 363.461 3.100 20 30 FGEDMO COCCC[N@@H+](C)CCNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000462875257 502608990 /nfs/dbraw/zinc/60/89/90/502608990.db2.gz AKIMNMQFAJNGPW-UHFFFAOYSA-N 1 1 351.454 3.048 20 30 FGEDMO CC(C)[C@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@H+]1C ZINC000488040555 502609031 /nfs/dbraw/zinc/60/90/31/502609031.db2.gz KXVFAKLPSANTSI-HXUWFJFHSA-N 1 1 352.482 3.010 20 30 FGEDMO C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)[N@H+]1CCCC[C@H]1C ZINC000466596965 502618894 /nfs/dbraw/zinc/61/88/94/502618894.db2.gz MQTNEJUBWRYKOM-HZPDHXFCSA-N 1 1 359.474 3.149 20 30 FGEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C1(C)C ZINC000477060875 502665700 /nfs/dbraw/zinc/66/57/00/502665700.db2.gz VAYLFXDJYMIBMT-OALUTQOASA-N 1 1 357.498 3.090 20 30 FGEDMO CC1(C)C[N@H+](C2(CNC(=O)c3cccc(F)c3C#N)CCCCC2)CCO1 ZINC000488377263 502697749 /nfs/dbraw/zinc/69/77/49/502697749.db2.gz GYPNTROPYGMKGR-UHFFFAOYSA-N 1 1 373.472 3.241 20 30 FGEDMO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000484682412 502706934 /nfs/dbraw/zinc/70/69/34/502706934.db2.gz UTXGNDAOBJUOAM-CYBMUJFWSA-N 1 1 355.276 3.219 20 30 FGEDMO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000484682412 502706938 /nfs/dbraw/zinc/70/69/38/502706938.db2.gz UTXGNDAOBJUOAM-CYBMUJFWSA-N 1 1 355.276 3.219 20 30 FGEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C[C@H](C)OC ZINC000463419215 502793796 /nfs/dbraw/zinc/79/37/96/502793796.db2.gz KDVWEWSCQQWYAE-AWEZNQCLSA-N 1 1 360.502 3.387 20 30 FGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O ZINC000467141913 502800688 /nfs/dbraw/zinc/80/06/88/502800688.db2.gz LHSYCVCEDOQHIU-OAHLLOKOSA-N 1 1 350.484 3.318 20 30 FGEDMO C=CCn1cccc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000488775042 502808300 /nfs/dbraw/zinc/80/83/00/502808300.db2.gz AISZGFKOAZCMFV-CTNGQTDRSA-N 1 1 365.477 3.391 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)[C@H]2CCc3ccccc32)c1C ZINC000485078674 502813561 /nfs/dbraw/zinc/81/35/61/502813561.db2.gz VWIORHNQJJZYDH-NRFANRHFSA-N 1 1 352.478 3.455 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1C ZINC000485078674 502813563 /nfs/dbraw/zinc/81/35/63/502813563.db2.gz VWIORHNQJJZYDH-NRFANRHFSA-N 1 1 352.478 3.455 20 30 FGEDMO C[C@@H]1C[C@@H](CCNC(=O)N2CCC(F)(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000500599481 502823680 /nfs/dbraw/zinc/82/36/80/502823680.db2.gz JUKJPVRWXFPXHP-IEBWSBKVSA-N 1 1 372.488 3.324 20 30 FGEDMO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000505160775 502861380 /nfs/dbraw/zinc/86/13/80/502861380.db2.gz RZRCCTMMIFCCDG-UHFFFAOYSA-N 1 1 371.868 3.181 20 30 FGEDMO CN(CCOc1ccc(Cl)cc1)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000505160775 502861383 /nfs/dbraw/zinc/86/13/83/502861383.db2.gz RZRCCTMMIFCCDG-UHFFFAOYSA-N 1 1 371.868 3.181 20 30 FGEDMO C=CCCCS(=O)(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000489112753 502881693 /nfs/dbraw/zinc/88/16/93/502881693.db2.gz DUUWSMSPDLOHEN-PKOBYXMFSA-N 1 1 350.528 3.440 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513368606 502917035 /nfs/dbraw/zinc/91/70/35/502917035.db2.gz XPDVTLGYUCPZFD-QGZVFWFLSA-N 1 1 372.488 3.069 20 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/nfs/dbraw/zinc/96/22/46/502962246.db2.gz VDVGTKCFCHZKTI-UHFFFAOYSA-N 1 1 366.509 3.416 20 30 FGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000489469013 502966202 /nfs/dbraw/zinc/96/62/02/502966202.db2.gz CKRPWSFPIMVILT-SFHVURJKSA-N 1 1 357.498 3.213 20 30 FGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(CCC)CC(=O)Nc1ccccc1C ZINC000489469013 502966204 /nfs/dbraw/zinc/96/62/04/502966204.db2.gz CKRPWSFPIMVILT-SFHVURJKSA-N 1 1 357.498 3.213 20 30 FGEDMO COc1ccc(CCC[N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000497471836 502966681 /nfs/dbraw/zinc/96/66/81/502966681.db2.gz IIDYPPVJNHRLPO-UHFFFAOYSA-N 1 1 355.438 3.280 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)cc1 ZINC000599145638 506344295 /nfs/dbraw/zinc/34/42/95/506344295.db2.gz YUBNZXSXXHZEAP-SFHVURJKSA-N 1 1 366.421 3.470 20 30 FGEDMO C=C(CNC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C)c1ccccc1 ZINC000497615940 503000654 /nfs/dbraw/zinc/00/06/54/503000654.db2.gz ALDINFIWWYILGV-UYAOXDASSA-N 1 1 359.514 3.136 20 30 FGEDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)cc1 ZINC000602909195 506348502 /nfs/dbraw/zinc/34/85/02/506348502.db2.gz ISKMUBFJQMFWOX-OAHLLOKOSA-N 1 1 364.449 3.168 20 30 FGEDMO O=C(NCC#Cc1ccccc1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506101311 503047767 /nfs/dbraw/zinc/04/77/67/503047767.db2.gz OQDKUSIUNXEDLV-FQEVSTJZSA-N 1 1 368.427 3.312 20 30 FGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000514339245 503127133 /nfs/dbraw/zinc/12/71/33/503127133.db2.gz POFQWLIPKNKAQV-UHFFFAOYSA-N 1 1 361.917 3.048 20 30 FGEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602926376 506354387 /nfs/dbraw/zinc/35/43/87/506354387.db2.gz UYPSEEAUKNPZSF-INIZCTEOSA-N 1 1 350.340 3.409 20 30 FGEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602926319 506354458 /nfs/dbraw/zinc/35/44/58/506354458.db2.gz RZXXDQHNPXSKSN-INIZCTEOSA-N 1 1 350.340 3.409 20 30 FGEDMO C=CCCO[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000498289715 503151176 /nfs/dbraw/zinc/15/11/76/503151176.db2.gz BOXZNNOAQCKMHY-INIZCTEOSA-N 1 1 350.890 3.356 20 30 FGEDMO C=CCCO[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000498289715 503151180 /nfs/dbraw/zinc/15/11/80/503151180.db2.gz BOXZNNOAQCKMHY-INIZCTEOSA-N 1 1 350.890 3.356 20 30 FGEDMO C[C@@H]1[C@@H](NC(=O)NCc2cc(C#N)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000498385364 503175340 /nfs/dbraw/zinc/17/53/40/503175340.db2.gz MQESOFCQSVUTBT-QRWLVFNGSA-N 1 1 366.440 3.160 20 30 FGEDMO Cc1onc(CC(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1C#N ZINC000498524407 503201876 /nfs/dbraw/zinc/20/18/76/503201876.db2.gz FOSCZQBSVLAYAQ-AWEZNQCLSA-N 1 1 352.438 3.268 20 30 FGEDMO N#Cc1ccc(C2=CC[N@@H+](CCn3cnc4ccccc4c3=O)CC2)cc1 ZINC000502523912 503216525 /nfs/dbraw/zinc/21/65/25/503216525.db2.gz RHFNCLGUKYCOHY-UHFFFAOYSA-N 1 1 356.429 3.057 20 30 FGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510944445 503222950 /nfs/dbraw/zinc/22/29/50/503222950.db2.gz GAGOXZLKUSCBND-DZGCQCFKSA-N 1 1 353.388 3.400 20 30 FGEDMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000511095911 503252817 /nfs/dbraw/zinc/25/28/17/503252817.db2.gz YPGRZIGCTZIGOG-OAHLLOKOSA-N 1 1 372.818 3.472 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511108232 503256595 /nfs/dbraw/zinc/25/65/95/503256595.db2.gz MIOYEYSSMPXQMC-UHFFFAOYSA-N 1 1 358.404 3.484 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511108232 503256597 /nfs/dbraw/zinc/25/65/97/503256597.db2.gz MIOYEYSSMPXQMC-UHFFFAOYSA-N 1 1 358.404 3.484 20 30 FGEDMO C=C(C)Cn1c(C(C)C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000515046120 503258751 /nfs/dbraw/zinc/25/87/51/503258751.db2.gz MLYYMLFJQYZYPM-UHFFFAOYSA-N 1 1 364.497 3.171 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1C ZINC000498922726 503294361 /nfs/dbraw/zinc/29/43/61/503294361.db2.gz CVZUSRMFXKEGHQ-HZPDHXFCSA-N 1 1 362.905 3.001 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000491342099 503298267 /nfs/dbraw/zinc/29/82/67/503298267.db2.gz HLIXMJDAMCDXQB-UHFFFAOYSA-N 1 1 355.438 3.275 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000491342099 503298270 /nfs/dbraw/zinc/29/82/70/503298270.db2.gz HLIXMJDAMCDXQB-UHFFFAOYSA-N 1 1 355.438 3.275 20 30 FGEDMO Cc1c(C#N)cccc1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000511342227 503303209 /nfs/dbraw/zinc/30/32/09/503303209.db2.gz QHIDVJTZDFQQJH-IBGZPJMESA-N 1 1 365.502 3.214 20 30 FGEDMO Cc1c(C#N)cccc1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000511342227 503303214 /nfs/dbraw/zinc/30/32/14/503303214.db2.gz QHIDVJTZDFQQJH-IBGZPJMESA-N 1 1 365.502 3.214 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)C1 ZINC000507536036 503317073 /nfs/dbraw/zinc/31/70/73/503317073.db2.gz QKIKFHCVOLRICG-MAUKXSAKSA-N 1 1 351.425 3.192 20 30 FGEDMO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1OCCc2sccc21 ZINC000515336335 503317190 /nfs/dbraw/zinc/31/71/90/503317190.db2.gz QGXXPZHXRWIPHI-XIKOKIGWSA-N 1 1 366.446 3.462 20 30 FGEDMO CC1CCN(C[C@@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507602218 503329576 /nfs/dbraw/zinc/32/95/76/503329576.db2.gz PPQDUAYTXYTEQX-ORFBVSJDSA-N 1 1 355.526 3.073 20 30 FGEDMO C=CCCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511561232 503343558 /nfs/dbraw/zinc/34/35/58/503343558.db2.gz PPRFHIWSVBTTGD-IBGZPJMESA-N 1 1 359.514 3.179 20 30 FGEDMO COc1cccc(C[C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)c1 ZINC000515496039 503351310 /nfs/dbraw/zinc/35/13/10/503351310.db2.gz NWTXXAKVTHVJQN-UXHICEINSA-N 1 1 366.461 3.014 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(CCOc3ccc(C#N)cc3)CC2)c1 ZINC000507729739 503357023 /nfs/dbraw/zinc/35/70/23/503357023.db2.gz BPLOSUTVGVDPRH-SFHVURJKSA-N 1 1 365.477 3.324 20 30 FGEDMO COc1cccc([C@H](C)N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)c1 ZINC000507729739 503357027 /nfs/dbraw/zinc/35/70/27/503357027.db2.gz BPLOSUTVGVDPRH-SFHVURJKSA-N 1 1 365.477 3.324 20 30 FGEDMO C[C@@H](NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000507768515 503362372 /nfs/dbraw/zinc/36/23/72/503362372.db2.gz HJGUPPQXUCWENA-QGZVFWFLSA-N 1 1 363.461 3.279 20 30 FGEDMO Cc1cc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)ccc1C#N ZINC000593066490 506371051 /nfs/dbraw/zinc/37/10/51/506371051.db2.gz FIIVYDZLMLNCAK-GOTSBHOMSA-N 1 1 361.489 3.342 20 30 FGEDMO C=CCOc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000508015105 503413652 /nfs/dbraw/zinc/41/36/52/503413652.db2.gz VXNRBBNAQJQPOH-UHFFFAOYSA-N 1 1 356.491 3.313 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000512038111 503440531 /nfs/dbraw/zinc/44/05/31/503440531.db2.gz IKTDRUDKGGJUIM-NSHGMRRFSA-N 1 1 374.525 3.334 20 30 FGEDMO C=CCOc1ccc(CN2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000512038111 503440534 /nfs/dbraw/zinc/44/05/34/503440534.db2.gz IKTDRUDKGGJUIM-NSHGMRRFSA-N 1 1 374.525 3.334 20 30 FGEDMO C=CCOc1ccc(CN2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000512038111 503440540 /nfs/dbraw/zinc/44/05/40/503440540.db2.gz IKTDRUDKGGJUIM-NSHGMRRFSA-N 1 1 374.525 3.334 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 ZINC000508151841 503441727 /nfs/dbraw/zinc/44/17/27/503441727.db2.gz SCZGHAZYNGQCIP-UHFFFAOYSA-N 1 1 366.513 3.302 20 30 FGEDMO COCC[N@@H+](C)CC[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000508238803 503461274 /nfs/dbraw/zinc/46/12/74/503461274.db2.gz XETAGYKSYOIAQO-FQEVSTJZSA-N 1 1 366.465 3.389 20 30 FGEDMO COc1ccc2nc(C)nc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000508264786 503464820 /nfs/dbraw/zinc/46/48/20/503464820.db2.gz QZJBWFUXSANHRZ-UHFFFAOYSA-N 1 1 373.460 3.141 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCCCC[C@@H]1C ZINC000512154737 503471716 /nfs/dbraw/zinc/47/17/16/503471716.db2.gz OVDJORBXSHQLTK-HNNXBMFYSA-N 1 1 360.502 3.216 20 30 FGEDMO C[C@H]1CCCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000512197376 503483206 /nfs/dbraw/zinc/48/32/06/503483206.db2.gz PQQVSLIUMQNVQQ-HNNXBMFYSA-N 1 1 352.400 3.438 20 30 FGEDMO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCCOC1 ZINC000593070887 506374842 /nfs/dbraw/zinc/37/48/42/506374842.db2.gz XSJCYORPQHXNEM-QGZVFWFLSA-N 1 1 363.889 3.396 20 30 FGEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCCOC1 ZINC000593070887 506374847 /nfs/dbraw/zinc/37/48/47/506374847.db2.gz XSJCYORPQHXNEM-QGZVFWFLSA-N 1 1 363.889 3.396 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512292605 503511099 /nfs/dbraw/zinc/51/10/99/503511099.db2.gz QHUZFCGRMXHNGN-NZQKXSOJSA-N 1 1 367.537 3.174 20 30 FGEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000516606951 503548537 /nfs/dbraw/zinc/54/85/37/503548537.db2.gz XOBNIDQNDBBVSR-KUHUBIRLSA-N 1 1 357.479 3.430 20 30 FGEDMO C=CCn1c(COCC)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508803334 503567297 /nfs/dbraw/zinc/56/72/97/503567297.db2.gz WKAWUMIWEHNELW-ZWKOTPCHSA-N 1 1 361.534 3.091 20 30 FGEDMO C=CCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000508886426 503588779 /nfs/dbraw/zinc/58/87/79/503588779.db2.gz AMIPBGVSRVVJJF-UHFFFAOYSA-N 1 1 359.543 3.436 20 30 FGEDMO C=CCn1c(Cc2ccccc2C)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000508907400 503597287 /nfs/dbraw/zinc/59/72/87/503597287.db2.gz MNWRIDLAMBQJDK-IBGZPJMESA-N 1 1 353.514 3.140 20 30 FGEDMO C=C(C)Cn1c(C2CCCC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000516860198 503602276 /nfs/dbraw/zinc/60/22/76/503602276.db2.gz NYALPAAEWCNNOR-QGZVFWFLSA-N 1 1 373.545 3.201 20 30 FGEDMO COc1ccc(C[C@H]2CCCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000593081076 506381711 /nfs/dbraw/zinc/38/17/11/506381711.db2.gz GULWGXJKJRHQPK-NQIIRXRSSA-N 1 1 357.498 3.147 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)c2ccccc21 ZINC000512805382 503635509 /nfs/dbraw/zinc/63/55/09/503635509.db2.gz GHFYJNQSXYFWBG-CQSZACIVSA-N 1 1 361.392 3.299 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c2ccccc21 ZINC000512805382 503635515 /nfs/dbraw/zinc/63/55/15/503635515.db2.gz GHFYJNQSXYFWBG-CQSZACIVSA-N 1 1 361.392 3.299 20 30 FGEDMO CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512806213 503635834 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20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000557481007 505146247 /nfs/dbraw/zinc/14/62/47/505146247.db2.gz WSMNHYOFBXFTCS-MOPGFXCFSA-N 1 1 370.403 3.185 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000557481007 505146253 /nfs/dbraw/zinc/14/62/53/505146253.db2.gz WSMNHYOFBXFTCS-MOPGFXCFSA-N 1 1 370.403 3.185 20 30 FGEDMO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000557507471 505152151 /nfs/dbraw/zinc/15/21/51/505152151.db2.gz ZRJHJEXEQGBUBB-OHTSDLOESA-N 1 1 357.498 3.090 20 30 FGEDMO CN(C(=O)c1ccc(NCc2cc(C#N)cs2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000551091256 505155696 /nfs/dbraw/zinc/15/56/96/505155696.db2.gz OITRCJHKCZDOFX-SFHVURJKSA-N 1 1 368.506 3.398 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000557628912 505187216 /nfs/dbraw/zinc/18/72/16/505187216.db2.gz BGNLTOKJYCAKLQ-KUHUBIRLSA-N 1 1 365.437 3.371 20 30 FGEDMO C[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1Cc1ccccc1 ZINC000557742787 505219390 /nfs/dbraw/zinc/21/93/90/505219390.db2.gz VKAHUSZXMXKNCK-MRXNPFEDSA-N 1 1 360.383 3.335 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c(-c2ccncc2)n1 ZINC000566678708 505242074 /nfs/dbraw/zinc/24/20/74/505242074.db2.gz KMLYCQFNUGYAAV-ICSRJNTNSA-N 1 1 365.481 3.250 20 30 FGEDMO COc1cc(F)c([C@@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)cc1OC ZINC000551787689 505307612 /nfs/dbraw/zinc/30/76/12/505307612.db2.gz KTJQOGTZACWITD-GFCCVEGCSA-N 1 1 354.385 3.213 20 30 FGEDMO CC(C)(C)c1ncc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000561298460 505308759 /nfs/dbraw/zinc/30/87/59/505308759.db2.gz YYPVQEYETXISKM-UHFFFAOYSA-N 1 1 363.509 3.354 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)c1C ZINC000558116127 505311674 /nfs/dbraw/zinc/31/16/74/505311674.db2.gz VAGLLFMLWAWKOC-KRWDZBQOSA-N 1 1 357.498 3.176 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000554960533 505312717 /nfs/dbraw/zinc/31/27/17/505312717.db2.gz OFIXRECKBIEVSE-KSEOMHKRSA-N 1 1 367.537 3.029 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000555065857 505339003 /nfs/dbraw/zinc/33/90/03/505339003.db2.gz MGTSHVFYMZFBHF-SFHVURJKSA-N 1 1 368.868 3.482 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000561471317 505355481 /nfs/dbraw/zinc/35/54/81/505355481.db2.gz QZXSEXATPHQLSS-QGZVFWFLSA-N 1 1 363.465 3.195 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ccc4cc(C#N)ccc4n3)c2)CCO1 ZINC000564385709 505403497 /nfs/dbraw/zinc/40/34/97/505403497.db2.gz RFBFVQSKBNNZEX-QGZVFWFLSA-N 1 1 372.472 3.361 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ccc4cc(C#N)ccc4n3)c2)CCO1 ZINC000564385709 505403499 /nfs/dbraw/zinc/40/34/99/505403499.db2.gz RFBFVQSKBNNZEX-QGZVFWFLSA-N 1 1 372.472 3.361 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000555321459 505407206 /nfs/dbraw/zinc/40/72/06/505407206.db2.gz CWUHJSPKXIKDNB-MRXNPFEDSA-N 1 1 362.477 3.424 20 30 FGEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000561762046 505430010 /nfs/dbraw/zinc/43/00/10/505430010.db2.gz JHDJVPWQYKICFU-UEXGIBASSA-N 1 1 369.509 3.296 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1C#N ZINC000567414552 505456553 /nfs/dbraw/zinc/45/65/53/505456553.db2.gz IHCUUMYJRSVSTH-MISYRCLQSA-N 1 1 356.466 3.250 20 30 FGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000555592621 505466667 /nfs/dbraw/zinc/46/66/67/505466667.db2.gz BZODOIGKTHRGAQ-OAQYLSRUSA-N 1 1 361.489 3.421 20 30 FGEDMO C=CCn1c(-c2ncccc2C)nnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000562030137 505496446 /nfs/dbraw/zinc/49/64/46/505496446.db2.gz XCZNGESTOLIOKP-UHFFFAOYSA-N 1 1 366.513 3.289 20 30 FGEDMO C=CCn1c(CCc2ccco2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000562029973 505496828 /nfs/dbraw/zinc/49/68/28/505496828.db2.gz VAOBCMKKZDPFQT-WMZOPIPTSA-N 1 1 357.502 3.009 20 30 FGEDMO CC(C)n1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000564707353 505497448 /nfs/dbraw/zinc/49/74/48/505497448.db2.gz KWDGYSDIQKYQKP-YJBOKZPZSA-N 1 1 350.470 3.071 20 30 FGEDMO Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000555723667 505501038 /nfs/dbraw/zinc/50/10/38/505501038.db2.gz JQNRVENKRWSVRB-QGZVFWFLSA-N 1 1 363.396 3.192 20 30 FGEDMO C=CC[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1ccc(OC)cc1 ZINC000555876629 505531126 /nfs/dbraw/zinc/53/11/26/505531126.db2.gz LKYFFUZIBFZILA-UHFFFAOYSA-N 1 1 358.404 3.483 20 30 FGEDMO C=CC[N@@H+](CC(=O)N(CC(F)(F)F)C(C)C)Cc1ccc(OC)cc1 ZINC000555876629 505531130 /nfs/dbraw/zinc/53/11/30/505531130.db2.gz LKYFFUZIBFZILA-UHFFFAOYSA-N 1 1 358.404 3.483 20 30 FGEDMO CC(C)C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000562205299 505539287 /nfs/dbraw/zinc/53/92/87/505539287.db2.gz OKTVANAEMOOJIW-UHFFFAOYSA-N 1 1 353.388 3.314 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(C3CC3)cc2F)cc1 ZINC000564869836 505545285 /nfs/dbraw/zinc/54/52/85/505545285.db2.gz KCFZFINUDYHCLK-UHFFFAOYSA-N 1 1 358.438 3.138 20 30 FGEDMO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000559004612 505549883 /nfs/dbraw/zinc/54/98/83/505549883.db2.gz YRONVSHGTDBZHJ-LJQANCHMSA-N 1 1 371.504 3.361 20 30 FGEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C2CC2)o1 ZINC000599252773 506386231 /nfs/dbraw/zinc/38/62/31/506386231.db2.gz RUNHIYXQMXLVNZ-SUMDDJOVSA-N 1 1 358.482 3.439 20 30 FGEDMO COc1ccc(C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)[C@@H](C)C2CC2)cc1 ZINC000599270881 506392953 /nfs/dbraw/zinc/39/29/53/506392953.db2.gz REUBAABWJBQURV-PXNSSMCTSA-N 1 1 372.509 3.367 20 30 FGEDMO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000588959859 506395073 /nfs/dbraw/zinc/39/50/73/506395073.db2.gz VNIQMFUYNCZEFJ-OAQYLSRUSA-N 1 1 364.493 3.451 20 30 FGEDMO CC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000599286169 506397582 /nfs/dbraw/zinc/39/75/82/506397582.db2.gz FXHFATPUTGQEIG-MJGOQNOKSA-N 1 1 360.498 3.019 20 30 FGEDMO CC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000599287814 506398694 /nfs/dbraw/zinc/39/86/94/506398694.db2.gz WVTJVJROQDPSHT-PXNSSMCTSA-N 1 1 368.477 3.260 20 30 FGEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000599294894 506401120 /nfs/dbraw/zinc/40/11/20/506401120.db2.gz SPXPBMFGKOSCBY-RBUKOAKNSA-N 1 1 354.475 3.088 20 30 FGEDMO Cc1ccc(C)c([C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)[C@@H](C)CO2)c1 ZINC000599299538 506403116 /nfs/dbraw/zinc/40/31/16/506403116.db2.gz GXWZMGVOZKQKJM-ZJOUEHCJSA-N 1 1 372.509 3.137 20 30 FGEDMO Cc1ccc(C)c([C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)[C@@H](C)CO2)c1 ZINC000599299538 506403121 /nfs/dbraw/zinc/40/31/21/506403121.db2.gz GXWZMGVOZKQKJM-ZJOUEHCJSA-N 1 1 372.509 3.137 20 30 FGEDMO C[C@@]1(C#N)CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000612115407 506443461 /nfs/dbraw/zinc/44/34/61/506443461.db2.gz ILIPDVKHKCAUQD-CTNGQTDRSA-N 1 1 354.498 3.234 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000612130289 506452615 /nfs/dbraw/zinc/45/26/15/506452615.db2.gz BKCCEOMDEDNRKI-DZGCQCFKSA-N 1 1 373.522 3.184 20 30 FGEDMO CC(C)(C#N)CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596549432 506456960 /nfs/dbraw/zinc/45/69/60/506456960.db2.gz FJCQJYSVTOSWGD-GOSISDBHSA-N 1 1 354.498 3.138 20 30 FGEDMO COCc1cc(C#N)ccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000603330529 506487392 /nfs/dbraw/zinc/48/73/92/506487392.db2.gz CIHIRTFIJZIXKT-NRFANRHFSA-N 1 1 365.477 3.273 20 30 FGEDMO N#Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000589252600 506496987 /nfs/dbraw/zinc/49/69/87/506496987.db2.gz FQSYFRVGERJYDF-GOSISDBHSA-N 1 1 354.841 3.174 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)NCCCCC#N)cc2)C[C@H](C)O1 ZINC000603426577 506509861 /nfs/dbraw/zinc/50/98/61/506509861.db2.gz BEHUGNVUANFUPJ-HDICACEKSA-N 1 1 372.513 3.131 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 ZINC000596671926 506524916 /nfs/dbraw/zinc/52/49/16/506524916.db2.gz HKRUZPSDEHOSLD-UHFFFAOYSA-N 1 1 356.514 3.254 20 30 FGEDMO CCOCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000599626656 506539070 /nfs/dbraw/zinc/53/90/70/506539070.db2.gz YATVNAFDZWZOHC-YLJYHZDGSA-N 1 1 357.498 3.021 20 30 FGEDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599631179 506539894 /nfs/dbraw/zinc/53/98/94/506539894.db2.gz XELPIWHRIDJXBC-OALUTQOASA-N 1 1 360.473 3.465 20 30 FGEDMO C[N@@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H](Cc2ccccc2)C1 ZINC000593323558 506540468 /nfs/dbraw/zinc/54/04/68/506540468.db2.gz QFQJVJKXJOWBOZ-FCHUYYIVSA-N 1 1 361.489 3.459 20 30 FGEDMO C[N@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H](Cc2ccccc2)C1 ZINC000593323558 506540475 /nfs/dbraw/zinc/54/04/75/506540475.db2.gz QFQJVJKXJOWBOZ-FCHUYYIVSA-N 1 1 361.489 3.459 20 30 FGEDMO Cc1cc(C)cc(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000596692532 506542232 /nfs/dbraw/zinc/54/22/32/506542232.db2.gz ABDBELRRWNZSAS-UHFFFAOYSA-N 1 1 361.489 3.452 20 30 FGEDMO COC[C@H](C)[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCc2ccccc21 ZINC000599681435 506576212 /nfs/dbraw/zinc/57/62/12/506576212.db2.gz DPZFKXZKAQDOSE-FBBABVLZSA-N 1 1 372.509 3.082 20 30 FGEDMO CCC(O)(CC)C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000599683616 506578850 /nfs/dbraw/zinc/57/88/50/506578850.db2.gz WYHHUCYNFDEDAN-UHFFFAOYSA-N 1 1 351.878 3.070 20 30 FGEDMO C=CC[N@@H+](CCCN1CCOCC1)Cc1cc(Br)ccc1F ZINC000608494020 506586549 /nfs/dbraw/zinc/58/65/49/506586549.db2.gz KHERCNOLGZZDHK-UHFFFAOYSA-N 1 1 371.294 3.299 20 30 FGEDMO C=CC[N@H+](CCCN1CCOCC1)Cc1cc(Br)ccc1F ZINC000608494020 506586553 /nfs/dbraw/zinc/58/65/53/506586553.db2.gz KHERCNOLGZZDHK-UHFFFAOYSA-N 1 1 371.294 3.299 20 30 FGEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000583116022 506598084 /nfs/dbraw/zinc/59/80/84/506598084.db2.gz LPGAYISBFXVMOG-MRXNPFEDSA-N 1 1 374.504 3.150 20 30 FGEDMO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000589648551 506621105 /nfs/dbraw/zinc/62/11/05/506621105.db2.gz YPVPDOJWCYBTSY-LJQANCHMSA-N 1 1 364.497 3.146 20 30 FGEDMO COc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)cc1C#N ZINC000599819597 506656146 /nfs/dbraw/zinc/65/61/46/506656146.db2.gz MJCDQPMLYHFHOI-MRXNPFEDSA-N 1 1 368.412 3.102 20 30 FGEDMO CCN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596896008 506661860 /nfs/dbraw/zinc/66/18/60/506661860.db2.gz YZFIEPYWJUFWTD-CQSZACIVSA-N 1 1 370.375 3.405 20 30 FGEDMO N#Cc1ccc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000593669518 506721202 /nfs/dbraw/zinc/72/12/02/506721202.db2.gz RVBYITFSHZZRRE-PMACEKPBSA-N 1 1 353.491 3.095 20 30 FGEDMO CCN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029829 506764920 /nfs/dbraw/zinc/76/49/20/506764920.db2.gz NASIAPHOVFHKEN-UHFFFAOYSA-N 1 1 370.541 3.255 20 30 FGEDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000609108678 506777574 /nfs/dbraw/zinc/77/75/74/506777574.db2.gz CSCBDFQEYNGOML-NRFANRHFSA-N 1 1 368.525 3.250 20 30 FGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@H](C(=O)NCc4ccccc4)C3)cc2)CC1 ZINC000597156059 506804362 /nfs/dbraw/zinc/80/43/62/506804362.db2.gz KSMNFCAVMBCPJA-FQEVSTJZSA-N 1 1 359.473 3.380 20 30 FGEDMO CC1CCC(N(C)C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000609195059 506810280 /nfs/dbraw/zinc/81/02/80/506810280.db2.gz QIOUXLORBTUUOX-UHFFFAOYSA-N 1 1 369.509 3.439 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000590421075 506818819 /nfs/dbraw/zinc/81/88/19/506818819.db2.gz WCIMFEYAMBNLJV-UHFFFAOYSA-N 1 1 358.445 3.300 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000590421075 506818828 /nfs/dbraw/zinc/81/88/28/506818828.db2.gz WCIMFEYAMBNLJV-UHFFFAOYSA-N 1 1 358.445 3.300 20 30 FGEDMO C=CCOc1cccc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C2)c1 ZINC000597182190 506819742 /nfs/dbraw/zinc/81/97/42/506819742.db2.gz SZQNFDHKMSJLSP-CABCVRRESA-N 1 1 357.372 3.425 20 30 FGEDMO CCOC(=O)c1[nH]c(C)c(C[NH+]2CCN(c3ccsc3C#N)CC2)c1C ZINC000600177636 506822844 /nfs/dbraw/zinc/82/28/44/506822844.db2.gz KNGXTJCXXMIWCY-UHFFFAOYSA-N 1 1 372.494 3.064 20 30 FGEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000593906376 506827336 /nfs/dbraw/zinc/82/73/36/506827336.db2.gz CNZPNTZCUHSVAS-IFXJQAMLSA-N 1 1 369.852 3.152 20 30 FGEDMO N#Cc1cnn2cc(C[N@@H+]3CCC[C@@H](c4ccc(F)c(F)c4)C3)cnc12 ZINC000600186307 506829166 /nfs/dbraw/zinc/82/91/66/506829166.db2.gz XXQRRZMJAWJEBX-OAHLLOKOSA-N 1 1 353.376 3.259 20 30 FGEDMO N#CC1(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000597206571 506836169 /nfs/dbraw/zinc/83/61/69/506836169.db2.gz ROHJPDSBADYPCT-IHWFROFDSA-N 1 1 367.493 3.009 20 30 FGEDMO Cc1nc(C[NH+]2CCC(CNC(=O)CC3(C#N)CCCCC3)CC2)oc1C ZINC000597211831 506838875 /nfs/dbraw/zinc/83/88/75/506838875.db2.gz NSHKIAVOODMNGK-UHFFFAOYSA-N 1 1 372.513 3.484 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1C ZINC000609333995 506856579 /nfs/dbraw/zinc/85/65/79/506856579.db2.gz KNZXKXTXELNVMS-LJQANCHMSA-N 1 1 365.481 3.084 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1C ZINC000609333995 506856583 /nfs/dbraw/zinc/85/65/83/506856583.db2.gz KNZXKXTXELNVMS-LJQANCHMSA-N 1 1 365.481 3.084 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000593987875 506868284 /nfs/dbraw/zinc/86/82/84/506868284.db2.gz XGNVUFKJTMJPIL-INIZCTEOSA-N 1 1 353.441 3.124 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000609391254 506873070 /nfs/dbraw/zinc/87/30/70/506873070.db2.gz IZVWCYDIQHKFTC-MRXNPFEDSA-N 1 1 369.494 3.069 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCCC[C@H]2CO)ccc1Cl ZINC000594014802 506882586 /nfs/dbraw/zinc/88/25/86/506882586.db2.gz LEMCUOZVGINREU-KRWDZBQOSA-N 1 1 363.889 3.132 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000609515764 506905566 /nfs/dbraw/zinc/90/55/66/506905566.db2.gz CDEBUXSDOFYAEO-INIZCTEOSA-N 1 1 364.449 3.207 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000609515746 506905782 /nfs/dbraw/zinc/90/57/82/506905782.db2.gz BBYAPRQECBZIJQ-MRXNPFEDSA-N 1 1 364.449 3.350 20 30 FGEDMO N#CCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000590777772 506948266 /nfs/dbraw/zinc/94/82/66/506948266.db2.gz FGTXJRWLVPSCKM-BDTNDASRSA-N 1 1 352.526 3.007 20 30 FGEDMO Cc1cc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(C#N)cc1N(C)C ZINC000594113833 506948512 /nfs/dbraw/zinc/94/85/12/506948512.db2.gz STIPYVYUHXQBRV-FUHWJXTLSA-N 1 1 355.486 3.071 20 30 FGEDMO C[C@H]1C[C@H](CCNC(=O)CC2(C#N)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000597433634 506952520 /nfs/dbraw/zinc/95/25/20/506952520.db2.gz ULOGUPQRCXSJSS-ICSRJNTNSA-N 1 1 369.509 3.114 20 30 FGEDMO C[C@@H]1C[C@H](CCNC(=O)CC2(C#N)CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000597433636 506952576 /nfs/dbraw/zinc/95/25/76/506952576.db2.gz ULOGUPQRCXSJSS-QUCCMNQESA-N 1 1 369.509 3.114 20 30 FGEDMO CCC[C@H]1CN(C(=O)CC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000597478233 506971016 /nfs/dbraw/zinc/97/10/16/506971016.db2.gz HOARZQRQZZLLLV-FQEVSTJZSA-N 1 1 369.509 3.210 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000594216223 507015494 /nfs/dbraw/zinc/01/54/94/507015494.db2.gz KACYVBPMKIHGJA-IYBDPMFKSA-N 1 1 354.498 3.340 20 30 FGEDMO Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597579012 507017339 /nfs/dbraw/zinc/01/73/39/507017339.db2.gz LBORNSXEKFHJNC-CVEARBPZSA-N 1 1 357.454 3.340 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000594238523 507033793 /nfs/dbraw/zinc/03/37/93/507033793.db2.gz GGJMWVMWLYZAGT-JOCHJYFZSA-N 1 1 374.488 3.494 20 30 FGEDMO C[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594243938 507038258 /nfs/dbraw/zinc/03/82/58/507038258.db2.gz KNHFBECXPXFIMX-FTEYMNFISA-N 1 1 372.513 3.218 20 30 FGEDMO C[C@H](CNC(=O)N[C@H](CCCC#N)c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594243938 507038269 /nfs/dbraw/zinc/03/82/69/507038269.db2.gz KNHFBECXPXFIMX-FTEYMNFISA-N 1 1 372.513 3.218 20 30 FGEDMO C[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000597735678 507081410 /nfs/dbraw/zinc/08/14/10/507081410.db2.gz ITMMTOWIURVGTN-HNNXBMFYSA-N 1 1 369.415 3.431 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H]4COC[C@@H]43)sc2C1 ZINC000591040948 507089754 /nfs/dbraw/zinc/08/97/54/507089754.db2.gz HZZNJFCLCLCSMX-CPUCHLNUSA-N 1 1 373.522 3.184 20 30 FGEDMO CCc1ccc([C@H]2CN(C(=O)[C@@H](C)Cc3ccc(C#N)cc3)CC[NH2+]2)cc1 ZINC000594355635 507091424 /nfs/dbraw/zinc/09/14/24/507091424.db2.gz BZJOZWNWKCJZFG-HTAPYJJXSA-N 1 1 361.489 3.472 20 30 FGEDMO Cn1c2ccc(NC[C@@H](O)CC3(C#N)CCOCC3)cc2[nH+]c1C(C)(C)C ZINC000600742714 507095071 /nfs/dbraw/zinc/09/50/71/507095071.db2.gz NHBPPRFNUYTXFP-INIZCTEOSA-N 1 1 370.497 3.354 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000591065881 507097624 /nfs/dbraw/zinc/09/76/24/507097624.db2.gz FSTUASXWVAPAOC-FDFHNCONSA-N 1 1 359.473 3.395 20 30 FGEDMO COc1cc(C#N)ccc1OCCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000610133267 507111760 /nfs/dbraw/zinc/11/17/60/507111760.db2.gz JOELDVBJPQFSKS-SFHVURJKSA-N 1 1 365.477 3.152 20 30 FGEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC1(C#N)CCOCC1 ZINC000597808825 507114206 /nfs/dbraw/zinc/11/42/06/507114206.db2.gz NLRUSTZIBNWYFM-IPMKNSEASA-N 1 1 369.509 3.207 20 30 FGEDMO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000594445343 507137659 /nfs/dbraw/zinc/13/76/59/507137659.db2.gz DGLKHZMJFLUHKD-QZTJIDSGSA-N 1 1 362.905 3.004 20 30 FGEDMO COC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1C#N ZINC000584090964 507146366 /nfs/dbraw/zinc/14/63/66/507146366.db2.gz OOSKOHHEJFQUOF-HXUWFJFHSA-N 1 1 364.445 3.338 20 30 FGEDMO N#Cc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000597891293 507158311 /nfs/dbraw/zinc/15/83/11/507158311.db2.gz XYJBHMCKIAECCQ-JOCHJYFZSA-N 1 1 361.489 3.172 20 30 FGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000613579972 507165495 /nfs/dbraw/zinc/16/54/95/507165495.db2.gz KMUDXZIJNADJNR-PZJWPPBQSA-N 1 1 356.514 3.478 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cccc(-n3cccn3)c2C#N)C1 ZINC000594554061 507182692 /nfs/dbraw/zinc/18/26/92/507182692.db2.gz IEZPQOIKKIUABA-LJQANCHMSA-N 1 1 357.461 3.455 20 30 FGEDMO C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000610347694 507205833 /nfs/dbraw/zinc/20/58/33/507205833.db2.gz GFKSYVAEOXAUTL-LSDHHAIUSA-N 1 1 368.506 3.427 20 30 FGEDMO C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1cccc(C#N)c1 ZINC000610347694 507205842 /nfs/dbraw/zinc/20/58/42/507205842.db2.gz GFKSYVAEOXAUTL-LSDHHAIUSA-N 1 1 368.506 3.427 20 30 FGEDMO N#C[C@]1(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCSC1 ZINC000610414580 507231050 /nfs/dbraw/zinc/23/10/50/507231050.db2.gz SMGOLPQUXNWCOX-OAQYLSRUSA-N 1 1 365.502 3.204 20 30 FGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000610451827 507244631 /nfs/dbraw/zinc/24/46/31/507244631.db2.gz KMQRSQIACWNEJX-SFHVURJKSA-N 1 1 362.477 3.093 20 30 FGEDMO C[N@H+](Cc1cc2ccccc2o1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610476673 507255336 /nfs/dbraw/zinc/25/53/36/507255336.db2.gz FWIPVBUKYZLFCZ-GOSISDBHSA-N 1 1 350.418 3.371 20 30 FGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610585893 507307029 /nfs/dbraw/zinc/30/70/29/507307029.db2.gz WCUSEWGJYPBLCE-NQSCKRDGSA-N 1 1 350.462 3.370 20 30 FGEDMO N#CC1(c2ccc(C[NH2+]CCN3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000594917949 507313056 /nfs/dbraw/zinc/31/30/56/507313056.db2.gz MMCRSHIXGZZHFD-UHFFFAOYSA-N 1 1 374.532 3.149 20 30 FGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000584408522 507330583 /nfs/dbraw/zinc/33/05/83/507330583.db2.gz HBCVONRYRJNPCZ-DOTOQJQBSA-N 1 1 371.481 3.187 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000610706781 507356180 /nfs/dbraw/zinc/35/61/80/507356180.db2.gz XEPJLKKPILFBLM-NRFANRHFSA-N 1 1 366.436 3.421 20 30 FGEDMO COCC(C)(C)[NH+]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000591800748 507364930 /nfs/dbraw/zinc/36/49/30/507364930.db2.gz GKCWWRQIHBTANP-UHFFFAOYSA-N 1 1 370.280 3.048 20 30 FGEDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000598342429 507385411 /nfs/dbraw/zinc/38/54/11/507385411.db2.gz NDTHIAKSPUICKT-HXUWFJFHSA-N 1 1 363.461 3.351 20 30 FGEDMO CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614168488 507393316 /nfs/dbraw/zinc/39/33/16/507393316.db2.gz DWBCKPVEDQBVGT-NRFANRHFSA-N 1 1 354.542 3.088 20 30 FGEDMO CC(C)N1CCN([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000614168488 507393330 /nfs/dbraw/zinc/39/33/30/507393330.db2.gz DWBCKPVEDQBVGT-NRFANRHFSA-N 1 1 354.542 3.088 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000595289754 507448891 /nfs/dbraw/zinc/44/88/91/507448891.db2.gz RJOPXOFIVXNXEY-UHFFFAOYSA-N 1 1 368.412 3.313 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000610988047 507469255 /nfs/dbraw/zinc/46/92/55/507469255.db2.gz LGENREUMSRZYHR-QGZVFWFLSA-N 1 1 361.445 3.032 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000610988047 507469264 /nfs/dbraw/zinc/46/92/64/507469264.db2.gz LGENREUMSRZYHR-QGZVFWFLSA-N 1 1 361.445 3.032 20 30 FGEDMO N#Cc1cnccc1CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000592100520 507483463 /nfs/dbraw/zinc/48/34/63/507483463.db2.gz XUOSJKJXBWGXQX-QGZVFWFLSA-N 1 1 350.470 3.499 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598560856 507487998 /nfs/dbraw/zinc/48/79/98/507487998.db2.gz ODALHECFBRVIQN-GHTZIAJQSA-N 1 1 369.509 3.200 20 30 FGEDMO C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC000611080711 507507882 /nfs/dbraw/zinc/50/78/82/507507882.db2.gz MITLNNJRTIABPU-HXUWFJFHSA-N 1 1 354.475 3.341 20 30 FGEDMO C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC000611080711 507507889 /nfs/dbraw/zinc/50/78/89/507507889.db2.gz MITLNNJRTIABPU-HXUWFJFHSA-N 1 1 354.475 3.341 20 30 FGEDMO N#CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000592151489 507510491 /nfs/dbraw/zinc/51/04/91/507510491.db2.gz MLRJASYTEWGCJR-NRFANRHFSA-N 1 1 365.433 3.158 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000598596192 507512933 /nfs/dbraw/zinc/51/29/33/507512933.db2.gz JEFHDAZJRYDTPM-OWCLPIDISA-N 1 1 356.388 3.114 20 30 FGEDMO COC(=O)c1cccc(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1C#N ZINC000611126777 507527251 /nfs/dbraw/zinc/52/72/51/507527251.db2.gz VARAFSZYELGSOS-IBGZPJMESA-N 1 1 363.461 3.051 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c1 ZINC000592183762 507528092 /nfs/dbraw/zinc/52/80/92/507528092.db2.gz WRNZXAMUOFMPDV-LJQANCHMSA-N 1 1 369.509 3.441 20 30 FGEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2c(C#N)cnc3c(F)ccc(F)c32)C1 ZINC000611133199 507528623 /nfs/dbraw/zinc/52/86/23/507528623.db2.gz HENJKJPNQPLJNS-KRWDZBQOSA-N 1 1 350.372 3.405 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C(F)F)C2CCCCC2)cc1 ZINC000598650353 507535069 /nfs/dbraw/zinc/53/50/69/507535069.db2.gz RPMKMGHSAFXGAD-FUHWJXTLSA-N 1 1 352.425 3.296 20 30 FGEDMO CC(C)n1cc(C2=CCC[N@@H+](CCOc3cccc(C#N)c3)CC2)nn1 ZINC000595519307 507541746 /nfs/dbraw/zinc/54/17/46/507541746.db2.gz WROOEBWNIADQLP-UHFFFAOYSA-N 1 1 351.454 3.289 20 30 FGEDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595519988 507541860 /nfs/dbraw/zinc/54/18/60/507541860.db2.gz VVILGIGSMKUKNT-NRFANRHFSA-N 1 1 366.465 3.357 20 30 FGEDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595519988 507541862 /nfs/dbraw/zinc/54/18/62/507541862.db2.gz VVILGIGSMKUKNT-NRFANRHFSA-N 1 1 366.465 3.357 20 30 FGEDMO COc1ccc([C@H](CNCc2cccc(F)c2C#N)[NH+](C)C)cc1OC ZINC000601997075 507545578 /nfs/dbraw/zinc/54/55/78/507545578.db2.gz KXAJQPSPDFBDBJ-SFHVURJKSA-N 1 1 357.429 3.107 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C ZINC000611225359 507569318 /nfs/dbraw/zinc/56/93/18/507569318.db2.gz KQSSNCKRBRBXEU-LSDHHAIUSA-N 1 1 374.554 3.242 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@@H](CO)Cc1ccccc1 ZINC000595593557 507579267 /nfs/dbraw/zinc/57/92/67/507579267.db2.gz WFIPAPYVWUIWBY-QGZVFWFLSA-N 1 1 359.267 3.356 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)[C@H](CO)Cc1ccccc1 ZINC000595593556 507580147 /nfs/dbraw/zinc/58/01/47/507580147.db2.gz WFIPAPYVWUIWBY-KRWDZBQOSA-N 1 1 359.267 3.356 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](CO)Cc1ccccc1 ZINC000595595622 507582057 /nfs/dbraw/zinc/58/20/57/507582057.db2.gz KAFYRPRYAHIMPO-SFHVURJKSA-N 1 1 371.868 3.076 20 30 FGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3cccnc3)CC2)cc1Cl ZINC000611258460 507585555 /nfs/dbraw/zinc/58/55/55/507585555.db2.gz RAUWYIZYIIXCOW-UHFFFAOYSA-N 1 1 354.841 3.425 20 30 FGEDMO C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611521 507589983 /nfs/dbraw/zinc/58/99/83/507589983.db2.gz KFTOAPXYDGNFMT-JKSUJKDBSA-N 1 1 363.889 3.191 20 30 FGEDMO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000595614302 507591592 /nfs/dbraw/zinc/59/15/92/507591592.db2.gz KASROYOLAYVDMC-BBRMVZONSA-N 1 1 351.372 3.436 20 30 FGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)C1 ZINC000595614302 507591600 /nfs/dbraw/zinc/59/16/00/507591600.db2.gz KASROYOLAYVDMC-BBRMVZONSA-N 1 1 351.372 3.436 20 30 FGEDMO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCc2ccccc21 ZINC000595631528 507602502 /nfs/dbraw/zinc/60/25/02/507602502.db2.gz JNSOYNHSEPOSMD-UHFFFAOYSA-N 1 1 368.502 3.168 20 30 FGEDMO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CCc2ccccc21 ZINC000595631528 507602506 /nfs/dbraw/zinc/60/25/06/507602506.db2.gz JNSOYNHSEPOSMD-UHFFFAOYSA-N 1 1 368.502 3.168 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000595639619 507609459 /nfs/dbraw/zinc/60/94/59/507609459.db2.gz ZJMXQHBGZHSXMV-PKOBYXMFSA-N 1 1 357.498 3.064 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000595639619 507609464 /nfs/dbraw/zinc/60/94/64/507609464.db2.gz ZJMXQHBGZHSXMV-PKOBYXMFSA-N 1 1 357.498 3.064 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000585756290 507617088 /nfs/dbraw/zinc/61/70/88/507617088.db2.gz RHTXCFXMESNGBJ-UGKGYDQZSA-N 1 1 369.509 3.441 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)Cc2c(C#N)c(C)nn2-c2ccccc2)C[C@H]1C ZINC000611348507 507633786 /nfs/dbraw/zinc/63/37/86/507633786.db2.gz ZHSJYMVSCGWYOW-APWZRJJASA-N 1 1 351.498 3.357 20 30 FGEDMO Cc1ccc(C[NH+]2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(C)n1 ZINC000595730658 507651577 /nfs/dbraw/zinc/65/15/77/507651577.db2.gz DFEFJKKDIKCDLP-UHFFFAOYSA-N 1 1 372.476 3.282 20 30 FGEDMO N#CCCN(C(=O)C[NH+]1CCC([C@@H]2CCCCO2)CC1)c1ccccc1 ZINC000595786219 507683054 /nfs/dbraw/zinc/68/30/54/507683054.db2.gz GVGAGAANPSKKDQ-FQEVSTJZSA-N 1 1 355.482 3.214 20 30 FGEDMO C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H]1C(=O)OC(C)(C)C ZINC000592517024 507689942 /nfs/dbraw/zinc/68/99/42/507689942.db2.gz PBTZECCUQQLGTD-PBHICJAKSA-N 1 1 354.454 3.006 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H]1C(=O)OC(C)(C)C ZINC000592517024 507689949 /nfs/dbraw/zinc/68/99/49/507689949.db2.gz PBTZECCUQQLGTD-PBHICJAKSA-N 1 1 354.454 3.006 20 30 FGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000592524432 507694853 /nfs/dbraw/zinc/69/48/53/507694853.db2.gz XOWINEWBJRCNLY-HXUWFJFHSA-N 1 1 364.474 3.451 20 30 FGEDMO CCCC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000611500508 507708152 /nfs/dbraw/zinc/70/81/52/507708152.db2.gz YXWUUXVYWJAGDP-UHFFFAOYSA-N 1 1 364.287 3.201 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839538 507708847 /nfs/dbraw/zinc/70/88/47/507708847.db2.gz HDPMDDGOGYXILC-FQEVSTJZSA-N 1 1 351.454 3.053 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839538 507708849 /nfs/dbraw/zinc/70/88/49/507708849.db2.gz HDPMDDGOGYXILC-FQEVSTJZSA-N 1 1 351.454 3.053 20 30 FGEDMO N#Cc1cccc(CNC(=O)C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c1 ZINC000595880205 507724482 /nfs/dbraw/zinc/72/44/82/507724482.db2.gz ZFWWQNDUOCBAFC-UHFFFAOYSA-N 1 1 373.456 3.115 20 30 FGEDMO COC1CC[NH+](CCNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000587993693 507727793 /nfs/dbraw/zinc/72/77/93/507727793.db2.gz AMCDYILVICSPFG-UHFFFAOYSA-N 1 1 372.694 3.497 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1cccc(C#N)n1 ZINC000592661649 507752237 /nfs/dbraw/zinc/75/22/37/507752237.db2.gz KIJLIGFEZJNDOE-INIZCTEOSA-N 1 1 364.449 3.459 20 30 FGEDMO C=CC[N@H+](CCCc1cccc(OC)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735419644 599130292 /nfs/dbraw/zinc/13/02/92/599130292.db2.gz YOFCGHCQMSYPSO-UHFFFAOYSA-N 1 1 363.465 3.496 20 30 FGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000735426295 598683023 /nfs/dbraw/zinc/68/30/23/598683023.db2.gz OYMNWSAVJZIDHI-UHFFFAOYSA-N 1 1 368.372 3.102 20 30 FGEDMO C[NH+](C)[C@H](CNC(=O)NCC#Cc1ccccc1)c1ccccc1Cl ZINC000047993595 695871916 /nfs/dbraw/zinc/87/19/16/695871916.db2.gz FZFUGVCCOKYEMM-LJQANCHMSA-N 1 1 355.869 3.294 20 30 FGEDMO C#CCOc1ccccc1C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000092149252 700432150 /nfs/dbraw/zinc/43/21/50/700432150.db2.gz FBNWLHKPNCEACN-UHFFFAOYSA-N 1 1 354.475 3.108 20 30 FGEDMO 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/nfs/dbraw/zinc/13/17/56/730131756.db2.gz JKIAKPBROATCFR-UHFFFAOYSA-N 1 1 359.417 3.418 20 30 FGEDMO C[C@]1(NC(=O)c2ccc(C#N)c(Cl)n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000844966445 730796581 /nfs/dbraw/zinc/79/65/81/730796581.db2.gz YCTVBOXCYVIMTI-IBGZPJMESA-N 1 1 354.841 3.001 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCC(NCc3ccnc(Cl)c3F)CC2)c1 ZINC000846115885 730930096 /nfs/dbraw/zinc/93/00/96/730930096.db2.gz PZAAOYOOWBJELK-UHFFFAOYSA-N 1 1 358.848 3.500 20 30 FGEDMO CN(C)C(NCc1ccccc1)=[NH+]CC1(N2CCSCC2)CCCC1 ZINC000849069118 731225786 /nfs/dbraw/zinc/22/57/86/731225786.db2.gz OAXOAMMVKSMNMA-UHFFFAOYSA-N 1 1 360.571 3.055 20 30 FGEDMO C[C@@H]1CO[C@H](COC(=O)c2cc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000851413703 731457199 /nfs/dbraw/zinc/45/71/99/731457199.db2.gz UXEJIRIZANFWNB-PBHICJAKSA-N 1 1 356.447 3.066 20 30 FGEDMO C[C@@H]1CO[C@H](COC(=O)c2cc(C#N)cs2)C[N@H+]1Cc1ccccc1 ZINC000851413703 731457200 /nfs/dbraw/zinc/45/72/00/731457200.db2.gz UXEJIRIZANFWNB-PBHICJAKSA-N 1 1 356.447 3.066 20 30 FGEDMO C#CCOCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000851721364 731487292 /nfs/dbraw/zinc/48/72/92/731487292.db2.gz IQDJCFPJTPUONS-HXUWFJFHSA-N 1 1 357.475 3.363 20 30 FGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335821 731571686 /nfs/dbraw/zinc/57/16/86/731571686.db2.gz QDEBPPBIZQXWNK-UTUOFQBUSA-N 1 1 367.125 3.141 20 30 FGEDMO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000856782291 732059955 /nfs/dbraw/zinc/05/99/55/732059955.db2.gz ZYIHUHZUABZZNT-VFZGTOFNSA-N 1 1 374.794 3.213 20 30 FGEDMO C#CC[C@@H](CCOC)[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000862548366 732849432 /nfs/dbraw/zinc/84/94/32/732849432.db2.gz DMQGDJTWJBRWJM-HNNXBMFYSA-N 1 1 360.889 3.110 20 30 FGEDMO C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cccc(C#N)c1O ZINC000866227838 733326812 /nfs/dbraw/zinc/32/68/12/733326812.db2.gz GUEZWXOTMZSJAQ-NSHDSACASA-N 1 1 351.328 3.451 20 30 FGEDMO C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1cccc(C#N)c1O ZINC000866227837 733327080 /nfs/dbraw/zinc/32/70/80/733327080.db2.gz GUEZWXOTMZSJAQ-LLVKDONJSA-N 1 1 351.328 3.451 20 30 FGEDMO COc1ccc([C@@H]2CN(C(=O)c3cc(C#N)ccc3Cl)CC[NH2+]2)cc1 ZINC000870145429 733816552 /nfs/dbraw/zinc/81/65/52/733816552.db2.gz NEWDJTRJPHAXDZ-SFHVURJKSA-N 1 1 355.825 3.007 20 30 FGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2cc(Cl)c3c(c2)OCCO3)no1 ZINC000872178864 735601642 /nfs/dbraw/zinc/60/16/42/735601642.db2.gz UUMYRNNHSGPXCH-NSHDSACASA-N 1 1 356.209 3.227 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](OC3CCC3)CC2)C1=O ZINC000872279863 735612531 /nfs/dbraw/zinc/61/25/31/735612531.db2.gz JTUSKHZXCDIMDR-IAGOWNOFSA-N 1 1 359.495 3.149 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](OC3CCC3)CC2)C1=O ZINC000872279863 735612536 /nfs/dbraw/zinc/61/25/36/735612536.db2.gz JTUSKHZXCDIMDR-IAGOWNOFSA-N 1 1 359.495 3.149 20 30 FGEDMO C[C@@]12CN(C(=O)c3ccc(C#N)s3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000874510966 735885004 /nfs/dbraw/zinc/88/50/04/735885004.db2.gz JZKILVYIPOBJJY-OXJNMPFZSA-N 1 1 351.475 3.214 20 30 FGEDMO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(N2CCOC2=O)cc1 ZINC000876971548 736169695 /nfs/dbraw/zinc/16/96/95/736169695.db2.gz BBFLWMDUSJUYNQ-LBPRGKRZSA-N 1 1 356.813 3.414 20 30 FGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c1 ZINC000877035911 736178736 /nfs/dbraw/zinc/17/87/36/736178736.db2.gz BLAUWGOPYVTEMS-CABCVRRESA-N 1 1 369.774 3.231 20 30 FGEDMO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877115039 736189196 /nfs/dbraw/zinc/18/91/96/736189196.db2.gz HRJDKIAOMXQOTR-CQSZACIVSA-N 1 1 355.873 3.317 20 30 FGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877167875 736194256 /nfs/dbraw/zinc/19/42/56/736194256.db2.gz LVBYAJLACXEAFJ-JSGCOSHPSA-N 1 1 364.877 3.342 20 30 FGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877167875 736194261 /nfs/dbraw/zinc/19/42/61/736194261.db2.gz LVBYAJLACXEAFJ-JSGCOSHPSA-N 1 1 364.877 3.342 20 30 FGEDMO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877193737 736197072 /nfs/dbraw/zinc/19/70/72/736197072.db2.gz NQFFJCYKZFEUBM-UHFFFAOYSA-N 1 1 362.905 3.467 20 30 FGEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878209613 736789484 /nfs/dbraw/zinc/78/94/84/736789484.db2.gz HWESEOPIXWPZQP-AWEZNQCLSA-N 1 1 350.413 3.371 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1cc(Br)no1 ZINC000878727818 736912043 /nfs/dbraw/zinc/91/20/43/736912043.db2.gz DGBPUUMYRYRHPP-GWCFXTLKSA-N 1 1 350.216 3.035 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC000879654829 737024220 /nfs/dbraw/zinc/02/42/20/737024220.db2.gz ODHAWGYUDZLCIH-HNAYVOBHSA-N 1 1 353.507 3.178 20 30 FGEDMO Cc1csc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000880009259 737099369 /nfs/dbraw/zinc/09/93/69/737099369.db2.gz MRRHXJBQGCIKDQ-MRXNPFEDSA-N 1 1 354.479 3.188 20 30 FGEDMO Cc1csc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)n1 ZINC000880009259 737099376 /nfs/dbraw/zinc/09/93/76/737099376.db2.gz MRRHXJBQGCIKDQ-MRXNPFEDSA-N 1 1 354.479 3.188 20 30 FGEDMO Cc1nccnc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000880103993 737120390 /nfs/dbraw/zinc/12/03/90/737120390.db2.gz HRIYOGSHXIJYQP-AWEZNQCLSA-N 1 1 357.845 3.036 20 30 FGEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886249085 739236519 /nfs/dbraw/zinc/23/65/19/739236519.db2.gz CMVNAPOKFFMJBK-DLBZAZTESA-N 1 1 350.503 3.265 20 30 FGEDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n1 ZINC000886698834 739286655 /nfs/dbraw/zinc/28/66/55/739286655.db2.gz NXASMNUWOIUNTK-BXWFABGCSA-N 1 1 362.543 3.149 20 30 FGEDMO C=CC[NH+]1CCC(NCc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892881597 740054669 /nfs/dbraw/zinc/05/46/69/740054669.db2.gz YZGWWWDUTNSJSQ-UHFFFAOYSA-N 1 1 366.303 3.148 20 30 FGEDMO CCOC(=O)c1cnn(C2CC[NH+](Cc3csc(C#N)c3)CC2)c1C ZINC000894389320 742276922 /nfs/dbraw/zinc/27/69/22/742276922.db2.gz QZAQDXWBVHWRLH-UHFFFAOYSA-N 1 1 358.467 3.139 20 30 FGEDMO Cc1cc(Br)c(NC[C@H]2CC[N@@H+]2C2CCOCC2)c(C#N)c1 ZINC000896525348 742561777 /nfs/dbraw/zinc/56/17/77/742561777.db2.gz KYEBQVFGJLIGFT-OAHLLOKOSA-N 1 1 364.287 3.294 20 30 FGEDMO Cc1cc(Br)c(NC[C@H]2CC[N@H+]2C2CCOCC2)c(C#N)c1 ZINC000896525348 742561782 /nfs/dbraw/zinc/56/17/82/742561782.db2.gz KYEBQVFGJLIGFT-OAHLLOKOSA-N 1 1 364.287 3.294 20 30 FGEDMO COc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1Cn1cccn1 ZINC000903264041 743831925 /nfs/dbraw/zinc/83/19/25/743831925.db2.gz QQVPHGIGIAAVLZ-ZDUSSCGKSA-N 1 1 353.451 3.119 20 30 FGEDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccsc2C#N)C1 ZINC000907331832 744204470 /nfs/dbraw/zinc/20/44/70/744204470.db2.gz LSJBBWBVVZQVMJ-UHFFFAOYSA-N 1 1 355.463 3.001 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)CC1(C)C ZINC000941087242 762174477 /nfs/dbraw/zinc/17/44/77/762174477.db2.gz ISMLXSUMNBYIDO-IWEMJTCJSA-N 1 1 354.922 3.327 20 30 FGEDMO CC[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2CC1 ZINC000946788396 762260082 /nfs/dbraw/zinc/26/00/82/762260082.db2.gz RVAMURNQTNOURB-OAFZBRQQSA-N 1 1 357.523 3.336 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000951699704 762490886 /nfs/dbraw/zinc/49/08/86/762490886.db2.gz LKCSYMWZGJDAHB-OALUTQOASA-N 1 1 362.901 3.008 20 30 FGEDMO N#Cc1cccc([C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C(F)(F)F)c1 ZINC000913782080 757588165 /nfs/dbraw/zinc/58/81/65/757588165.db2.gz JLGVKOZBTBESRZ-JYJNAYRXSA-N 1 1 351.372 3.295 20 30 FGEDMO CN(c1ccccc1CN=Nc1ccc(Cl)nn1)C1CC[NH+](C)CC1 ZINC000915938886 758006972 /nfs/dbraw/zinc/00/69/72/758006972.db2.gz GCQMVFQFPVRWSI-UHFFFAOYSA-N 1 1 358.877 3.106 20 30 FGEDMO N#CC1(CCCC[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)CCC1 ZINC000930643598 760662332 /nfs/dbraw/zinc/66/23/32/760662332.db2.gz WVLSPHBCYIHSIF-CABCVRRESA-N 1 1 357.420 3.193 20 30 FGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1 ZINC000931616243 760912757 /nfs/dbraw/zinc/91/27/57/760912757.db2.gz PUIKEQZDHVNEGD-CJNGLKHVSA-N 1 1 354.372 3.038 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913162 761002549 /nfs/dbraw/zinc/00/25/49/761002549.db2.gz HOWCMKGWOMUKET-ABAIWWIYSA-N 1 1 355.335 3.252 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913162 761002562 /nfs/dbraw/zinc/00/25/62/761002562.db2.gz HOWCMKGWOMUKET-ABAIWWIYSA-N 1 1 355.335 3.252 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1C(F)(F)F ZINC000931982242 761026429 /nfs/dbraw/zinc/02/64/29/761026429.db2.gz QNFKCQDOPDFJJY-YIYPIFLZSA-N 1 1 361.408 3.456 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1C(F)(F)F ZINC000931982242 761026441 /nfs/dbraw/zinc/02/64/41/761026441.db2.gz QNFKCQDOPDFJJY-YIYPIFLZSA-N 1 1 361.408 3.456 20 30 FGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000932069398 761043066 /nfs/dbraw/zinc/04/30/66/761043066.db2.gz RFOSEQPONXAOSG-GVDBMIGSSA-N 1 1 350.388 3.082 20 30 FGEDMO N#CCC[C@@H](C#N)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000932069398 761043080 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C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1 ZINC000121218045 494652437 /nfs/dbraw/zinc/65/24/37/494652437.db2.gz GOYJDRJDNGWJPQ-SFHVURJKSA-N 1 1 363.461 3.326 20 30 FGEDMO N#Cc1ccc([C@@H](S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(N)=O)cc1 ZINC000580326346 505733522 /nfs/dbraw/zinc/73/35/22/505733522.db2.gz OMIUKMDIBNAATF-VQTJNVASSA-N 1 1 365.502 3.482 20 30 FGEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000574264896 505733568 /nfs/dbraw/zinc/73/35/68/505733568.db2.gz QXMDRKCKVWLFQX-LEWJYISDSA-N 1 1 369.896 3.126 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)CSCC#N)[C@@H]1c1cccc(Cl)c1 ZINC000131625843 494678909 /nfs/dbraw/zinc/67/89/09/494678909.db2.gz NQURBEXNPURKCF-PBHICJAKSA-N 1 1 351.903 3.096 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc(OC)c1O ZINC000092706165 494718342 /nfs/dbraw/zinc/71/83/42/494718342.db2.gz YIGXKUDHTUMVSA-INIZCTEOSA-N 1 1 360.498 3.114 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)o1 ZINC000092708974 494723802 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C[C@@H]1C[C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)C[N@H+]1Cc1ccccc1 ZINC000132313891 494854824 /nfs/dbraw/zinc/85/48/24/494854824.db2.gz RZCQQFCZAHYOFO-PBHICJAKSA-N 1 1 369.415 3.477 20 30 FGEDMO COc1ccc(OCC[N@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000126892454 494857375 /nfs/dbraw/zinc/85/73/75/494857375.db2.gz GNUXHSSZHGGIQH-CQSZACIVSA-N 1 1 371.437 3.115 20 30 FGEDMO COc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000126892454 494857378 /nfs/dbraw/zinc/85/73/78/494857378.db2.gz GNUXHSSZHGGIQH-CQSZACIVSA-N 1 1 371.437 3.115 20 30 FGEDMO OCC[N@@H+](CCOCC(F)(F)F)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000093320000 494869033 /nfs/dbraw/zinc/86/90/33/494869033.db2.gz SVHJXBCCTMYGFS-UHFFFAOYSA-N 1 1 363.273 3.218 20 30 FGEDMO C=C(C)CN(CC)C(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000121884295 494882113 /nfs/dbraw/zinc/88/21/13/494882113.db2.gz OYIOKBCZYXZIOR-VQTJNVASSA-N 1 1 359.514 3.274 20 30 FGEDMO C=C(C)CN(CC)C(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000121884295 494882116 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495299933 /nfs/dbraw/zinc/29/99/33/495299933.db2.gz OZUCLRZQTPKOLO-OXQOHEQNSA-N 1 1 355.482 3.096 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000113505762 495308229 /nfs/dbraw/zinc/30/82/29/495308229.db2.gz YJGFYJWNLVNCKL-NRFANRHFSA-N 1 1 366.461 3.110 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CNc2ccc(C#N)cc2)C1 ZINC000113898633 495334674 /nfs/dbraw/zinc/33/46/74/495334674.db2.gz TZEORYVLQLJPQS-HKUYNNGSSA-N 1 1 354.498 3.083 20 30 FGEDMO C=CCNc1ncc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000136057914 495353181 /nfs/dbraw/zinc/35/31/81/495353181.db2.gz XXPPZQDRSDHGGM-CQSZACIVSA-N 1 1 360.483 3.291 20 30 FGEDMO COCC[N@@H+](C)CCOc1cccc(CNc2ncc(C#N)cc2Cl)c1 ZINC000114709409 495412837 /nfs/dbraw/zinc/41/28/37/495412837.db2.gz LAUQBJQFRQXHMN-UHFFFAOYSA-N 1 1 374.872 3.176 20 30 FGEDMO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000114715870 495415012 /nfs/dbraw/zinc/41/50/12/495415012.db2.gz JVDNDJCWVWKBGF-INIZCTEOSA-N 1 1 374.448 3.277 20 30 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IYMROGBWIGJDPH-WMZOPIPTSA-N 1 1 362.539 3.400 20 30 FGEDMO C=C(C)CNC(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000429314623 500050219 /nfs/dbraw/zinc/05/02/19/500050219.db2.gz DAYRXVBKNCEZKQ-SFHVURJKSA-N 1 1 353.470 3.336 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(C#N)cccc1[N+](=O)[O-] ZINC000425236221 500052743 /nfs/dbraw/zinc/05/27/43/500052743.db2.gz POCCPFDHQHMYRU-QGZVFWFLSA-N 1 1 350.422 3.425 20 30 FGEDMO C=CCN(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413882874 500086228 /nfs/dbraw/zinc/08/62/28/500086228.db2.gz QNCGKFPSEAQVAS-UHFFFAOYSA-N 1 1 366.303 3.241 20 30 FGEDMO CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000425472799 500115420 /nfs/dbraw/zinc/11/54/20/500115420.db2.gz IJOCQTQFBGMUHM-AEFFLSMTSA-N 1 1 374.554 3.291 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000425535192 500136214 /nfs/dbraw/zinc/13/62/14/500136214.db2.gz NAQGHYWHYSQFNA-FUHIMQAGSA-N 1 1 357.498 3.263 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000425535192 500136219 /nfs/dbraw/zinc/13/62/19/500136219.db2.gz NAQGHYWHYSQFNA-FUHIMQAGSA-N 1 1 357.498 3.263 20 30 FGEDMO COc1cccc(COC[C@H](O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425534890 500136488 /nfs/dbraw/zinc/13/64/88/500136488.db2.gz MLRSVSRPRDDQEK-OXQOHEQNSA-N 1 1 354.450 3.137 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000425633258 500165162 /nfs/dbraw/zinc/16/51/62/500165162.db2.gz AQBCQIAYDMSBOJ-IXDOHACOSA-N 1 1 372.513 3.148 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000425633258 500165163 /nfs/dbraw/zinc/16/51/63/500165163.db2.gz AQBCQIAYDMSBOJ-IXDOHACOSA-N 1 1 372.513 3.148 20 30 FGEDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@@H]2C1 ZINC000425684933 500181048 /nfs/dbraw/zinc/18/10/48/500181048.db2.gz XTSWTHCMMDXJRD-WMLDXEAASA-N 1 1 356.470 3.293 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000425850871 500205061 /nfs/dbraw/zinc/20/50/61/500205061.db2.gz GXBJSSSCXBSMEK-PMACEKPBSA-N 1 1 363.546 3.121 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCCC[C@H]2O)c1 ZINC000426214179 500248343 /nfs/dbraw/zinc/24/83/43/500248343.db2.gz FBSNXFIEOSCVKO-DFQSSKMNSA-N 1 1 357.498 3.174 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426826166 500326188 /nfs/dbraw/zinc/32/61/88/500326188.db2.gz NWNIWVXUKPQINU-HDICACEKSA-N 1 1 372.513 3.074 20 30 FGEDMO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000422976172 500326261 /nfs/dbraw/zinc/32/62/61/500326261.db2.gz HXJMBYZAGVLLTJ-LDQXTDLNSA-N 1 1 366.484 3.214 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000419394787 500360691 /nfs/dbraw/zinc/36/06/91/500360691.db2.gz ANYWNYDFWJDHGQ-MSOLQXFVSA-N 1 1 352.438 3.131 20 30 FGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3(C#N)CCC3)cc2)C1 ZINC000419417244 500363970 /nfs/dbraw/zinc/36/39/70/500363970.db2.gz XCLRMUYKGPMJMT-KRWDZBQOSA-N 1 1 354.498 3.412 20 30 FGEDMO C=CCC[C@H]1NC(=O)N(Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1=O ZINC000419921452 500407122 /nfs/dbraw/zinc/40/71/22/500407122.db2.gz IFCCJOGVVKETSG-VQIMIIECSA-N 1 1 355.482 3.448 20 30 FGEDMO C=CCn1c(CC2CC2)nnc1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424147517 500460182 /nfs/dbraw/zinc/46/01/82/500460182.db2.gz YCTLHVZVFMSGCN-VQTJNVASSA-N 1 1 363.509 3.127 20 30 FGEDMO C=CCC(C)(C)CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000432080416 500464927 /nfs/dbraw/zinc/46/49/27/500464927.db2.gz OFHRIOAYUUOUGC-KRWDZBQOSA-N 1 1 359.514 3.309 20 30 FGEDMO C=CCC(C)(C)CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000432080416 500464931 /nfs/dbraw/zinc/46/49/31/500464931.db2.gz OFHRIOAYUUOUGC-KRWDZBQOSA-N 1 1 359.514 3.309 20 30 FGEDMO C[C@@H]1[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000582380061 506198855 /nfs/dbraw/zinc/19/88/55/506198855.db2.gz MUQZLZWMMBZXPO-DYESRHJHSA-N 1 1 359.473 3.369 20 30 FGEDMO N#Cc1c(F)cccc1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000428380500 500502932 /nfs/dbraw/zinc/50/29/32/500502932.db2.gz ZCNABLJNYCYCRC-UHFFFAOYSA-N 1 1 371.481 3.330 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000424500006 500511634 /nfs/dbraw/zinc/51/16/34/500511634.db2.gz HQBGWBNZNYELFS-VKQJQLINSA-N 1 1 354.494 3.279 20 30 FGEDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000428483046 500516277 /nfs/dbraw/zinc/51/62/77/500516277.db2.gz NOGWSMZZHVXHCY-JTQLQIEISA-N 1 1 372.284 3.345 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(OC)c1 ZINC000428715628 500547545 /nfs/dbraw/zinc/54/75/45/500547545.db2.gz GSPUJDMNYOLSGI-LZQZEXGQSA-N 1 1 367.436 3.141 20 30 FGEDMO C=CCCn1cc(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nn1 ZINC000424721983 500550429 /nfs/dbraw/zinc/55/04/29/500550429.db2.gz MWROPTMBLFLDQO-HKUYNNGSSA-N 1 1 367.497 3.152 20 30 FGEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](CCO)CC2)c2ccccc21 ZINC000421018743 500556077 /nfs/dbraw/zinc/55/60/77/500556077.db2.gz OUKNKMHKHGYVBR-KRWDZBQOSA-N 1 1 353.466 3.222 20 30 FGEDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000421023407 500556808 /nfs/dbraw/zinc/55/68/08/500556808.db2.gz PRUAJEGBKCGBCE-WBVHZDCISA-N 1 1 371.481 3.187 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@@H]1C ZINC000428799661 500559231 /nfs/dbraw/zinc/55/92/31/500559231.db2.gz KIYLOTGKKNKLGG-IRXDYDNUSA-N 1 1 365.481 3.018 20 30 FGEDMO C=CCC1(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424776333 500561084 /nfs/dbraw/zinc/56/10/84/500561084.db2.gz CCZMQJBIPYMKBV-ICSRJNTNSA-N 1 1 356.510 3.386 20 30 FGEDMO N#Cc1cc2c(nc1NC1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CCOC2 ZINC000582401371 506203281 /nfs/dbraw/zinc/20/32/81/506203281.db2.gz TUADOVYMZMVAAA-SEJPIABJSA-N 1 1 374.488 3.055 20 30 FGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)CCCN1CCC([NH3+])CC1 ZINC000433168131 500638089 /nfs/dbraw/zinc/63/80/89/500638089.db2.gz LLOPAPVGZZZGCU-UHFFFAOYSA-N 1 1 355.935 3.119 20 30 FGEDMO C[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1Cl ZINC000433180893 500640620 /nfs/dbraw/zinc/64/06/20/500640620.db2.gz WGODIAGFHYOQLP-HNAYVOBHSA-N 1 1 369.896 3.281 20 30 FGEDMO C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(C#N)cc1Cl ZINC000433180893 500640623 /nfs/dbraw/zinc/64/06/23/500640623.db2.gz WGODIAGFHYOQLP-HNAYVOBHSA-N 1 1 369.896 3.281 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c(OC(F)F)c1 ZINC000437424287 500643195 /nfs/dbraw/zinc/64/31/95/500643195.db2.gz DARBPLBBIOHJDD-UHFFFAOYSA-N 1 1 359.376 3.037 20 30 FGEDMO N#C[C@H](CCc1ccccc1)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000433217424 500649205 /nfs/dbraw/zinc/64/92/05/500649205.db2.gz AYWICYOADXURIB-NRFANRHFSA-N 1 1 361.489 3.324 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCc1c(F)cccc1Cl ZINC000447727613 500653639 /nfs/dbraw/zinc/65/36/39/500653639.db2.gz CCKRCQFZLOSIIQ-AWEZNQCLSA-N 1 1 373.863 3.284 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCc1c(F)cccc1Cl ZINC000447727613 500653641 /nfs/dbraw/zinc/65/36/41/500653641.db2.gz CCKRCQFZLOSIIQ-AWEZNQCLSA-N 1 1 373.863 3.284 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443030084 500665911 /nfs/dbraw/zinc/66/59/11/500665911.db2.gz YSMJOGHIHJNNHI-ZDUSSCGKSA-N 1 1 369.918 3.000 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000437657163 500677396 /nfs/dbraw/zinc/67/73/96/500677396.db2.gz UBNNQIMHDQKRFC-JBACZVJFSA-N 1 1 371.525 3.104 20 30 FGEDMO C=CCN(CC1CCCCC1)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000433452096 500695921 /nfs/dbraw/zinc/69/59/21/500695921.db2.gz UCQFIKJWNKSXCF-SFHVURJKSA-N 1 1 351.535 3.265 20 30 FGEDMO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437900978 500714758 /nfs/dbraw/zinc/71/47/58/500714758.db2.gz IMPZQUWNUMHOKJ-OAHLLOKOSA-N 1 1 372.419 3.433 20 30 FGEDMO CC(C)(C)c1cn2c([nH+]1)CC[C@H](Nc1ccc(C(F)(F)F)c(C#N)n1)C2 ZINC000443509728 500732228 /nfs/dbraw/zinc/73/22/28/500732228.db2.gz NUGXHHLEWNPIOB-NSHDSACASA-N 1 1 363.387 3.315 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000438063454 500732993 /nfs/dbraw/zinc/73/29/93/500732993.db2.gz CDCPFNOSINRMSR-TYPHKJRUSA-N 1 1 371.525 3.274 20 30 FGEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434356082 500830940 /nfs/dbraw/zinc/83/09/40/500830940.db2.gz SUFAGICRIVYIHD-LJQANCHMSA-N 1 1 357.498 3.410 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(c2ccccc2)CC1 ZINC000439002652 500845984 /nfs/dbraw/zinc/84/59/84/500845984.db2.gz AFSPWLIYSUARDW-UHFFFAOYSA-N 1 1 362.477 3.488 20 30 FGEDMO CCOC(=O)c1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[nH]c1C ZINC000449024166 500901006 /nfs/dbraw/zinc/90/10/06/500901006.db2.gz YMZHDXIHHJWEFG-UHFFFAOYSA-N 1 1 367.449 3.415 20 30 FGEDMO COCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CC[C@@H](C)C1 ZINC000434985806 500919720 /nfs/dbraw/zinc/91/97/20/500919720.db2.gz KQIJWQCMWQCPPT-YLJYHZDGSA-N 1 1 367.497 3.496 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000439693766 500927680 /nfs/dbraw/zinc/92/76/80/500927680.db2.gz HBHLDAACTPNFSW-LJQANCHMSA-N 1 1 359.539 3.418 20 30 FGEDMO N#Cc1cc(F)ccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000435158572 500939222 /nfs/dbraw/zinc/93/92/22/500939222.db2.gz LEUKLTDHHKIRNK-UHFFFAOYSA-N 1 1 358.442 3.151 20 30 FGEDMO CC(C)[C@H](CNc1cccc(Br)c1C#N)[NH+]1CCOCC1 ZINC000439956615 500959212 /nfs/dbraw/zinc/95/92/12/500959212.db2.gz GNDXPORYELASKT-INIZCTEOSA-N 1 1 352.276 3.089 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[N@H+]1C1CC1 ZINC000440917993 501063007 /nfs/dbraw/zinc/06/30/07/501063007.db2.gz YLCJHOHHKPQZFC-GDBMZVCRSA-N 1 1 365.433 3.085 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1Cl ZINC000449744763 501073388 /nfs/dbraw/zinc/07/33/88/501073388.db2.gz JQTUCGZBCMOYHG-HNNXBMFYSA-N 1 1 351.878 3.140 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1Cl ZINC000449744763 501073390 /nfs/dbraw/zinc/07/33/90/501073390.db2.gz JQTUCGZBCMOYHG-HNNXBMFYSA-N 1 1 351.878 3.140 20 30 FGEDMO C=CCC[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000441044703 501079275 /nfs/dbraw/zinc/07/92/75/501079275.db2.gz BBVCHBIJANZFDX-LJQANCHMSA-N 1 1 358.530 3.019 20 30 FGEDMO CCOc1ccc2c(c1)CC[N@H+](CCOc1ccc(C#N)cc1OC)C2 ZINC000441074762 501084341 /nfs/dbraw/zinc/08/43/41/501084341.db2.gz YRVYNAWVHOSNRV-UHFFFAOYSA-N 1 1 352.434 3.403 20 30 FGEDMO CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1C#N)C(=O)N1CCCC1 ZINC000588204496 506234354 /nfs/dbraw/zinc/23/43/54/506234354.db2.gz IAIJDPXVQBYSBS-INIZCTEOSA-N 1 1 364.287 3.057 20 30 FGEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000441322726 501120297 /nfs/dbraw/zinc/12/02/97/501120297.db2.gz HLGVZNDFNZJJKZ-FOIQADDNSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000441322726 501120300 /nfs/dbraw/zinc/12/03/00/501120300.db2.gz HLGVZNDFNZJJKZ-FOIQADDNSA-N 1 1 351.425 3.397 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450462812 501127622 /nfs/dbraw/zinc/12/76/22/501127622.db2.gz JOFWEANBXCKITJ-SFHVURJKSA-N 1 1 365.437 3.352 20 30 FGEDMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)n2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450484183 501132838 /nfs/dbraw/zinc/13/28/38/501132838.db2.gz GSFVTMUPZBXGAK-HKUYNNGSSA-N 1 1 372.419 3.129 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccc(C#N)n2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000450484183 501132839 /nfs/dbraw/zinc/13/28/39/501132839.db2.gz GSFVTMUPZBXGAK-HKUYNNGSSA-N 1 1 372.419 3.129 20 30 FGEDMO C=CCc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1O ZINC000446832340 501169842 /nfs/dbraw/zinc/16/98/42/501169842.db2.gz AVMWFVTXJYFVEZ-UHFFFAOYSA-N 1 1 368.393 3.204 20 30 FGEDMO CO[C@H](Cc1ccccc1)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000450212011 501211741 /nfs/dbraw/zinc/21/17/41/501211741.db2.gz BQHYEIHCUVWPES-HSZRJFAPSA-N 1 1 363.505 3.324 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451002108 501238034 /nfs/dbraw/zinc/23/80/34/501238034.db2.gz RZDGCYVZGUHNMD-RTWAWAEBSA-N 1 1 352.478 3.429 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451326192 501266104 /nfs/dbraw/zinc/26/61/04/501266104.db2.gz CTBVNOZLFZIZFJ-QGZVFWFLSA-N 1 1 360.841 3.264 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000457604029 501266639 /nfs/dbraw/zinc/26/66/39/501266639.db2.gz XKNMXNKERYTWIX-QGZVFWFLSA-N 1 1 367.415 3.181 20 30 FGEDMO C=CCC[C@H](CO)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000457652428 501278166 /nfs/dbraw/zinc/27/81/66/501278166.db2.gz OBMLDVPGTGCERC-FXAWDEMLSA-N 1 1 359.514 3.045 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451460401 501297685 /nfs/dbraw/zinc/29/76/85/501297685.db2.gz RMTFQPSTJFVOQB-OXJNMPFZSA-N 1 1 362.433 3.011 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451460401 501297688 /nfs/dbraw/zinc/29/76/88/501297688.db2.gz RMTFQPSTJFVOQB-OXJNMPFZSA-N 1 1 362.433 3.011 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000455421174 501297919 /nfs/dbraw/zinc/29/79/19/501297919.db2.gz JBZFLOFPOYJKAE-WJMWBRGCSA-N 1 1 371.525 3.320 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000457804620 501312690 /nfs/dbraw/zinc/31/26/90/501312690.db2.gz NCWMVPMQJCEAAK-QNWVGRARSA-N 1 1 368.521 3.482 20 30 FGEDMO CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C ZINC000451540879 501317745 /nfs/dbraw/zinc/31/77/45/501317745.db2.gz LEEQXLHUURGUHC-XJKSGUPXSA-N 1 1 361.511 3.184 20 30 FGEDMO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000453429408 501330323 /nfs/dbraw/zinc/33/03/23/501330323.db2.gz BHGHWPIJYVEWPB-UHFFFAOYSA-N 1 1 357.477 3.115 20 30 FGEDMO CC#CCN(C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000457907770 501332661 /nfs/dbraw/zinc/33/26/61/501332661.db2.gz XUXMKKVCKXBODL-UHFFFAOYSA-N 1 1 367.415 3.335 20 30 FGEDMO Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)cc(C#N)c1[N+](=O)[O-] ZINC000596080520 506247165 /nfs/dbraw/zinc/24/71/65/506247165.db2.gz HKZUPHWYMNVNQZ-UHFFFAOYSA-N 1 1 366.421 3.219 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000451859811 501387396 /nfs/dbraw/zinc/38/73/96/501387396.db2.gz LDNBERPNTWCYMV-SFHVURJKSA-N 1 1 350.466 3.227 20 30 FGEDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000455806587 501390112 /nfs/dbraw/zinc/39/01/12/501390112.db2.gz YOQCHYIGKYZXOU-RHSMWYFYSA-N 1 1 356.470 3.436 20 30 FGEDMO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592806446 506250946 /nfs/dbraw/zinc/25/09/46/506250946.db2.gz CELUPKGNCDOFJQ-WOSRLPQWSA-N 1 1 353.388 3.286 20 30 FGEDMO COC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000452031755 501421857 /nfs/dbraw/zinc/42/18/57/501421857.db2.gz TUOMAJNEYURFJJ-AWEZNQCLSA-N 1 1 361.511 3.328 20 30 FGEDMO C=CC(C)(C)CNC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000454278746 501500124 /nfs/dbraw/zinc/50/01/24/501500124.db2.gz PHGVBSOKWGCDCR-IAGOWNOFSA-N 1 1 359.514 3.307 20 30 FGEDMO C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C[C@H](C)[N@@H+]1C ZINC000454444874 501546695 /nfs/dbraw/zinc/54/66/95/501546695.db2.gz XCTXYBJPGRKJCA-TXEJJXNPSA-N 1 1 370.375 3.056 20 30 FGEDMO C=CC[C@H](C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454524683 501569181 /nfs/dbraw/zinc/56/91/81/501569181.db2.gz MFTNDPQCWRXQLS-ICSRJNTNSA-N 1 1 371.525 3.179 20 30 FGEDMO C=CC(C)(C)CNC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000458987587 501571835 /nfs/dbraw/zinc/57/18/35/501571835.db2.gz MLKONJVQZQZXKK-MRXNPFEDSA-N 1 1 367.534 3.036 20 30 FGEDMO C=CC(C)(C)CNC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000458987587 501571838 /nfs/dbraw/zinc/57/18/38/501571838.db2.gz MLKONJVQZQZXKK-MRXNPFEDSA-N 1 1 367.534 3.036 20 30 FGEDMO CC(C)[C@@]1(C)C[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000459264876 501621169 /nfs/dbraw/zinc/62/11/69/501621169.db2.gz ZUAALCGMSGWUBP-PZJWPPBQSA-N 1 1 354.498 3.210 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000454902908 501652366 /nfs/dbraw/zinc/65/23/66/501652366.db2.gz OMWSTSTWZXDAOF-VQTJNVASSA-N 1 1 371.525 3.322 20 30 FGEDMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000459450359 501655901 /nfs/dbraw/zinc/65/59/01/501655901.db2.gz WBQJAGBKKPFCHF-GFCCVEGCSA-N 1 1 354.376 3.430 20 30 FGEDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000457138375 501657281 /nfs/dbraw/zinc/65/72/81/501657281.db2.gz XRJQZGPOJPKREU-KRWDZBQOSA-N 1 1 367.449 3.285 20 30 FGEDMO N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccccc1COc1ccccc1 ZINC000459467554 501658894 /nfs/dbraw/zinc/65/88/94/501658894.db2.gz QDSXOIKFQAMXFQ-UWJYYQICSA-N 1 1 363.461 3.164 20 30 FGEDMO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@@H]3CCC[C@H]3C#N)ccc2c1 ZINC000459471150 501659533 /nfs/dbraw/zinc/65/95/33/501659533.db2.gz VILMWOFSTWLOPN-PAXLWEDBSA-N 1 1 365.477 3.477 20 30 FGEDMO C[N@H+]1CCC[C@H](CCNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 ZINC000459552618 501675469 /nfs/dbraw/zinc/67/54/69/501675469.db2.gz WDXGFDSAAVFUFE-GFCCVEGCSA-N 1 1 370.375 3.310 20 30 FGEDMO CC(C)C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cnn(C)c1 ZINC000459596867 501683975 /nfs/dbraw/zinc/68/39/75/501683975.db2.gz OJDMSANXOJOWQI-UHFFFAOYSA-N 1 1 359.861 3.042 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cnn(C)c1 ZINC000459596867 501683976 /nfs/dbraw/zinc/68/39/76/501683976.db2.gz OJDMSANXOJOWQI-UHFFFAOYSA-N 1 1 359.861 3.042 20 30 FGEDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1OCCCC#N ZINC000459682262 501698332 /nfs/dbraw/zinc/69/83/32/501698332.db2.gz SKLSQBQOALJXIW-MSOLQXFVSA-N 1 1 356.466 3.379 20 30 FGEDMO Cc1cc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)ncc1C#N ZINC000457535826 501718427 /nfs/dbraw/zinc/71/84/27/501718427.db2.gz QQDFNHFCDBRXED-UHFFFAOYSA-N 1 1 362.477 3.042 20 30 FGEDMO CCCN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CC[N@@H+](C)C1 ZINC000592830162 506269712 /nfs/dbraw/zinc/26/97/12/506269712.db2.gz CONBSGUPVPJDEM-KRWDZBQOSA-N 1 1 367.449 3.287 20 30 FGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000467203518 501735583 /nfs/dbraw/zinc/73/55/83/501735583.db2.gz APOKFBFZUOXSKD-RHSMWYFYSA-N 1 1 352.400 3.294 20 30 FGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ncc(C#N)cc1Cl ZINC000470590426 501737621 /nfs/dbraw/zinc/73/76/21/501737621.db2.gz HKRJXMJWEIZAKZ-SFHVURJKSA-N 1 1 370.884 3.493 20 30 FGEDMO C[C@@H]1[C@H](NC(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000588339607 506272950 /nfs/dbraw/zinc/27/29/50/506272950.db2.gz HUIFBGUMUXNUSC-FOIQADDNSA-N 1 1 366.440 3.160 20 30 FGEDMO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)cc1 ZINC000481557004 501812870 /nfs/dbraw/zinc/81/28/70/501812870.db2.gz UNGOTBOBKMJWRX-OXQOHEQNSA-N 1 1 351.425 3.493 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H](C)c2cccc(Br)c2)C1=O ZINC000467512880 501813404 /nfs/dbraw/zinc/81/34/04/501813404.db2.gz JUVVLNFHUALSAL-BBRMVZONSA-N 1 1 351.288 3.271 20 30 FGEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000460396547 501813651 /nfs/dbraw/zinc/81/36/51/501813651.db2.gz YZQZBUNFKMCTEH-HZPDHXFCSA-N 1 1 359.543 3.425 20 30 FGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470821523 501817813 /nfs/dbraw/zinc/81/78/13/501817813.db2.gz PNWKONYYQJFCMI-ROUUACIJSA-N 1 1 361.461 3.178 20 30 FGEDMO C=CCOc1ccc(C[NH+]2CCN(c3cnccc3C)CC2)cc1OC ZINC000467547180 501822330 /nfs/dbraw/zinc/82/23/30/501822330.db2.gz RGEWTUPNGTYZFB-UHFFFAOYSA-N 1 1 353.466 3.286 20 30 FGEDMO CCc1nnc(NCCc2[nH+]ccn2Cc2ccccc2)c(C#N)c1CC ZINC000467718495 501853337 /nfs/dbraw/zinc/85/33/37/501853337.db2.gz QANODPROSMTPII-UHFFFAOYSA-N 1 1 360.465 3.372 20 30 FGEDMO COc1cc(C)[nH+]c(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC000471025539 501894548 /nfs/dbraw/zinc/89/45/48/501894548.db2.gz MWABAVLALXCBPS-HXUWFJFHSA-N 1 1 370.884 3.435 20 30 FGEDMO Cc1cc[nH+]c(N2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)c1 ZINC000481835598 501895713 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C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000485800576 501943352 /nfs/dbraw/zinc/94/33/52/501943352.db2.gz USLGWFBHGPYQRL-HRAATJIYSA-N 1 1 365.452 3.424 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)C[C@@H]1C ZINC000460920292 501958423 /nfs/dbraw/zinc/95/84/23/501958423.db2.gz BFYIPIWOMYVWPB-IRXDYDNUSA-N 1 1 366.513 3.392 20 30 FGEDMO C[C@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000471244148 501966391 /nfs/dbraw/zinc/96/63/91/501966391.db2.gz LXORMIXFQGPZNI-FXAWDEMLSA-N 1 1 362.477 3.441 20 30 FGEDMO C=CCCC1(C(=O)NCc2ccc(C[NH+]3CCN(CC)CC3)cc2)CC1 ZINC000474904075 501985896 /nfs/dbraw/zinc/98/58/96/501985896.db2.gz AOGKBDMPTOBODE-UHFFFAOYSA-N 1 1 355.526 3.187 20 30 FGEDMO C=CCCOCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471382145 502005970 /nfs/dbraw/zinc/00/59/70/502005970.db2.gz DZIXARBNNXEAHI-OYRHEFFESA-N 1 1 356.510 3.340 20 30 FGEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000486177423 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C=CCOc1c(Br)cc(CN(C)CC(C)(C)C[NH3+])cc1OC ZINC000469854689 502569391 /nfs/dbraw/zinc/56/93/91/502569391.db2.gz XZKHDWVUKJXMNS-UHFFFAOYSA-N 1 1 371.319 3.439 20 30 FGEDMO CC(C)[C@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC[N@H+]1C ZINC000487945586 502575189 /nfs/dbraw/zinc/57/51/89/502575189.db2.gz AQKFNWOUJCDGSD-SJLPKXTDSA-N 1 1 374.554 3.149 20 30 FGEDMO C=CCNC(=O)c1ccc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)nc1 ZINC000480519334 502590200 /nfs/dbraw/zinc/59/02/00/502590200.db2.gz AZKPFTGWJKUSJW-FQEVSTJZSA-N 1 1 364.493 3.320 20 30 FGEDMO C[N@@H+](CCNC(=O)Nc1ncccc1OCCCC#N)C1CCCCC1 ZINC000466620840 502625380 /nfs/dbraw/zinc/62/53/80/502625380.db2.gz WRSRMPHZOYJHDJ-UHFFFAOYSA-N 1 1 359.474 3.150 20 30 FGEDMO CC[N@@H+]1CC[C@@H](Nc2ccc(C#N)c(C)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000488112684 502630933 /nfs/dbraw/zinc/63/09/33/502630933.db2.gz QEZOPJUZGUVJCV-APWZRJJASA-N 1 1 360.383 3.348 20 30 FGEDMO CC[N@H+]1CC[C@@H](Nc2ccc(C#N)c(C)n2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000488112684 502630937 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CC[N@@H+](CCC1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1)CC(C)C ZINC000539099634 504473145 /nfs/dbraw/zinc/47/31/45/504473145.db2.gz KTGZSZBZSGQOPX-OAQYLSRUSA-N 1 1 370.541 3.165 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000548616738 504497647 /nfs/dbraw/zinc/49/76/47/504497647.db2.gz LVTNDLPXQHYKMF-KUHUBIRLSA-N 1 1 353.853 3.462 20 30 FGEDMO N#Cc1cccc(N2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)n1 ZINC000545506472 504510127 /nfs/dbraw/zinc/51/01/27/504510127.db2.gz HGOAZLCLVQLYCR-UHFFFAOYSA-N 1 1 363.852 3.477 20 30 FGEDMO C=CCn1c(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1ccccc1 ZINC000539272115 504516937 /nfs/dbraw/zinc/51/69/37/504516937.db2.gz BXWGQDIJHIZYBP-CALCHBBNSA-N 1 1 356.495 3.086 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2scc(C)c2C#N)cc1 ZINC000529097718 504534559 /nfs/dbraw/zinc/53/45/59/504534559.db2.gz ISSQXCQFVRXORZ-HNNXBMFYSA-N 1 1 370.478 3.333 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2scc(C)c2C#N)cc1 ZINC000529097718 504534563 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362.399 3.335 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)sc2c1CCC2 ZINC000562716969 504920248 /nfs/dbraw/zinc/92/02/48/504920248.db2.gz RZJFVYWYVCJRAQ-OIISXLGYSA-N 1 1 373.522 3.062 20 30 FGEDMO N#Cc1c(NC(=O)C[N@H+]2CCCC[C@@H]2C2(O)CC2)sc2c1CCCCC2 ZINC000556782595 504972480 /nfs/dbraw/zinc/97/24/80/504972480.db2.gz AYTYXSGKDDKMHA-QGZVFWFLSA-N 1 1 373.522 3.207 20 30 FGEDMO N#Cc1c(NC(=O)C[N@@H+]2CCCC[C@@H]2C2(O)CC2)sc2c1CCCCC2 ZINC000556782595 504972484 /nfs/dbraw/zinc/97/24/84/504972484.db2.gz AYTYXSGKDDKMHA-QGZVFWFLSA-N 1 1 373.522 3.207 20 30 FGEDMO N#Cc1ccc(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000565743724 504974544 /nfs/dbraw/zinc/97/45/44/504974544.db2.gz NSLOLICOPLIRPO-LJQANCHMSA-N 1 1 366.534 3.012 20 30 FGEDMO C[C@@H](CCNC(=O)c1cc(C#N)cc(N(C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000560135692 505000704 /nfs/dbraw/zinc/00/07/04/505000704.db2.gz XASNCWQSNXMGAA-KRWDZBQOSA-N 1 1 364.493 3.265 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1)C1CC1 ZINC000550342487 505026836 /nfs/dbraw/zinc/02/68/36/505026836.db2.gz NTGQMUFZMUNNCY-PKTZIBPZSA-N 1 1 359.473 3.443 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1)C1CC1 ZINC000550342487 505026841 /nfs/dbraw/zinc/02/68/41/505026841.db2.gz NTGQMUFZMUNNCY-PKTZIBPZSA-N 1 1 359.473 3.443 20 30 FGEDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1C#N ZINC000550389602 505031494 /nfs/dbraw/zinc/03/14/94/505031494.db2.gz CYUSBPCDKXJRAQ-GOSISDBHSA-N 1 1 352.434 3.118 20 30 FGEDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1C#N ZINC000550389602 505031496 /nfs/dbraw/zinc/03/14/96/505031496.db2.gz CYUSBPCDKXJRAQ-GOSISDBHSA-N 1 1 352.434 3.118 20 30 FGEDMO C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000556966231 505033319 /nfs/dbraw/zinc/03/33/19/505033319.db2.gz WURQIDDLCVNRPC-NVXWUHKLSA-N 1 1 369.484 3.498 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000553889693 505033642 /nfs/dbraw/zinc/03/36/42/505033642.db2.gz VQIHLFKSVYEQDY-CXAGYDPISA-N 1 1 350.304 3.483 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cc(C#N)ccc1Cl ZINC000556976417 505035849 /nfs/dbraw/zinc/03/58/49/505035849.db2.gz GXDQJOOVYLIBTB-KUHUBIRLSA-N 1 1 353.853 3.462 20 30 FGEDMO C=CCn1c([C@H]2CCCCO2)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000560352869 505055810 /nfs/dbraw/zinc/05/58/10/505055810.db2.gz SABSSYQWXYWSMB-GOSISDBHSA-N 1 1 361.534 3.262 20 30 FGEDMO N#Cc1ccc(CNC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000560493795 505103032 /nfs/dbraw/zinc/10/30/32/505103032.db2.gz KLZWWLDORYVFHT-VSKRKVRLSA-N 1 1 359.473 3.443 20 30 FGEDMO C=C[C@@](C)(CC)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557564726 505168435 /nfs/dbraw/zinc/16/84/35/505168435.db2.gz FOOWSIRFALPOMA-UNMCSNQZSA-N 1 1 355.526 3.007 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[N@@H+](C)C(C)(C)C3)sc2C1 ZINC000563546106 505172786 /nfs/dbraw/zinc/17/27/86/505172786.db2.gz YWFPRTGVMIFLIA-AWEZNQCLSA-N 1 1 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372.538 3.045 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000558705883 505469229 /nfs/dbraw/zinc/46/92/29/505469229.db2.gz QGXUMUJSTICMSP-UHFFFAOYSA-N 1 1 367.424 3.134 20 30 FGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ncc(C#N)cc1Cl ZINC000558740386 505479980 /nfs/dbraw/zinc/47/99/80/505479980.db2.gz HWPFBNSAZQPMSJ-UHFFFAOYSA-N 1 1 356.857 3.247 20 30 FGEDMO N#CC1(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)CCCCC1 ZINC000555685322 505491438 /nfs/dbraw/zinc/49/14/38/505491438.db2.gz GYKDXMXFSKJYKE-KRWDZBQOSA-N 1 1 361.873 3.136 20 30 FGEDMO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)CCCCC1 ZINC000555685322 505491443 /nfs/dbraw/zinc/49/14/43/505491443.db2.gz GYKDXMXFSKJYKE-KRWDZBQOSA-N 1 1 361.873 3.136 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562061274 505507449 /nfs/dbraw/zinc/50/74/49/505507449.db2.gz IYTAMNSAAIIAGH-BVSLBCMMSA-N 1 1 369.553 3.253 20 30 FGEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000555773572 505511966 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NDNGRFFCUHPLNM-VQTJNVASSA-N 1 1 354.494 3.327 20 30 FGEDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cc(F)c(Br)cc1F ZINC000599541369 506491737 /nfs/dbraw/zinc/49/17/37/506491737.db2.gz IRCNKCIJXCZFAA-ZJUUUORDSA-N 1 1 374.229 3.138 20 30 FGEDMO CC[N@@H+](CCCNC(=O)COc1ccc(C#N)cc1OC)C1CCCCC1 ZINC000593251792 506495627 /nfs/dbraw/zinc/49/56/27/506495627.db2.gz ULOMBDWXQLHUBF-UHFFFAOYSA-N 1 1 373.497 3.107 20 30 FGEDMO COC(=O)c1cnc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)s1 ZINC000599555670 506499845 /nfs/dbraw/zinc/49/98/45/506499845.db2.gz REHHVPFOOCPJID-UHFFFAOYSA-N 1 1 358.438 3.300 20 30 FGEDMO CCOCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1CCc2ccccc21 ZINC000599625331 506536367 /nfs/dbraw/zinc/53/63/67/506536367.db2.gz IYDLYPQBYFROSF-CTNGQTDRSA-N 1 1 357.498 3.067 20 30 FGEDMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679156 506574756 /nfs/dbraw/zinc/57/47/56/506574756.db2.gz QDPNNYUPXMCWPE-HNNXBMFYSA-N 1 1 365.502 3.146 20 30 FGEDMO C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679156 506574762 /nfs/dbraw/zinc/57/47/62/506574762.db2.gz QDPNNYUPXMCWPE-HNNXBMFYSA-N 1 1 365.502 3.146 20 30 FGEDMO COC[C@H](C)[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCc2ccccc21 ZINC000599683240 506578525 /nfs/dbraw/zinc/57/85/25/506578525.db2.gz OOLVNBJGWPBXFU-PXNSSMCTSA-N 1 1 369.509 3.353 20 30 FGEDMO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599685258 506579855 /nfs/dbraw/zinc/57/98/55/506579855.db2.gz CFTMGXFJZNVFRZ-FQEVSTJZSA-N 1 1 350.462 3.168 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)NCC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000593374273 506583717 /nfs/dbraw/zinc/58/37/17/506583717.db2.gz YHYVXLKQGMQCHC-MJGOQNOKSA-N 1 1 354.498 3.423 20 30 FGEDMO N#Cc1c(F)cc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1F ZINC000596777199 506592041 /nfs/dbraw/zinc/59/20/41/506592041.db2.gz VHUUQKHHSNBQJK-UHFFFAOYSA-N 1 1 355.388 3.015 20 30 FGEDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCCC#N ZINC000599751044 506616613 /nfs/dbraw/zinc/61/66/13/506616613.db2.gz RETZGEQVAYYYTL-GGAORHGYSA-N 1 1 361.489 3.496 20 30 FGEDMO C[C@H](CC#N)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000596840476 506629664 /nfs/dbraw/zinc/62/96/64/506629664.db2.gz IIFFDGCSHYBWJL-KGLIPLIRSA-N 1 1 360.433 3.127 20 30 FGEDMO C[C@H](CC#N)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000596840476 506629666 /nfs/dbraw/zinc/62/96/66/506629666.db2.gz IIFFDGCSHYBWJL-KGLIPLIRSA-N 1 1 360.433 3.127 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(c3nc4c(cc3C#N)CCC4)CC2)cc1 ZINC000603844871 506632563 /nfs/dbraw/zinc/63/25/63/506632563.db2.gz BCSFVFHZUWQDJC-UHFFFAOYSA-N 1 1 362.477 3.163 20 30 FGEDMO C[C@H](CC#N)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000596851762 506637758 /nfs/dbraw/zinc/63/77/58/506637758.db2.gz ANMYJNGFMYRANZ-CYBMUJFWSA-N 1 1 353.388 3.336 20 30 FGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)C1 ZINC000589743978 506641137 /nfs/dbraw/zinc/64/11/37/506641137.db2.gz VNUBOACKZGQFIU-NMLACTOBSA-N 1 1 355.482 3.148 20 30 FGEDMO CN(C(=O)NCC1(C#N)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000596861052 506642254 /nfs/dbraw/zinc/64/22/54/506642254.db2.gz CHNRSPTWTHUIKA-IBGZPJMESA-N 1 1 354.498 3.376 20 30 FGEDMO C=CCCCCNC(=O)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000583216584 506655734 /nfs/dbraw/zinc/65/57/34/506655734.db2.gz OJUSXKXWKCYVCH-SFHVURJKSA-N 1 1 371.525 3.007 20 30 FGEDMO COC[C@H](C)Oc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000596983299 506711995 /nfs/dbraw/zinc/71/19/95/506711995.db2.gz UOFBSDJKDFRJHW-SFHVURJKSA-N 1 1 365.477 3.294 20 30 FGEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@@H](C)C1 ZINC000590049696 506715820 /nfs/dbraw/zinc/71/58/20/506715820.db2.gz SLBDBBXIKCNKBJ-KHYOSLBOSA-N 1 1 364.449 3.016 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCC(NCc3nc4c(s3)CCC4)CC2)c1 ZINC000593693149 506734495 /nfs/dbraw/zinc/73/44/95/506734495.db2.gz QUCSMIRDFIMXHS-UHFFFAOYSA-N 1 1 352.507 3.258 20 30 FGEDMO CCc1cccc2cc(C[N@@H+]3CCN(c4nccnc4C#N)C[C@@H]3C)oc21 ZINC000597028425 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KOAPKLYPPJLJNY-USXIJHARSA-N 1 1 350.466 3.318 20 30 FGEDMO COc1ccc(C)cc1C[NH+]1CCN(CCOc2ccccc2C#N)CC1 ZINC000604271951 506771405 /nfs/dbraw/zinc/77/14/05/506771405.db2.gz XVAUXKLGUABYKR-UHFFFAOYSA-N 1 1 365.477 3.072 20 30 FGEDMO COCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCC1 ZINC000604314983 506785219 /nfs/dbraw/zinc/78/52/19/506785219.db2.gz IFUFAEOKNDVRHB-UHFFFAOYSA-N 1 1 363.889 3.478 20 30 FGEDMO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000609189530 506807198 /nfs/dbraw/zinc/80/71/98/506807198.db2.gz VSKBWTFDOQUFRE-HXUWFJFHSA-N 1 1 356.514 3.472 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000609195407 506810572 /nfs/dbraw/zinc/81/05/72/506810572.db2.gz JWMRKHIGQOENIA-GOSISDBHSA-N 1 1 374.529 3.462 20 30 FGEDMO Cn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000597172821 506812907 /nfs/dbraw/zinc/81/29/07/506812907.db2.gz FTGGUEBUUTUNEL-INIZCTEOSA-N 1 1 366.465 3.374 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000609204486 506812958 /nfs/dbraw/zinc/81/29/58/506812958.db2.gz RBOMBRXSPPTKOT-UYAOXDASSA-N 1 1 354.425 3.121 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)cc1OC ZINC000600166408 506818045 /nfs/dbraw/zinc/81/80/45/506818045.db2.gz BUPAZSSPJAAVEP-TZMCWYRMSA-N 1 1 353.846 3.154 20 30 FGEDMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597181503 506819153 /nfs/dbraw/zinc/81/91/53/506819153.db2.gz IFCWJAMKOQPQGG-ZBFHGGJFSA-N 1 1 366.383 3.415 20 30 FGEDMO Cc1nc(SCC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c(C#N)c(C)c1C ZINC000604440503 506834003 /nfs/dbraw/zinc/83/40/03/506834003.db2.gz FHKKSKHNRGKDNQ-UONOGXRCSA-N 1 1 374.554 3.207 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000604473453 506841233 /nfs/dbraw/zinc/84/12/33/506841233.db2.gz SQPAEIRUIQLTJA-GCJKJVERSA-N 1 1 371.525 3.153 20 30 FGEDMO C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)OC)cc2F)cc1OC ZINC000597221357 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FGEDMO N#Cc1c(NC(=O)C[N@@H+]2CCCCC[C@H]2CO)sc2c1CCCCC2 ZINC000594016822 506884661 /nfs/dbraw/zinc/88/46/61/506884661.db2.gz JWJCPIWPAMUDTE-AWEZNQCLSA-N 1 1 361.511 3.064 20 30 FGEDMO CCc1csc(CC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)n1 ZINC000594020407 506887308 /nfs/dbraw/zinc/88/73/08/506887308.db2.gz XBGKMUXFHVCXIG-UHFFFAOYSA-N 1 1 368.506 3.470 20 30 FGEDMO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000609539141 506912283 /nfs/dbraw/zinc/91/22/83/506912283.db2.gz UKSIYBCGBWWXBI-JOCHJYFZSA-N 1 1 364.493 3.326 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000590758566 506940892 /nfs/dbraw/zinc/94/08/92/506940892.db2.gz QZCIUWDDNGAWDL-UXHICEINSA-N 1 1 367.493 3.214 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000590762342 506943025 /nfs/dbraw/zinc/94/30/25/506943025.db2.gz UDSMQHJSYCSYJX-YLJYHZDGSA-N 1 1 352.434 3.313 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000590762342 506943030 /nfs/dbraw/zinc/94/30/30/506943030.db2.gz UDSMQHJSYCSYJX-YLJYHZDGSA-N 1 1 352.434 3.313 20 30 FGEDMO Cc1cc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(C#N)cc1N(C)C ZINC000594113837 506948367 /nfs/dbraw/zinc/94/83/67/506948367.db2.gz STIPYVYUHXQBRV-WMZOPIPTSA-N 1 1 355.486 3.071 20 30 FGEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000609681724 506973756 /nfs/dbraw/zinc/97/37/56/506973756.db2.gz ULMIVBDWWZICDD-CTNGQTDRSA-N 1 1 368.502 3.282 20 30 FGEDMO C[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)[N@@H+]1CCc2sccc2C1 ZINC000594213263 507012635 /nfs/dbraw/zinc/01/26/35/507012635.db2.gz UCDWMJJETDMUCB-CQSZACIVSA-N 1 1 366.490 3.092 20 30 FGEDMO C[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)[N@H+]1CCc2sccc2C1 ZINC000594213263 507012637 /nfs/dbraw/zinc/01/26/37/507012637.db2.gz UCDWMJJETDMUCB-CQSZACIVSA-N 1 1 366.490 3.092 20 30 FGEDMO N#Cc1ccc2c(c1)CN(C(=O)N[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000594213304 507012939 /nfs/dbraw/zinc/01/29/39/507012939.db2.gz UVNPMLPSZUJMBE-OAQYLSRUSA-N 1 1 360.461 3.248 20 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/nfs/dbraw/zinc/10/83/70/507108370.db2.gz PQHIYRZNYFAMIS-UHFFFAOYSA-N 1 1 362.477 3.477 20 30 FGEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610133377 507112008 /nfs/dbraw/zinc/11/20/08/507112008.db2.gz LMFHFYCFZLCPHV-NSISKUIASA-N 1 1 358.482 3.471 20 30 FGEDMO C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000610160266 507119423 /nfs/dbraw/zinc/11/94/23/507119423.db2.gz HBMMEXCPFXGNGJ-MGPUTAFESA-N 1 1 366.421 3.168 20 30 FGEDMO C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000610160266 507119431 /nfs/dbraw/zinc/11/94/31/507119431.db2.gz HBMMEXCPFXGNGJ-MGPUTAFESA-N 1 1 366.421 3.168 20 30 FGEDMO N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000594440997 507135004 /nfs/dbraw/zinc/13/50/04/507135004.db2.gz KMRAVMFDYVGKDR-ZWKOTPCHSA-N 1 1 362.905 3.004 20 30 FGEDMO N#Cc1cnc2c(F)ccc(F)c2c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610246518 507158361 /nfs/dbraw/zinc/15/83/61/507158361.db2.gz FFMBDZLIYSRPNN-INIZCTEOSA-N 1 1 364.399 3.493 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000597926102 507178401 /nfs/dbraw/zinc/17/84/01/507178401.db2.gz VEXCCIOMHXFRAW-INIZCTEOSA-N 1 1 367.449 3.333 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[N@H+]1C ZINC000610319445 507191633 /nfs/dbraw/zinc/19/16/33/507191633.db2.gz AJBPUVGKNBSYNR-GDBMZVCRSA-N 1 1 365.437 3.350 20 30 FGEDMO C[C@@H]1C[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@@H](C)S1 ZINC000610370655 507217300 /nfs/dbraw/zinc/21/73/00/507217300.db2.gz KYCSHMLCMYRMKI-ZIAGYGMSSA-N 1 1 351.903 3.412 20 30 FGEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610476751 507255446 /nfs/dbraw/zinc/25/54/46/507255446.db2.gz IJFKBPQJOYBJAB-NQIIRXRSSA-N 1 1 353.466 3.058 20 30 FGEDMO C[NH+]1CCN(C(=O)c2ccc(NCc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000594735402 507261540 /nfs/dbraw/zinc/26/15/40/507261540.db2.gz NMSQNBPTVHDNST-UHFFFAOYSA-N 1 1 374.488 3.241 20 30 FGEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000591483458 507267508 /nfs/dbraw/zinc/26/75/08/507267508.db2.gz XUDHAWWDDLKJOS-KRWDZBQOSA-N 1 1 365.437 3.303 20 30 FGEDMO N#Cc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc(C2CC2)n1 ZINC000601165213 507284817 /nfs/dbraw/zinc/28/48/17/507284817.db2.gz KIPPDJKIUSPQBV-QFIPXVFZSA-N 1 1 359.477 3.328 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1Cl ZINC000610572760 507296621 /nfs/dbraw/zinc/29/66/21/507296621.db2.gz LFXYTUJRORADGJ-MRXNPFEDSA-N 1 1 357.845 3.074 20 30 FGEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000584353568 507298489 /nfs/dbraw/zinc/29/84/89/507298489.db2.gz FFCMYJQTXSOOQL-IBGZPJMESA-N 1 1 351.406 3.300 20 30 FGEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000591833876 507384602 /nfs/dbraw/zinc/38/46/02/507384602.db2.gz KESSXGWXMAZEKE-FPOVZHCZSA-N 1 1 354.425 3.469 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000614167519 507392851 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C=C(Br)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245637816 713608905 /nfs/dbraw/zinc/60/89/05/713608905.db2.gz WKSRFDGJGKFSHP-ZIAGYGMSSA-N 1 1 372.694 3.293 20 30 FGEDMO CNC(=O)Cc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)cs1 ZINC000329836809 713833163 /nfs/dbraw/zinc/83/31/63/713833163.db2.gz VHDJNMKZNGYBMI-XLNGHYISSA-N 1 1 365.543 3.424 20 30 FGEDMO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000374678863 713938776 /nfs/dbraw/zinc/93/87/76/713938776.db2.gz LCQQMVWKONCBEX-HOTGVXAUSA-N 1 1 361.511 3.378 20 30 FGEDMO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000374678863 713938778 /nfs/dbraw/zinc/93/87/78/713938778.db2.gz LCQQMVWKONCBEX-HOTGVXAUSA-N 1 1 361.511 3.378 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)[C@H]1c1cccc(Cl)c1 ZINC000375036077 713962192 /nfs/dbraw/zinc/96/21/92/713962192.db2.gz GRBDKBHORIZLJP-RDTXWAMCSA-N 1 1 356.857 3.353 20 30 FGEDMO C=C[C@@H](NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)OC ZINC000619701292 714863311 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C=CCOc1c(Cl)cc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1OC ZINC000628313401 716138033 /nfs/dbraw/zinc/13/80/33/716138033.db2.gz NVCAQEFZRLVJGV-HNNXBMFYSA-N 1 1 366.889 3.402 20 30 FGEDMO CNC(=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000796611636 723646631 /nfs/dbraw/zinc/64/66/31/723646631.db2.gz LJTSASUCBSIBJY-KRWDZBQOSA-N 1 1 357.841 3.209 20 30 FGEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)nc1 ZINC000780556151 724479171 /nfs/dbraw/zinc/47/91/71/724479171.db2.gz UCVGMURINDKRKK-SFHVURJKSA-N 1 1 357.841 3.454 20 30 FGEDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccccc2SCC#N)C1 ZINC000804533062 724525828 /nfs/dbraw/zinc/52/58/28/724525828.db2.gz UFCBBEADRNYYML-UHFFFAOYSA-N 1 1 351.475 3.259 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)CCO)cc1OC ZINC000652046443 718903834 /nfs/dbraw/zinc/90/38/34/718903834.db2.gz SYYSEAHIIYDTAD-LBPRGKRZSA-N 1 1 358.276 3.225 20 30 FGEDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164652901 719317094 /nfs/dbraw/zinc/31/70/94/719317094.db2.gz SYVAHMXHNNIONF-UHFFFAOYSA-N 1 1 372.904 3.203 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C[C@@H](C)O)C2CC2)cc1OC ZINC000656281077 719387639 /nfs/dbraw/zinc/38/76/39/719387639.db2.gz RGWGNBPDFHIYNR-GFCCVEGCSA-N 1 1 370.287 3.368 20 30 FGEDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C#N)nc2C)CC3)cs1 ZINC001164691731 719812415 /nfs/dbraw/zinc/81/24/15/719812415.db2.gz JZMRRIXSSFPHPF-UHFFFAOYSA-N 1 1 368.510 3.057 20 30 FGEDMO C=CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@@H](C)COC ZINC000664209230 720609107 /nfs/dbraw/zinc/60/91/07/720609107.db2.gz CKYIYBOLKZFVER-XYJFISCASA-N 1 1 365.543 3.364 20 30 FGEDMO N#Cc1ccc2ccnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164781042 721405426 /nfs/dbraw/zinc/40/54/26/721405426.db2.gz AJYXYTRHPZOCJP-CALCHBBNSA-N 1 1 361.474 3.131 20 30 FGEDMO N#Cc1ccc2ccnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164781042 721405429 /nfs/dbraw/zinc/40/54/29/721405429.db2.gz AJYXYTRHPZOCJP-CALCHBBNSA-N 1 1 361.474 3.131 20 30 FGEDMO C#CC[N@H+](C[C@H](C)COC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000783565981 724765935 /nfs/dbraw/zinc/76/59/35/724765935.db2.gz AANWIVDOFHIBHV-XJKSGUPXSA-N 1 1 352.272 3.490 20 30 FGEDMO OC[C@]1([N@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc2)CCOC1 ZINC000670988029 721563949 /nfs/dbraw/zinc/56/39/49/721563949.db2.gz RAWVOKWEDKRLPH-OAQYLSRUSA-N 1 1 355.865 3.345 20 30 FGEDMO OC[C@]1([N@@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc2)CCOC1 ZINC000670988029 721563952 /nfs/dbraw/zinc/56/39/52/721563952.db2.gz RAWVOKWEDKRLPH-OAQYLSRUSA-N 1 1 355.865 3.345 20 30 FGEDMO Cc1ccc(C#N)c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165021551 721805507 /nfs/dbraw/zinc/80/55/07/721805507.db2.gz HLZWAIHCBNCPCT-SESVDKBCSA-N 1 1 361.493 3.394 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(CC#N)ccn3)C[C@H]21 ZINC001165028332 721818894 /nfs/dbraw/zinc/81/88/94/721818894.db2.gz XNWKRTZPHBIHLD-HMXCVIKNSA-N 1 1 361.493 3.280 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000678780186 721978357 /nfs/dbraw/zinc/97/83/57/721978357.db2.gz ICYRSLXWLIHCDH-INIZCTEOSA-N 1 1 358.404 3.407 20 30 FGEDMO C=CCSc1ccccc1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000681621194 722214316 /nfs/dbraw/zinc/21/43/16/722214316.db2.gz RBYSCJXTAHTJIY-QGZVFWFLSA-N 1 1 360.523 3.292 20 30 FGEDMO C#Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cn1 ZINC000728860434 722454813 /nfs/dbraw/zinc/45/48/13/722454813.db2.gz OUTHHYYNYQIPHY-LJQANCHMSA-N 1 1 353.853 3.283 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000729811875 722462769 /nfs/dbraw/zinc/46/27/69/722462769.db2.gz FELKOWGMWGKSBI-OAHLLOKOSA-N 1 1 355.356 3.159 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000729811830 722462775 /nfs/dbraw/zinc/46/27/75/722462775.db2.gz CZMDNTPOEQBWTM-QWHCGFSZSA-N 1 1 356.249 3.402 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2nccnc2Cl)c1C ZINC000733079958 722492223 /nfs/dbraw/zinc/49/22/23/722492223.db2.gz YEQQYNKLHRZOKV-MRXNPFEDSA-N 1 1 360.893 3.479 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](OC)C(F)(F)F ZINC000733329216 722495823 /nfs/dbraw/zinc/49/58/23/722495823.db2.gz PUSSLLVEGJDRAU-CYBMUJFWSA-N 1 1 366.177 3.128 20 30 FGEDMO Cc1ncc(CO)c(/C=N\C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1O ZINC000741465309 722546204 /nfs/dbraw/zinc/54/62/04/722546204.db2.gz UESPHFFCQFMEEJ-YPPCLWPPSA-N 1 1 359.495 3.151 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000742060682 722551739 /nfs/dbraw/zinc/55/17/39/722551739.db2.gz UDLZKXPHIKKNLT-SJORKVTESA-N 1 1 351.277 3.264 20 30 FGEDMO C=C(Br)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000749561778 722733046 /nfs/dbraw/zinc/73/30/46/722733046.db2.gz IIFPSOBPKGJGDN-XJKSGUPXSA-N 1 1 366.303 3.105 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1ccc(C#N)cc1OC(F)F ZINC000753118225 722886187 /nfs/dbraw/zinc/88/61/87/722886187.db2.gz HQPFFQLBOHYBFE-LBPRGKRZSA-N 1 1 352.385 3.033 20 30 FGEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1sc(-c2cccnc2)nc1C ZINC000753935645 722918812 /nfs/dbraw/zinc/91/88/12/722918812.db2.gz OYHVAIZHPSIILJ-GASCZTMLSA-N 1 1 354.483 3.098 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000754475298 722939678 /nfs/dbraw/zinc/93/96/78/722939678.db2.gz QXXXKFZEBMHYMW-KBPBESRZSA-N 1 1 353.249 3.031 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000754475298 722939679 /nfs/dbraw/zinc/93/96/79/722939679.db2.gz QXXXKFZEBMHYMW-KBPBESRZSA-N 1 1 353.249 3.031 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000756554316 722966736 /nfs/dbraw/zinc/96/67/36/722966736.db2.gz XHGQRRUICYDFSF-NWDGAFQWSA-N 1 1 356.285 3.255 20 30 FGEDMO N#Cc1cccn(C[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)c1=O ZINC000758195871 722985948 /nfs/dbraw/zinc/98/59/48/722985948.db2.gz XCKVAOWDIUVPAL-QGZVFWFLSA-N 1 1 372.266 3.147 20 30 FGEDMO C#CCn1ccc(C[N@@H+](CCCc2c(F)cccc2Cl)CCOC)n1 ZINC000789760863 723071359 /nfs/dbraw/zinc/07/13/59/723071359.db2.gz LBYIARWHSQCCSW-UHFFFAOYSA-N 1 1 363.864 3.390 20 30 FGEDMO C#CCn1ccc(C[N@H+](CCCc2c(F)cccc2Cl)CCOC)n1 ZINC000789760863 723071363 /nfs/dbraw/zinc/07/13/63/723071363.db2.gz LBYIARWHSQCCSW-UHFFFAOYSA-N 1 1 363.864 3.390 20 30 FGEDMO CC1(C)CC(=NNC(=S)NCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000761261056 723138260 /nfs/dbraw/zinc/13/82/60/723138260.db2.gz LFMURMYFFCFFMJ-UHFFFAOYSA-N 1 1 358.433 3.053 20 30 FGEDMO CC1(C)CC(=NNC(=S)NCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000761261056 723138263 /nfs/dbraw/zinc/13/82/63/723138263.db2.gz LFMURMYFFCFFMJ-UHFFFAOYSA-N 1 1 358.433 3.053 20 30 FGEDMO C=CCNC(=S)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000761830048 723188083 /nfs/dbraw/zinc/18/80/83/723188083.db2.gz MDTGYPOHIYEAMI-UHFFFAOYSA-N 1 1 368.344 3.064 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3ccc(Br)cc3C2)cc1 ZINC000792892874 723378020 /nfs/dbraw/zinc/37/80/20/723378020.db2.gz UADAGHSCCRGGSV-GOSISDBHSA-N 1 1 357.251 3.412 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3ccc(Br)cc3C2)cc1 ZINC000792892874 723378026 /nfs/dbraw/zinc/37/80/26/723378026.db2.gz UADAGHSCCRGGSV-GOSISDBHSA-N 1 1 357.251 3.412 20 30 FGEDMO C[C@]12CC[N@@H+](CCC(=O)Nc3sccc3C#N)C[C@H]1C2(Cl)Cl ZINC000792899890 723379355 /nfs/dbraw/zinc/37/93/55/723379355.db2.gz CHLQSUAJBUFYNB-RISCZKNCSA-N 1 1 358.294 3.464 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000769025137 723674906 /nfs/dbraw/zinc/67/49/06/723674906.db2.gz JCJSIFDXFHTVST-UHFFFAOYSA-N 1 1 358.791 3.320 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccccn3)C2)cc1Cl ZINC000799196034 723997677 /nfs/dbraw/zinc/99/76/77/723997677.db2.gz NPTHQTHKXPMTNG-HNNXBMFYSA-N 1 1 354.841 3.425 20 30 FGEDMO C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000775795826 724062449 /nfs/dbraw/zinc/06/24/49/724062449.db2.gz ZUAPKJGETKDCAO-XEGUGMAKSA-N 1 1 374.790 3.456 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1ccc(C#N)cc1Br ZINC000778029937 724286463 /nfs/dbraw/zinc/28/64/63/724286463.db2.gz ZTSOEBVKTNRZCU-LBPRGKRZSA-N 1 1 365.275 3.194 20 30 FGEDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000778560877 724344926 /nfs/dbraw/zinc/34/49/26/724344926.db2.gz DNXQGVGGBKEIBG-UHFFFAOYSA-N 1 1 351.797 3.031 20 30 FGEDMO C[C@H](C#N)OCC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000801941696 724348672 /nfs/dbraw/zinc/34/86/72/724348672.db2.gz SWVWEFCJSMUFRY-MNOVXSKESA-N 1 1 365.231 3.078 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784483705 724857511 /nfs/dbraw/zinc/85/75/11/724857511.db2.gz KTDQONKPBBXSAO-HNNXBMFYSA-N 1 1 353.388 3.257 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)OCCCSCC#N)cc2)C[C@@H](C)O1 ZINC000805404136 725069431 /nfs/dbraw/zinc/06/94/31/725069431.db2.gz VUKIPXKHLDFLSF-HZPDHXFCSA-N 1 1 362.495 3.099 20 30 FGEDMO CN(C)c1nc(C=[NH+]NC[C@H]2CCSC2)c(Cl)n1-c1ccccc1 ZINC000811658049 725375872 /nfs/dbraw/zinc/37/58/72/725375872.db2.gz BYAWEHZIGCTGBR-CYBMUJFWSA-N 1 1 363.918 3.268 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@H+]2CCOCCC#N)C1 ZINC000815202182 727051993 /nfs/dbraw/zinc/05/19/93/727051993.db2.gz WFVBWFARYHBCKP-IRXDYDNUSA-N 1 1 351.491 3.028 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3nc(C#N)cs3)CC[C@@H]2C1 ZINC000816636161 727183236 /nfs/dbraw/zinc/18/32/36/727183236.db2.gz JRSHVJYANCCXRJ-OKILXGFUSA-N 1 1 362.499 3.094 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3nc(C#N)cs3)CC[C@@H]2C1 ZINC000816636161 727183239 /nfs/dbraw/zinc/18/32/39/727183239.db2.gz JRSHVJYANCCXRJ-OKILXGFUSA-N 1 1 362.499 3.094 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)c1oc2ccc(Br)cc2c1C ZINC000818615168 727317150 /nfs/dbraw/zinc/31/71/50/727317150.db2.gz CNYHEQXVZPCLJT-UHFFFAOYSA-N 1 1 363.255 3.189 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(F)c(Br)c2)n1C ZINC000821039580 729052826 /nfs/dbraw/zinc/05/28/26/729052826.db2.gz SFUYXVACXJUHLF-ALCCZGGFSA-N 1 1 352.207 3.284 20 30 FGEDMO C#CCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)cc1 ZINC000822240457 729156199 /nfs/dbraw/zinc/15/61/99/729156199.db2.gz KDTZVGVCRLKXKK-UHFFFAOYSA-N 1 1 355.463 3.176 20 30 FGEDMO C#CCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)cc1 ZINC000822240457 729156200 /nfs/dbraw/zinc/15/62/00/729156200.db2.gz KDTZVGVCRLKXKK-UHFFFAOYSA-N 1 1 355.463 3.176 20 30 FGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)N[C@H](c2nccs2)c2ccccc2)C1 ZINC000829805913 729513518 /nfs/dbraw/zinc/51/35/18/729513518.db2.gz XTHSEZJXIQJZEQ-LPHOPBHVSA-N 1 1 353.491 3.084 20 30 FGEDMO C=C(Br)CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000836257346 729949968 /nfs/dbraw/zinc/94/99/68/729949968.db2.gz SOZRQNIUBKQQSV-AWEZNQCLSA-N 1 1 366.303 3.059 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000838624091 730131806 /nfs/dbraw/zinc/13/18/06/730131806.db2.gz GSLOYVIRODCBSP-MRXNPFEDSA-N 1 1 356.495 3.098 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000838623301 730131859 /nfs/dbraw/zinc/13/18/59/730131859.db2.gz ZFXYWYWDQDKKHP-SFHVURJKSA-N 1 1 373.547 3.422 20 30 FGEDMO CC#CCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000844354435 730706211 /nfs/dbraw/zinc/70/62/11/730706211.db2.gz JNPKYQHYLZPOFY-BZSNNMDCSA-N 1 1 350.503 3.184 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](CCSc3ccc(F)cc3F)CC2)cn1 ZINC000852000304 731530315 /nfs/dbraw/zinc/53/03/15/731530315.db2.gz SDNORKPIYBBCDY-UHFFFAOYSA-N 1 1 360.433 3.146 20 30 FGEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(CNC(=O)OC(C)(C)C)n1 ZINC000852303526 731567215 /nfs/dbraw/zinc/56/72/15/731567215.db2.gz RTQPKCIXKLRKLG-KBPBESRZSA-N 1 1 350.463 3.319 20 30 FGEDMO C[C@@]1(Cc2ccccc2C(F)(F)F)CCC[N@@H+]1CC(=O)NCCC#N ZINC000852710723 731623038 /nfs/dbraw/zinc/62/30/38/731623038.db2.gz AWWPMHDLJCVSNS-KRWDZBQOSA-N 1 1 353.388 3.132 20 30 FGEDMO C[C@@]1(Cc2ccccc2C(F)(F)F)CCC[N@H+]1CC(=O)NCCC#N ZINC000852710723 731623040 /nfs/dbraw/zinc/62/30/40/731623040.db2.gz AWWPMHDLJCVSNS-KRWDZBQOSA-N 1 1 353.388 3.132 20 30 FGEDMO CC(=[NH+][N-]c1nc2cccnc2s1)c1cccc(OCC[NH+](C)C)c1 ZINC000857219898 732113119 /nfs/dbraw/zinc/11/31/19/732113119.db2.gz UBQQFFZGDRTHRD-UHFFFAOYSA-N 1 1 355.467 3.468 20 30 FGEDMO CCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000861921509 732750174 /nfs/dbraw/zinc/75/01/74/732750174.db2.gz AXWOTDFXNFVDPY-UHFFFAOYSA-N 1 1 353.894 3.427 20 30 FGEDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc4c(C#N)c[nH]c4c3)sc2C1 ZINC000864616055 733082310 /nfs/dbraw/zinc/08/23/10/733082310.db2.gz AEDQZTXILCYHIW-UHFFFAOYSA-N 1 1 351.435 3.126 20 30 FGEDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc4c(C#N)c[nH]c4c3)sc2C1 ZINC000864616055 733082313 /nfs/dbraw/zinc/08/23/13/733082313.db2.gz AEDQZTXILCYHIW-UHFFFAOYSA-N 1 1 351.435 3.126 20 30 FGEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871098193 733914292 /nfs/dbraw/zinc/91/42/92/733914292.db2.gz WLZMYSVOEOJFPR-IAGOWNOFSA-N 1 1 357.527 3.037 20 30 FGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)no1 ZINC000872178613 735601287 /nfs/dbraw/zinc/60/12/87/735601287.db2.gz ZJGXGBUYIGGODO-NSHDSACASA-N 1 1 374.750 3.412 20 30 FGEDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000876811787 736148190 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COCC1([N@@H+](C)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCC1 ZINC000880186490 737133344 /nfs/dbraw/zinc/13/33/44/737133344.db2.gz ZAOWPPZKEORLFY-HNNXBMFYSA-N 1 1 361.511 3.378 20 30 FGEDMO C#CCC1(O)CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000880480566 737179524 /nfs/dbraw/zinc/17/95/24/737179524.db2.gz XNNVYAZQJSJHBS-ZDUSSCGKSA-N 1 1 369.292 3.021 20 30 FGEDMO N#Cc1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)c1 ZINC000882120586 737422949 /nfs/dbraw/zinc/42/29/49/737422949.db2.gz XTOOVSOOIMBMSF-CJNGLKHVSA-N 1 1 361.287 3.169 20 30 FGEDMO C#CC[N@H+](C[C@@H]1CCO[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426210 739258568 /nfs/dbraw/zinc/25/85/68/739258568.db2.gz MXQUSPMFYCSHPV-IAGOWNOFSA-N 1 1 350.503 3.136 20 30 FGEDMO N#Cc1ccsc1N1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1=O ZINC000886616207 739275572 /nfs/dbraw/zinc/27/55/72/739275572.db2.gz WXWSPXCOJYYNPF-ZENOOKHLSA-N 1 1 369.412 3.389 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1)c1cccc(Cl)c1 ZINC000886834606 739308965 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KTSQOVUCKNVJDK-DLBZAZTESA-N 1 1 350.390 3.217 20 30 FGEDMO CCOC(=O)c1ncc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)s1 ZINC000892973406 740064419 /nfs/dbraw/zinc/06/44/19/740064419.db2.gz QTHWEFCLJGVESE-CQSZACIVSA-N 1 1 359.451 3.291 20 30 FGEDMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000896948327 742620414 /nfs/dbraw/zinc/62/04/14/742620414.db2.gz KXZZIHMYAASXCH-HNNXBMFYSA-N 1 1 355.463 3.479 20 30 FGEDMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000900697751 743151492 /nfs/dbraw/zinc/15/14/92/743151492.db2.gz BXEMLUAVOFTMGA-UONOGXRCSA-N 1 1 350.260 3.003 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000900697751 743151495 /nfs/dbraw/zinc/15/14/95/743151495.db2.gz BXEMLUAVOFTMGA-UONOGXRCSA-N 1 1 350.260 3.003 20 30 FGEDMO C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCO2)c1cc(C#N)ccn1 ZINC000902776709 743775144 /nfs/dbraw/zinc/77/51/44/743775144.db2.gz NHRPGWSMVLXUQT-NSHDSACASA-N 1 1 374.238 3.338 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1(C#N)CCSCC1 ZINC000903553629 743859156 /nfs/dbraw/zinc/85/91/56/743859156.db2.gz IMPGPQSVVBTXDB-KRWDZBQOSA-N 1 1 357.523 3.146 20 30 FGEDMO C=CCCC[C@@H]([NH3+])c1nc(CC(=O)Nc2ccc(F)c(Cl)c2)no1 ZINC000904684260 743969380 /nfs/dbraw/zinc/96/93/80/743969380.db2.gz YGBDXHPIWMBEHK-CYBMUJFWSA-N 1 1 352.797 3.399 20 30 FGEDMO N#Cc1csc(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000905654685 744041356 /nfs/dbraw/zinc/04/13/56/744041356.db2.gz HZTPGXRNKRMKTC-UHFFFAOYSA-N 1 1 354.357 3.152 20 30 FGEDMO C=C(CC[NH+](C)C)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000911247306 757138857 /nfs/dbraw/zinc/13/88/57/757138857.db2.gz KQNJRTFUUZGDEV-GOSISDBHSA-N 1 1 358.873 3.045 20 30 FGEDMO CCCCCCC[C@@H](C)CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000918135673 758305648 /nfs/dbraw/zinc/30/56/48/758305648.db2.gz IBZBWAVDDRRHPZ-RTBURBONSA-N 1 1 353.551 3.489 20 30 FGEDMO C[C@](CO)([NH2+]Cc1csc(C#N)c1)c1ccc(Br)cc1 ZINC000922121238 758853428 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350.812 3.416 20 30 FGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C1 ZINC000971789493 762930317 /nfs/dbraw/zinc/93/03/17/762930317.db2.gz NWMMQVIXHIJJLD-MGPQQGTHSA-N 1 1 350.812 3.416 20 30 FGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC000971990555 762939375 /nfs/dbraw/zinc/93/93/75/762939375.db2.gz GYOHEVFWVTWKOC-GBESFXJTSA-N 1 1 361.917 3.141 20 30 FGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 ZINC000971990555 762939378 /nfs/dbraw/zinc/93/93/78/762939378.db2.gz GYOHEVFWVTWKOC-GBESFXJTSA-N 1 1 361.917 3.141 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)s2)C1 ZINC000972374316 762959375 /nfs/dbraw/zinc/95/93/75/762959375.db2.gz RBZSAPAZTRZJMY-YUELXQCFSA-N 1 1 354.903 3.025 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC000972523802 762968138 /nfs/dbraw/zinc/96/81/38/762968138.db2.gz XOYWZELYHICHQO-QYZOEREBSA-N 1 1 362.901 3.354 20 30 FGEDMO 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C[C@H]1C[C@H](NC(=O)NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080070492 494585611 /nfs/dbraw/zinc/58/56/11/494585611.db2.gz GTPKLPQZUZYDPW-LAUBAEHRSA-N 1 1 362.477 3.411 20 30 FGEDMO Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000046981064 494603749 /nfs/dbraw/zinc/60/37/49/494603749.db2.gz IFGMZLGZMBBEIF-QGZVFWFLSA-N 1 1 373.545 3.117 20 30 FGEDMO C[C@@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000091552811 494616361 /nfs/dbraw/zinc/61/63/61/494616361.db2.gz FSDXNAVAJBBGHP-QGZVFWFLSA-N 1 1 368.525 3.466 20 30 FGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000092482863 494639826 /nfs/dbraw/zinc/63/98/26/494639826.db2.gz FTYXXEMLGINUIU-UHFFFAOYSA-N 1 1 355.511 3.205 20 30 FGEDMO N#CCSCCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000074982193 494669369 /nfs/dbraw/zinc/66/93/69/494669369.db2.gz UXPZXYMHCYTECK-UHFFFAOYSA-N 1 1 351.903 3.135 20 30 FGEDMO CC(C)C[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000131658266 494689711 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364.511 3.157 20 30 FGEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000577550835 505750175 /nfs/dbraw/zinc/75/01/75/505750175.db2.gz SKBHSTFGXQZCHV-KRWDZBQOSA-N 1 1 367.497 3.314 20 30 FGEDMO C=CCCOCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000122178136 494935868 /nfs/dbraw/zinc/93/58/68/494935868.db2.gz RZGCMJPRNMJJPM-GOSISDBHSA-N 1 1 359.514 3.310 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@H]2CC[C@H](C)C2)c1C ZINC000568698783 505755060 /nfs/dbraw/zinc/75/50/60/505755060.db2.gz RHBKDWXKGVCBBT-LPHOPBHVSA-N 1 1 357.498 3.033 20 30 FGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc(OCC#N)cc2)C1 ZINC000110976704 495026951 /nfs/dbraw/zinc/02/69/51/495026951.db2.gz LNEFVYWOWHVWFY-QGZVFWFLSA-N 1 1 357.498 3.148 20 30 FGEDMO CCc1nc(C[NH+]2CCC(CNC(=O)C3(C#N)CCCC3)CC2)cs1 ZINC000111043190 495033613 /nfs/dbraw/zinc/03/36/13/495033613.db2.gz TXVDDYVKCQXYTK-UHFFFAOYSA-N 1 1 360.527 3.118 20 30 FGEDMO CN1CCC[C@@H](C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000118842646 495046844 /nfs/dbraw/zinc/04/68/44/495046844.db2.gz VTTXQWBILJRDLZ-OAHLLOKOSA-N 1 1 374.554 3.101 20 30 FGEDMO CN1CCC[C@@H](C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000118842646 495046848 /nfs/dbraw/zinc/04/68/48/495046848.db2.gz VTTXQWBILJRDLZ-OAHLLOKOSA-N 1 1 374.554 3.101 20 30 FGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000111233828 495051397 /nfs/dbraw/zinc/05/13/97/495051397.db2.gz MHCDHYXHFBNQPU-UHFFFAOYSA-N 1 1 359.433 3.253 20 30 FGEDMO COc1cccc(NC2CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1 ZINC000111304973 495061822 /nfs/dbraw/zinc/06/18/22/495061822.db2.gz XTKQJFDOTDTVBW-IERDGZPVSA-N 1 1 372.513 3.014 20 30 FGEDMO CC(C)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000119018922 495072063 /nfs/dbraw/zinc/07/20/63/495072063.db2.gz PEMRHDHCYIDSDP-UHFFFAOYSA-N 1 1 362.477 3.425 20 30 FGEDMO CC(C)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000119018922 495072068 /nfs/dbraw/zinc/07/20/68/495072068.db2.gz PEMRHDHCYIDSDP-UHFFFAOYSA-N 1 1 362.477 3.425 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000111475519 495079590 /nfs/dbraw/zinc/07/95/90/495079590.db2.gz BMAOHAAKADEDFO-UHFFFAOYSA-N 1 1 371.506 3.170 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000111475519 495079594 /nfs/dbraw/zinc/07/95/94/495079594.db2.gz BMAOHAAKADEDFO-UHFFFAOYSA-N 1 1 371.506 3.170 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134446537 495150721 /nfs/dbraw/zinc/15/07/21/495150721.db2.gz CSXZZNFECJTHPR-NEPJUHHUSA-N 1 1 374.432 3.102 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134446537 495150724 /nfs/dbraw/zinc/15/07/24/495150724.db2.gz CSXZZNFECJTHPR-NEPJUHHUSA-N 1 1 374.432 3.102 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119475618 495174218 /nfs/dbraw/zinc/17/42/18/495174218.db2.gz ASIZYIMSNAUAHG-ZDUSSCGKSA-N 1 1 368.399 3.484 20 30 FGEDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@H+]1C ZINC000123770241 495183745 /nfs/dbraw/zinc/18/37/45/495183745.db2.gz FYMUOVKFRKDPEK-DOTOQJQBSA-N 1 1 367.449 3.285 20 30 FGEDMO CN(c1ccccc1)C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000103471036 495238019 /nfs/dbraw/zinc/23/80/19/495238019.db2.gz FWKIKDJNTDMFBC-QFIPXVFZSA-N 1 1 374.488 3.264 20 30 FGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000135037972 495242220 /nfs/dbraw/zinc/24/22/20/495242220.db2.gz UQRXYOIYPWCJFM-UHFFFAOYSA-N 1 1 351.450 3.291 20 30 FGEDMO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CCO2)n1 ZINC000135200582 495262109 /nfs/dbraw/zinc/26/21/09/495262109.db2.gz PORYXZHEGNFMOX-IBGZPJMESA-N 1 1 352.482 3.202 20 30 FGEDMO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CCO2)n1 ZINC000135200582 495262113 /nfs/dbraw/zinc/26/21/13/495262113.db2.gz PORYXZHEGNFMOX-IBGZPJMESA-N 1 1 352.482 3.202 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCC2CC2)c1C#N ZINC000135272115 495271122 /nfs/dbraw/zinc/27/11/22/495271122.db2.gz IICWSFSYMMJDDP-UHFFFAOYSA-N 1 1 354.454 3.288 20 30 FGEDMO CSC[C@@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000135420656 495290482 /nfs/dbraw/zinc/29/04/82/495290482.db2.gz GPPJJTPQBJFVKT-INIZCTEOSA-N 1 1 370.440 3.001 20 30 FGEDMO N#Cc1cccc(OC2CC[NH+](CC(=O)N(C3CC3)C3CCCC3)CC2)c1 ZINC000104716585 495300286 /nfs/dbraw/zinc/30/02/86/495300286.db2.gz RJRQOJTYZWHVLC-UHFFFAOYSA-N 1 1 367.493 3.335 20 30 FGEDMO CC[N@H+]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000104951456 495318269 /nfs/dbraw/zinc/31/82/69/495318269.db2.gz NCQBJSZAYWMVFU-UHFFFAOYSA-N 1 1 374.554 3.245 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)c1 ZINC000105722578 495389228 /nfs/dbraw/zinc/38/92/28/495389228.db2.gz QFPLRPJWLQYLIX-UHFFFAOYSA-N 1 1 366.440 3.033 20 30 FGEDMO CC[C@@H](C)[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)OC(C)(C)C ZINC000136799441 495402159 /nfs/dbraw/zinc/40/21/59/495402159.db2.gz UWCUEPGIGAISIE-CYBMUJFWSA-N 1 1 365.499 3.391 20 30 FGEDMO CC(C)[N@@H+](C)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114691092 495410401 /nfs/dbraw/zinc/41/04/01/495410401.db2.gz DOKSUPOGOUSMQM-UHFFFAOYSA-N 1 1 351.450 3.207 20 30 FGEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000114746017 495420299 /nfs/dbraw/zinc/42/02/99/495420299.db2.gz JMYBYKUKYZAHHD-LIRRHRJNSA-N 1 1 365.433 3.032 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000125328731 495426844 /nfs/dbraw/zinc/42/68/44/495426844.db2.gz QXIWXAKXDNFZCL-HOTGVXAUSA-N 1 1 374.529 3.462 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C12CCCC2 ZINC000125656671 495477775 /nfs/dbraw/zinc/47/77/75/495477775.db2.gz UNHNZZXMPFVXMB-IAGOWNOFSA-N 1 1 359.470 3.376 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)C12CCCC2 ZINC000125656671 495477778 /nfs/dbraw/zinc/47/77/78/495477778.db2.gz UNHNZZXMPFVXMB-IAGOWNOFSA-N 1 1 359.470 3.376 20 30 FGEDMO N#Cc1ccc(OCc2cccc(C(=O)N3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000115348019 495493480 /nfs/dbraw/zinc/49/34/80/495493480.db2.gz CZYSUFIJCMSXDC-UHFFFAOYSA-N 1 1 361.445 3.057 20 30 FGEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1occc1COc1cccc(C#N)c1 ZINC000115433919 495503744 /nfs/dbraw/zinc/50/37/44/495503744.db2.gz JFGFGOZPDKIGPO-QGZVFWFLSA-N 1 1 367.449 3.144 20 30 FGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000125829481 495505107 /nfs/dbraw/zinc/50/51/07/495505107.db2.gz ZRMHUQQGWDICSL-KRWDZBQOSA-N 1 1 351.450 3.202 20 30 FGEDMO N#CC1CC[NH+](CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000141940357 495511633 /nfs/dbraw/zinc/51/16/33/495511633.db2.gz JSFPDOYWNVOHQM-JOCHJYFZSA-N 1 1 359.473 3.396 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115557383 495516290 /nfs/dbraw/zinc/51/62/90/495516290.db2.gz SBZDTDROIQURBM-YWZLYKJASA-N 1 1 361.461 3.112 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)N(C)Cc3cccc(C#N)c3)CC2)cs1 ZINC000170684263 495563217 /nfs/dbraw/zinc/56/32/17/495563217.db2.gz AFHOZOAGPVAIPV-UHFFFAOYSA-N 1 1 368.506 3.194 20 30 FGEDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000185462177 495585573 /nfs/dbraw/zinc/58/55/73/495585573.db2.gz SLHVYYVMFXLBRL-INIZCTEOSA-N 1 1 368.506 3.327 20 30 FGEDMO C=CCSCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000148957173 495588653 /nfs/dbraw/zinc/58/86/53/495588653.db2.gz LNIMUNRWRIKJHA-OAHLLOKOSA-N 1 1 353.557 3.179 20 30 FGEDMO Cc1oc(NC(=O)CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C#N)c1C ZINC000185476962 495591684 /nfs/dbraw/zinc/59/16/84/495591684.db2.gz HRZKYIIWMFRBTD-AWEZNQCLSA-N 1 1 372.494 3.147 20 30 FGEDMO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000173603781 495609579 /nfs/dbraw/zinc/60/95/79/495609579.db2.gz VMFGESOWFGIWLT-QZTJIDSGSA-N 1 1 365.477 3.352 20 30 FGEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000571696949 505792749 /nfs/dbraw/zinc/79/27/49/505792749.db2.gz MLSUYKORURJXAQ-HNNXBMFYSA-N 1 1 355.438 3.189 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c(F)c1 ZINC000170937493 495659957 /nfs/dbraw/zinc/65/99/57/495659957.db2.gz YNHLRPCOYQUHFS-SFHVURJKSA-N 1 1 369.415 3.365 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000574540862 505797195 /nfs/dbraw/zinc/79/71/95/505797195.db2.gz UARCEZKEEMKLBR-ZJMJOCHXSA-N 1 1 359.473 3.298 20 30 FGEDMO C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182845388 495725895 /nfs/dbraw/zinc/72/58/95/495725895.db2.gz XJWAPNYSCUSCAC-LPHOPBHVSA-N 1 1 354.498 3.353 20 30 FGEDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571730804 505800815 /nfs/dbraw/zinc/80/08/15/505800815.db2.gz TVUKGIYIRLICAZ-KKSFZXQISA-N 1 1 354.425 3.239 20 30 FGEDMO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179827009 495750225 /nfs/dbraw/zinc/75/02/25/495750225.db2.gz OTPDTHDXLNMSQI-QGZVFWFLSA-N 1 1 356.426 3.193 20 30 FGEDMO C=CCn1c(C2CC2)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000568891181 505801329 /nfs/dbraw/zinc/80/13/29/505801329.db2.gz QHXDEQKKJRNRFS-IRXDYDNUSA-N 1 1 351.498 3.441 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000179881905 495768864 /nfs/dbraw/zinc/76/88/64/495768864.db2.gz CMDMMNYSRMTGKM-UHFFFAOYSA-N 1 1 372.513 3.469 20 30 FGEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000159671752 495784371 /nfs/dbraw/zinc/78/43/71/495784371.db2.gz KLJNEORPZGVACL-QFBILLFUSA-N 1 1 363.461 3.223 20 30 FGEDMO C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000574568495 505803949 /nfs/dbraw/zinc/80/39/49/505803949.db2.gz PECBKELSJDCFFT-KRWDZBQOSA-N 1 1 354.498 3.159 20 30 FGEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000159887548 495832299 /nfs/dbraw/zinc/83/22/99/495832299.db2.gz YMBLBWVAZBCFET-GOSISDBHSA-N 1 1 366.465 3.342 20 30 FGEDMO CCc1cnc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000174235936 495876335 /nfs/dbraw/zinc/87/63/35/495876335.db2.gz ZZNNSVVKTBZRLV-UHFFFAOYSA-N 1 1 369.494 3.317 20 30 FGEDMO CCc1cnc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000174235936 495876342 /nfs/dbraw/zinc/87/63/42/495876342.db2.gz ZZNNSVVKTBZRLV-UHFFFAOYSA-N 1 1 369.494 3.317 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160069679 495877104 /nfs/dbraw/zinc/87/71/04/495877104.db2.gz SKYGZIBGUCUGFT-LJQANCHMSA-N 1 1 372.557 3.433 20 30 FGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)o1 ZINC000174278163 495892698 /nfs/dbraw/zinc/89/26/98/495892698.db2.gz RDCRMRKCWGYXTR-UHFFFAOYSA-N 1 1 365.355 3.296 20 30 FGEDMO C[NH+](C)[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000171553104 495924215 /nfs/dbraw/zinc/92/42/15/495924215.db2.gz KDVNMXDEMKAJIR-NRFANRHFSA-N 1 1 363.461 3.231 20 30 FGEDMO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177167919 495957496 /nfs/dbraw/zinc/95/74/96/495957496.db2.gz KDCNPDOJOOXSKN-QGZVFWFLSA-N 1 1 352.400 3.390 20 30 FGEDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177167919 495957500 /nfs/dbraw/zinc/95/75/00/495957500.db2.gz KDCNPDOJOOXSKN-QGZVFWFLSA-N 1 1 352.400 3.390 20 30 FGEDMO N#Cc1cccc(OCCC[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000155467285 495964992 /nfs/dbraw/zinc/96/49/92/495964992.db2.gz DCICJPIVEAQWEJ-UHFFFAOYSA-N 1 1 363.461 3.175 20 30 FGEDMO Cc1sc(NC(=O)CN2CCC[N@H+](C3CCCC3)CC2)c(C#N)c1C ZINC000177264403 496000460 /nfs/dbraw/zinc/00/04/60/496000460.db2.gz IXTMUKQCOHVMIE-UHFFFAOYSA-N 1 1 360.527 3.125 20 30 FGEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571806719 505817920 /nfs/dbraw/zinc/81/79/20/505817920.db2.gz OKINMSGXHMVNRB-FQEVSTJZSA-N 1 1 353.422 3.486 20 30 FGEDMO C=CC1CCN(C(=O)C(=O)Nc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)CC1 ZINC000171787823 496036539 /nfs/dbraw/zinc/03/65/39/496036539.db2.gz QXOZLTPFTDYHSH-INIZCTEOSA-N 1 1 369.509 3.410 20 30 FGEDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000155755737 496057472 /nfs/dbraw/zinc/05/74/72/496057472.db2.gz HEGSBEBQAYRTID-CALCHBBNSA-N 1 1 363.461 3.302 20 30 FGEDMO CCOc1ccc([C@H]([NH2+]CC(=O)NCC#N)c2cccc(Cl)c2)cc1 ZINC000152238184 496090818 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C[C@@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000324341767 498826900 /nfs/dbraw/zinc/82/69/00/498826900.db2.gz YCMFMWXUTOJEHI-INIZCTEOSA-N 1 1 350.422 3.425 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000579173113 506108875 /nfs/dbraw/zinc/10/88/75/506108875.db2.gz ADQJLKAWRMMORH-HXUWFJFHSA-N 1 1 372.490 3.106 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)C2)[nH]n1 ZINC000328703459 498907128 /nfs/dbraw/zinc/90/71/28/498907128.db2.gz OFGAZULYXGULBU-KZNAEPCWSA-N 1 1 373.545 3.465 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)[C@@H]3CCC[N@@H+](C4CCC4)C3)C2)n[nH]1 ZINC000328703459 498907134 /nfs/dbraw/zinc/90/71/34/498907134.db2.gz OFGAZULYXGULBU-KZNAEPCWSA-N 1 1 373.545 3.465 20 30 FGEDMO Cc1cc([C@@H]2CCCN(C(=O)N[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)C2)n[nH]1 ZINC000328703459 498907142 /nfs/dbraw/zinc/90/71/42/498907142.db2.gz OFGAZULYXGULBU-KZNAEPCWSA-N 1 1 373.545 3.465 20 30 FGEDMO Cn1cc2c(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000328755986 498927401 /nfs/dbraw/zinc/92/74/01/498927401.db2.gz TYUZBQZJLJLLPQ-WMZOPIPTSA-N 1 1 359.518 3.098 20 30 FGEDMO C[C@@H](CNC(=O)c1coc(C2CCOCC2)n1)[N@H+]1CCc2ccccc2C1 ZINC000328769381 498931455 /nfs/dbraw/zinc/93/14/55/498931455.db2.gz CECUEGPGEXPYHL-HNNXBMFYSA-N 1 1 369.465 3.320 20 30 FGEDMO O=C(NCCN1C(=O)Cc2ccccc21)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000328784401 498938115 /nfs/dbraw/zinc/93/81/15/498938115.db2.gz NWBUEQJRHDKPRF-LJQANCHMSA-N 1 1 355.482 3.329 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000328830207 498952672 /nfs/dbraw/zinc/95/26/72/498952672.db2.gz RARPMEGXCMXTFM-YZGWKJHDSA-N 1 1 371.525 3.360 20 30 FGEDMO N#CC(=C(O)c1ccc(C[NH+]2CCCC2)cc1)c1nnc2n1CCCCC2 ZINC000328883471 498972827 /nfs/dbraw/zinc/97/28/27/498972827.db2.gz MGMICUCGABBRFT-SFHVURJKSA-N 1 1 363.465 3.090 20 30 FGEDMO O=C(Cc1ccccc1)NCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000328919154 498984623 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HOIPEUVXPACACM-VAMGGRTRSA-N 1 1 351.406 3.400 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000366651168 499018216 /nfs/dbraw/zinc/01/82/16/499018216.db2.gz HOIPEUVXPACACM-VAMGGRTRSA-N 1 1 351.406 3.400 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000366651167 499018314 /nfs/dbraw/zinc/01/83/14/499018314.db2.gz HOIPEUVXPACACM-HSALFYBXSA-N 1 1 351.406 3.400 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000366651167 499018319 /nfs/dbraw/zinc/01/83/19/499018319.db2.gz HOIPEUVXPACACM-HSALFYBXSA-N 1 1 351.406 3.400 20 30 FGEDMO C[C@H](NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329049108 499025356 /nfs/dbraw/zinc/02/53/56/499025356.db2.gz QRCYJWJVIFMBGE-JSFADZTLSA-N 1 1 374.529 3.497 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000366681736 499031784 /nfs/dbraw/zinc/03/17/84/499031784.db2.gz WEUVCJMWEXLOPD-KURKYZTESA-N 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OMGRVSOCLSSJBB-NSISKUIASA-N 1 1 372.513 3.252 20 30 FGEDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccnc(Oc4ccccc4)c3)[C@@H]2C1 ZINC000329464320 499125262 /nfs/dbraw/zinc/12/52/62/499125262.db2.gz UVYJECBBAPLYKL-MAUKXSAKSA-N 1 1 352.438 3.445 20 30 FGEDMO CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329485710 499127386 /nfs/dbraw/zinc/12/73/86/499127386.db2.gz SSNCKSMNFXBFHD-SJORKVTESA-N 1 1 358.486 3.071 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1N(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000329503281 499128420 /nfs/dbraw/zinc/12/84/20/499128420.db2.gz KXSNFMAUPHZXJD-VUHPKUFZSA-N 1 1 361.534 3.228 20 30 FGEDMO Cc1cc(NC(=O)[C@H](C)C[NH+]2CCOCC2)cnc1N1CCCC[C@@H]1C ZINC000329508157 499128498 /nfs/dbraw/zinc/12/84/98/499128498.db2.gz LXVHIFGEIFVBJX-SJORKVTESA-N 1 1 360.502 3.325 20 30 FGEDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000329528782 499129338 /nfs/dbraw/zinc/12/93/38/499129338.db2.gz IFSSEWKXVVIJEA-IAGOWNOFSA-N 1 1 353.470 3.191 20 30 FGEDMO Cc1nc2n(c1CN1CC[NH+]([C@H](C)c3cccc(C#N)c3)CC1)CCCC2 ZINC000372622736 499154823 /nfs/dbraw/zinc/15/48/23/499154823.db2.gz WTCVGQNXZCABCU-GOSISDBHSA-N 1 1 363.509 3.278 20 30 FGEDMO C=CCc1cc(C[N@@H+](C)C2CCN(c3ncccn3)CC2)cc(OC)c1O ZINC000367467072 499202363 /nfs/dbraw/zinc/20/23/63/499202363.db2.gz HSDVPPVWUJPNBH-UHFFFAOYSA-N 1 1 368.481 3.020 20 30 FGEDMO C[N@H+]1CCC[C@H](CNCC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccccc1 ZINC000367485679 499204959 /nfs/dbraw/zinc/20/49/59/499204959.db2.gz ZRQFUSKOJSXOKQ-TZIWHRDSSA-N 1 1 368.525 3.002 20 30 FGEDMO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1c(F)cncc1F ZINC000367527044 499209282 /nfs/dbraw/zinc/20/92/82/499209282.db2.gz LZQLMSJTVLBIHG-GFCCVEGCSA-N 1 1 353.376 3.483 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)ccc1OC ZINC000367546902 499211160 /nfs/dbraw/zinc/21/11/60/499211160.db2.gz ODIRYKIJYHEIHH-ZWKOTPCHSA-N 1 1 358.482 3.141 20 30 FGEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000367863728 499239567 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COc1ccc([C@@H](O)[C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000368530725 499305077 /nfs/dbraw/zinc/30/50/77/499305077.db2.gz PEDGDNDPKYTDKL-WOJBJXKFSA-N 1 1 358.482 3.294 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1cccs1 ZINC000371780748 499365012 /nfs/dbraw/zinc/36/50/12/499365012.db2.gz ACDVNADSDYPHKP-RLLQIKCJSA-N 1 1 356.491 3.397 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1cccs1 ZINC000371780748 499365014 /nfs/dbraw/zinc/36/50/14/499365014.db2.gz ACDVNADSDYPHKP-RLLQIKCJSA-N 1 1 356.491 3.397 20 30 FGEDMO CC[N@@H+]([C@@H]1CCOC(C)(C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582150724 506144740 /nfs/dbraw/zinc/14/47/40/506144740.db2.gz OXVLJTOFQOALMK-RTBURBONSA-N 1 1 355.482 3.333 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000372054441 499393736 /nfs/dbraw/zinc/39/37/36/499393736.db2.gz YMYNRJQFERIIPV-DYESRHJHSA-N 1 1 372.476 3.461 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000372054442 499393929 /nfs/dbraw/zinc/39/39/29/499393929.db2.gz YMYNRJQFERIIPV-LAUBAEHRSA-N 1 1 372.476 3.461 20 30 FGEDMO Cc1cnc([C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)s1 ZINC000369351715 499394496 /nfs/dbraw/zinc/39/44/96/499394496.db2.gz AOOQPKAJURUOGX-WMZOPIPTSA-N 1 1 366.490 3.308 20 30 FGEDMO Cc1cnc([C@H]2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)s1 ZINC000369351715 499394497 /nfs/dbraw/zinc/39/44/97/499394497.db2.gz AOOQPKAJURUOGX-WMZOPIPTSA-N 1 1 366.490 3.308 20 30 FGEDMO COC[C@H]1CCCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 ZINC000372093199 499398564 /nfs/dbraw/zinc/39/85/64/499398564.db2.gz BZQKTFXWRRDBPP-MSOLQXFVSA-N 1 1 373.497 3.079 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369531431 499413539 /nfs/dbraw/zinc/41/35/39/499413539.db2.gz NBFPOASAVSZFDY-MJGOQNOKSA-N 1 1 368.506 3.454 20 30 FGEDMO CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@]2(CCOC2)O1 ZINC000369541571 499415095 /nfs/dbraw/zinc/41/50/95/499415095.db2.gz OSZXNRWECDXGJX-RXVVDRJESA-N 1 1 374.481 3.148 20 30 FGEDMO CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C[C@]2(CCOC2)O1 ZINC000369541571 499415097 /nfs/dbraw/zinc/41/50/97/499415097.db2.gz OSZXNRWECDXGJX-RXVVDRJESA-N 1 1 374.481 3.148 20 30 FGEDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000372336427 499422164 /nfs/dbraw/zinc/42/21/64/499422164.db2.gz GNODZAFBXYHPJO-SLYNCCJLSA-N 1 1 355.526 3.467 20 30 FGEDMO Cc1cc(CN2CCC([N@H+](C)Cc3ccc(O[C@H](C)C#N)cc3)CC2)on1 ZINC000372410022 499431611 /nfs/dbraw/zinc/43/16/11/499431611.db2.gz MZSKYFQMAQQUBP-QGZVFWFLSA-N 1 1 368.481 3.370 20 30 FGEDMO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000372417942 499432415 /nfs/dbraw/zinc/43/24/15/499432415.db2.gz ZMELOXCNVNHSGZ-FQEVSTJZSA-N 1 1 355.482 3.346 20 30 FGEDMO N#Cc1ncn(C2CC[NH+](Cc3ncc(-c4cccc(Cl)c4)o3)CC2)n1 ZINC000369728691 499439454 /nfs/dbraw/zinc/43/94/54/499439454.db2.gz CHCUQAUVEQCHPH-UHFFFAOYSA-N 1 1 368.828 3.295 20 30 FGEDMO CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000373075060 499450036 /nfs/dbraw/zinc/45/00/36/499450036.db2.gz SCKQIJKJGABEMK-OAHLLOKOSA-N 1 1 360.506 3.451 20 30 FGEDMO Cc1cccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c1C#N ZINC000378227131 499492179 /nfs/dbraw/zinc/49/21/79/499492179.db2.gz MAQAXNUETNMBJY-INIZCTEOSA-N 1 1 372.494 3.040 20 30 FGEDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cccn2Cc2ccccc2C#N)n1 ZINC000375358890 499510493 /nfs/dbraw/zinc/51/04/93/499510493.db2.gz YOBJRUYPNJVTBP-QFIPXVFZSA-N 1 1 374.492 3.281 20 30 FGEDMO CCOc1ccc(C#N)cc1NC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000378396862 499511933 /nfs/dbraw/zinc/51/19/33/499511933.db2.gz NWDGGJZYVKZOTB-UHFFFAOYSA-N 1 1 353.426 3.120 20 30 FGEDMO Cc1n[nH]c(C2CCN(Cc3ccc(C#N)cc3Br)CC2)n1 ZINC000378493888 499523767 /nfs/dbraw/zinc/52/37/67/499523767.db2.gz VOJRRFLMUBSXNX-UHFFFAOYSA-N 1 1 360.259 3.127 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000380400776 499543563 /nfs/dbraw/zinc/54/35/63/499543563.db2.gz AYFDGULSJLTHAU-NRFANRHFSA-N 1 1 362.477 3.093 20 30 FGEDMO CN(CCC(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380400776 499543565 /nfs/dbraw/zinc/54/35/65/499543565.db2.gz AYFDGULSJLTHAU-NRFANRHFSA-N 1 1 362.477 3.093 20 30 FGEDMO CN(CCC(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380400776 499543566 /nfs/dbraw/zinc/54/35/66/499543566.db2.gz AYFDGULSJLTHAU-NRFANRHFSA-N 1 1 362.477 3.093 20 30 FGEDMO C[C@@H]1CCN(C(=O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000383121231 499546429 /nfs/dbraw/zinc/54/64/29/499546429.db2.gz YPBMMMCXHIJHSV-GOSISDBHSA-N 1 1 363.461 3.060 20 30 FGEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375783246 499555381 /nfs/dbraw/zinc/55/53/81/499555381.db2.gz QUVCOFXKSBELRR-IRXDYDNUSA-N 1 1 351.491 3.076 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000375874845 499563935 /nfs/dbraw/zinc/56/39/35/499563935.db2.gz RXGVYICVJQEJLH-KRWDZBQOSA-N 1 1 366.490 3.200 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000375874845 499563936 /nfs/dbraw/zinc/56/39/36/499563936.db2.gz RXGVYICVJQEJLH-KRWDZBQOSA-N 1 1 366.490 3.200 20 30 FGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)COc1ccc(C#N)cc1 ZINC000398194363 499567162 /nfs/dbraw/zinc/56/71/62/499567162.db2.gz YMSVBPMBTCYHOW-NRFANRHFSA-N 1 1 365.477 3.210 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000409445833 499596587 /nfs/dbraw/zinc/59/65/87/499596587.db2.gz SNHZHXUUENAUAE-VSKRKVRLSA-N 1 1 350.462 3.336 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000409445833 499596588 /nfs/dbraw/zinc/59/65/88/499596588.db2.gz SNHZHXUUENAUAE-VSKRKVRLSA-N 1 1 350.462 3.336 20 30 FGEDMO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000376308289 499599447 /nfs/dbraw/zinc/59/94/47/499599447.db2.gz ZYJUNUIUKJONJM-PXAZEXFGSA-N 1 1 352.369 3.132 20 30 FGEDMO C[C@@H]1CN(C(=O)Cc2c(F)cccc2C#N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000576417676 506153697 /nfs/dbraw/zinc/15/36/97/506153697.db2.gz KNWHJAVFCZFRJR-SJORKVTESA-N 1 1 365.452 3.361 20 30 FGEDMO C=CC[N@@H+](Cc1ccnn1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000410372097 499658199 /nfs/dbraw/zinc/65/81/99/499658199.db2.gz UOIRAICNVZQUAP-MRXNPFEDSA-N 1 1 351.458 3.189 20 30 FGEDMO C=CC[N@H+](Cc1ccnn1C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000410372097 499658200 /nfs/dbraw/zinc/65/82/00/499658200.db2.gz UOIRAICNVZQUAP-MRXNPFEDSA-N 1 1 351.458 3.189 20 30 FGEDMO CCc1nccc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000377428648 499689704 /nfs/dbraw/zinc/68/97/04/499689704.db2.gz LIEGVQZHEUELBC-NVXWUHKLSA-N 1 1 363.465 3.117 20 30 FGEDMO CCc1nccc([C@@H]2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)n1 ZINC000377428648 499689705 /nfs/dbraw/zinc/68/97/05/499689705.db2.gz LIEGVQZHEUELBC-NVXWUHKLSA-N 1 1 363.465 3.117 20 30 FGEDMO N#CC1(CC[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)CCCCC1 ZINC000411128393 499700882 /nfs/dbraw/zinc/70/08/82/499700882.db2.gz SRVDYDXDSDMKSN-UHFFFAOYSA-N 1 1 354.498 3.107 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@](O)(c4ccccc4)CC3)o2)cc1 ZINC000377554588 499704173 /nfs/dbraw/zinc/70/41/73/499704173.db2.gz XOKJNIWNOFOBAZ-QFIPXVFZSA-N 1 1 374.444 3.482 20 30 FGEDMO C=CCN(C(=O)c1ccc(COC)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377570543 499705479 /nfs/dbraw/zinc/70/54/79/499705479.db2.gz AAWYBZJIJNGNAN-GOSISDBHSA-N 1 1 354.450 3.329 20 30 FGEDMO CC#CC[N@@H+](Cc1cncnc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000377569032 499705694 /nfs/dbraw/zinc/70/56/94/499705694.db2.gz UOVXOJSKPNIPDQ-GOSISDBHSA-N 1 1 358.486 3.092 20 30 FGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000377595326 499708325 /nfs/dbraw/zinc/70/83/25/499708325.db2.gz MKERWECHGBBERU-DLBZAZTESA-N 1 1 352.486 3.018 20 30 FGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000411193181 499709406 /nfs/dbraw/zinc/70/94/06/499709406.db2.gz NTFYBVYTZDFGDT-QGZVFWFLSA-N 1 1 365.452 3.433 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000411193181 499709407 /nfs/dbraw/zinc/70/94/07/499709407.db2.gz NTFYBVYTZDFGDT-QGZVFWFLSA-N 1 1 365.452 3.433 20 30 FGEDMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3sccc3C#N)[C@@H](C)C2)s1 ZINC000377780813 499732498 /nfs/dbraw/zinc/73/24/98/499732498.db2.gz CQXARDZCWCQNIO-XHDPSFHLSA-N 1 1 360.508 3.025 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000411410622 499736791 /nfs/dbraw/zinc/73/67/91/499736791.db2.gz WHOGGCIPFZOMIE-NRFANRHFSA-N 1 1 363.461 3.160 20 30 FGEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411484279 499746442 /nfs/dbraw/zinc/74/64/42/499746442.db2.gz GNMKNJFDNOXYSC-CQSZACIVSA-N 1 1 373.409 3.254 20 30 FGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411484279 499746443 /nfs/dbraw/zinc/74/64/43/499746443.db2.gz GNMKNJFDNOXYSC-CQSZACIVSA-N 1 1 373.409 3.254 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000377971059 499752112 /nfs/dbraw/zinc/75/21/12/499752112.db2.gz WGEDFTCUDKYVNQ-ICSRJNTNSA-N 1 1 367.493 3.314 20 30 FGEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1nc(-c3cccc(C#N)c3)cs1)C2 ZINC000378030372 499755398 /nfs/dbraw/zinc/75/53/98/499755398.db2.gz WAOIZLCPCDGSAZ-OAHLLOKOSA-N 1 1 363.446 3.388 20 30 FGEDMO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000414172898 499765456 /nfs/dbraw/zinc/76/54/56/499765456.db2.gz WISJKBMQKGBADH-SECBINFHSA-N 1 1 364.298 3.231 20 30 FGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000411640961 499772103 /nfs/dbraw/zinc/77/21/03/499772103.db2.gz LERVIKVDBGOFAJ-AWEZNQCLSA-N 1 1 353.894 3.115 20 30 FGEDMO CC(C)(COc1ncccc1Br)[NH2+]Cc1nc(C#N)cs1 ZINC000582210568 506159366 /nfs/dbraw/zinc/15/93/66/506159366.db2.gz WXVVOBPRJKLGQR-UHFFFAOYSA-N 1 1 367.272 3.119 20 30 FGEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000412077063 499821039 /nfs/dbraw/zinc/82/10/39/499821039.db2.gz SVSNCRXODUFBKH-QGZVFWFLSA-N 1 1 371.481 3.331 20 30 FGEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000412077063 499821040 /nfs/dbraw/zinc/82/10/40/499821040.db2.gz SVSNCRXODUFBKH-QGZVFWFLSA-N 1 1 371.481 3.331 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccccc3)[C@H](CO)C3CC3)o2)c1 ZINC000579380112 506161180 /nfs/dbraw/zinc/16/11/80/506161180.db2.gz FLRSVTQVDQQZFI-HXUWFJFHSA-N 1 1 374.444 3.381 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@@H+](Cc3ccccc3)[C@H](CO)C3CC3)o2)c1 ZINC000579380112 506161184 /nfs/dbraw/zinc/16/11/84/506161184.db2.gz FLRSVTQVDQQZFI-HXUWFJFHSA-N 1 1 374.444 3.381 20 30 FGEDMO C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000412702381 499877827 /nfs/dbraw/zinc/87/78/27/499877827.db2.gz WBCQTPWECWUSQH-GOSISDBHSA-N 1 1 359.473 3.323 20 30 FGEDMO C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000412702381 499877829 /nfs/dbraw/zinc/87/78/29/499877829.db2.gz WBCQTPWECWUSQH-GOSISDBHSA-N 1 1 359.473 3.323 20 30 FGEDMO C=CCCOCCCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425017024 499995183 /nfs/dbraw/zinc/99/51/83/499995183.db2.gz XVVILHUMQHIDML-LEWJYISDSA-N 1 1 356.510 3.482 20 30 FGEDMO C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000425091069 500016478 /nfs/dbraw/zinc/01/64/78/500016478.db2.gz WKHSXJKYEHRROJ-WWGRRREGSA-N 1 1 353.388 3.144 20 30 FGEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000429246124 500033264 /nfs/dbraw/zinc/03/32/64/500033264.db2.gz FMYUCJFJIDYVKS-AWEZNQCLSA-N 1 1 372.469 3.298 20 30 FGEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000429260306 500036250 /nfs/dbraw/zinc/03/62/50/500036250.db2.gz BCHXADSOYZHRCM-INIZCTEOSA-N 1 1 366.440 3.237 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](CSC)C2)c(OC)c1 ZINC000429290808 500044246 /nfs/dbraw/zinc/04/42/46/500044246.db2.gz DZYPVYXKJVSFLX-ZWKOTPCHSA-N 1 1 365.539 3.238 20 30 FGEDMO C=CC[C@H](Cc1ccccc1)NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000413828118 500068696 /nfs/dbraw/zinc/06/86/96/500068696.db2.gz UIJDSMOVDRKSSX-AZUAARDMSA-N 1 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/nfs/dbraw/zinc/05/95/49/501059549.db2.gz AIGPNBAOFUCUEN-VGSWGCGISA-N 1 1 366.461 3.109 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000441240234 501107223 /nfs/dbraw/zinc/10/72/23/501107223.db2.gz QIFVADIXPJHTKE-UHFFFAOYSA-N 1 1 364.405 3.460 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000441259019 501110142 /nfs/dbraw/zinc/11/01/42/501110142.db2.gz FEZNGKFGNMAMGK-BLLLJJGKSA-N 1 1 369.387 3.100 20 30 FGEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000441322729 501120631 /nfs/dbraw/zinc/12/06/31/501120631.db2.gz HLGVZNDFNZJJKZ-QRWLVFNGSA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000441322729 501120634 /nfs/dbraw/zinc/12/06/34/501120634.db2.gz HLGVZNDFNZJJKZ-QRWLVFNGSA-N 1 1 351.425 3.397 20 30 FGEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450462811 501127470 /nfs/dbraw/zinc/12/74/70/501127470.db2.gz JOFWEANBXCKITJ-GOSISDBHSA-N 1 1 365.437 3.352 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C#N)c2Br)C[C@H]1C ZINC000449973223 501142073 /nfs/dbraw/zinc/14/20/73/501142073.db2.gz QLWSQMHVYVVSTK-TZMCWYRMSA-N 1 1 364.287 3.266 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450023873 501157168 /nfs/dbraw/zinc/15/71/68/501157168.db2.gz OURQBRGXTXCZMG-URVUXULASA-N 1 1 354.494 3.092 20 30 FGEDMO C=CCC1(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000450285877 501225880 /nfs/dbraw/zinc/22/58/80/501225880.db2.gz NXTNFHLGRUMUDO-UXHICEINSA-N 1 1 356.510 3.265 20 30 FGEDMO COC[C@@]1(C)CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000451199487 501251463 /nfs/dbraw/zinc/25/14/63/501251463.db2.gz HEUWUWFZQMILCT-NRFANRHFSA-N 1 1 372.513 3.389 20 30 FGEDMO COC[C@@]1(C)CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000451199487 501251464 /nfs/dbraw/zinc/25/14/64/501251464.db2.gz HEUWUWFZQMILCT-NRFANRHFSA-N 1 1 372.513 3.389 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000451323726 501265085 /nfs/dbraw/zinc/26/50/85/501265085.db2.gz JNBWKQZJTWPEOH-OAHLLOKOSA-N 1 1 363.870 3.267 20 30 FGEDMO Cc1cc(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)ncc1C#N ZINC000457602776 501266215 /nfs/dbraw/zinc/26/62/15/501266215.db2.gz WKYZOCQGZIDNNH-IYBDPMFKSA-N 1 1 364.449 3.123 20 30 FGEDMO Cc1cc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)ncc1C#N ZINC000457602776 501266218 /nfs/dbraw/zinc/26/62/18/501266218.db2.gz WKYZOCQGZIDNNH-IYBDPMFKSA-N 1 1 364.449 3.123 20 30 FGEDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)ncc1C#N ZINC000457672443 501283762 /nfs/dbraw/zinc/28/37/62/501283762.db2.gz CDUDSUCJSNQRRG-FUHWJXTLSA-N 1 1 354.841 3.090 20 30 FGEDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)ncc1C#N ZINC000457672443 501283764 /nfs/dbraw/zinc/28/37/64/501283764.db2.gz CDUDSUCJSNQRRG-FUHWJXTLSA-N 1 1 354.841 3.090 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OCC)[C@@H](C)C2)cc1 ZINC000451524675 501313200 /nfs/dbraw/zinc/31/32/00/501313200.db2.gz LNIQIHQRPMNVDS-PXNSSMCTSA-N 1 1 373.497 3.079 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)cc1 ZINC000451524675 501313201 /nfs/dbraw/zinc/31/32/01/501313201.db2.gz LNIQIHQRPMNVDS-PXNSSMCTSA-N 1 1 373.497 3.079 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544080 501318412 /nfs/dbraw/zinc/31/84/12/501318412.db2.gz DMNWEHXVQKHTOY-MDYRTPRTSA-N 1 1 372.469 3.217 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544080 501318415 /nfs/dbraw/zinc/31/84/15/501318415.db2.gz DMNWEHXVQKHTOY-MDYRTPRTSA-N 1 1 372.469 3.217 20 30 FGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@H]1C ZINC000451558753 501324240 /nfs/dbraw/zinc/32/42/40/501324240.db2.gz GOIPFNSCOIZQEE-ZMSDIMECSA-N 1 1 361.511 3.234 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@H]1C ZINC000451558753 501324242 /nfs/dbraw/zinc/32/42/42/501324242.db2.gz GOIPFNSCOIZQEE-ZMSDIMECSA-N 1 1 361.511 3.234 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000453448019 501334189 /nfs/dbraw/zinc/33/41/89/501334189.db2.gz BWVVBGPFKXPXBS-WMZOPIPTSA-N 1 1 359.518 3.016 20 30 FGEDMO NC(=O)CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCOc2ccccc21 ZINC000451705562 501356308 /nfs/dbraw/zinc/35/63/08/501356308.db2.gz FLQBHIAAIBCCTR-IBGZPJMESA-N 1 1 368.864 3.393 20 30 FGEDMO N#Cc1ncc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000455758648 501380180 /nfs/dbraw/zinc/38/01/80/501380180.db2.gz QMVAUNCLKSAQTB-AWEZNQCLSA-N 1 1 355.829 3.003 20 30 FGEDMO C[C@H]1[C@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000455770589 501382827 /nfs/dbraw/zinc/38/28/27/501382827.db2.gz XYISTHNDCQTAOW-SUMWQHHRSA-N 1 1 369.856 3.391 20 30 FGEDMO CC[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+]1CCOC ZINC000458794046 501533451 /nfs/dbraw/zinc/53/34/51/501533451.db2.gz AKMIGPMAVDWHFG-UXHICEINSA-N 1 1 372.513 3.174 20 30 FGEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000454439356 501545586 /nfs/dbraw/zinc/54/55/86/501545586.db2.gz IXMXMQGWMWNOEZ-IAGOWNOFSA-N 1 1 371.525 3.131 20 30 FGEDMO C=CCC1(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCCC1 ZINC000459103785 501594840 /nfs/dbraw/zinc/59/48/40/501594840.db2.gz NFCMAHTWJHWCED-DFNIBXOVSA-N 1 1 363.546 3.406 20 30 FGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459256005 501620043 /nfs/dbraw/zinc/62/00/43/501620043.db2.gz HLJYRXBFPNSZBJ-UHFFFAOYSA-N 1 1 356.514 3.480 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459329644 501632263 /nfs/dbraw/zinc/63/22/63/501632263.db2.gz YZVQFFXHVVDUPF-SFHVURJKSA-N 1 1 361.534 3.284 20 30 FGEDMO N#C[C@H]1C[N@@H+](CCc2cccc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000459362941 501639624 /nfs/dbraw/zinc/63/96/24/501639624.db2.gz QTDXWTPCKLJHFV-MGPUTAFESA-N 1 1 351.837 3.228 20 30 FGEDMO N#C[C@H]1C[N@H+](CCc2cccc(Cl)c2)C[C@@]12C(=O)Nc1ccccc12 ZINC000459362941 501639625 /nfs/dbraw/zinc/63/96/25/501639625.db2.gz QTDXWTPCKLJHFV-MGPUTAFESA-N 1 1 351.837 3.228 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459426514 501651985 /nfs/dbraw/zinc/65/19/85/501651985.db2.gz MVOUFEHUQADDNF-UHFFFAOYSA-N 1 1 352.394 3.213 20 30 FGEDMO Cc1nsc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C#N ZINC000459553192 501675696 /nfs/dbraw/zinc/67/56/96/501675696.db2.gz XABOZSPLCQASQG-UKRRQHHQSA-N 1 1 355.467 3.280 20 30 FGEDMO Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)ncc1C#N ZINC000457487433 501708261 /nfs/dbraw/zinc/70/82/61/501708261.db2.gz PSKUTZAZXKBTOS-UHFFFAOYSA-N 1 1 355.467 3.347 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000457535042 501718300 /nfs/dbraw/zinc/71/83/00/501718300.db2.gz SSQJQFKHLCUKJB-HKBOAZHASA-N 1 1 356.510 3.039 20 30 FGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000467203520 501736066 /nfs/dbraw/zinc/73/60/66/501736066.db2.gz APOKFBFZUOXSKD-YOEHRIQHSA-N 1 1 352.400 3.294 20 30 FGEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000485240295 501766726 /nfs/dbraw/zinc/76/67/26/501766726.db2.gz GNBVVCUNJLXJAK-INIZCTEOSA-N 1 1 352.413 3.252 20 30 FGEDMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000485240295 501766733 /nfs/dbraw/zinc/76/67/33/501766733.db2.gz GNBVVCUNJLXJAK-INIZCTEOSA-N 1 1 352.413 3.252 20 30 FGEDMO C=CCn1c(C)cc(C(=O)CN2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000485255585 501770376 /nfs/dbraw/zinc/77/03/76/501770376.db2.gz UTTPRCZYQPVIIU-NSHGMRRFSA-N 1 1 373.541 3.047 20 30 FGEDMO C=CCn1c(C)cc(C(=O)CN2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000485255585 501770381 /nfs/dbraw/zinc/77/03/81/501770381.db2.gz UTTPRCZYQPVIIU-NSHGMRRFSA-N 1 1 373.541 3.047 20 30 FGEDMO C=CC[N@H+](Cc1cn(C(C)C)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000467461093 501799952 /nfs/dbraw/zinc/79/99/52/501799952.db2.gz WUMWGBGLTYEUCS-QGZVFWFLSA-N 1 1 365.485 3.497 20 30 FGEDMO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460385129 501811270 /nfs/dbraw/zinc/81/12/70/501811270.db2.gz FSZPCUIAMQYPFZ-IAGOWNOFSA-N 1 1 361.534 3.057 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OCCC(C)C)c2)C1=O ZINC000467510914 501811926 /nfs/dbraw/zinc/81/19/26/501811926.db2.gz AUPFKLQRLFIJTQ-SFHVURJKSA-N 1 1 360.498 3.339 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OCCC(C)C)c2)C1=O ZINC000467510914 501811930 /nfs/dbraw/zinc/81/19/30/501811930.db2.gz AUPFKLQRLFIJTQ-SFHVURJKSA-N 1 1 360.498 3.339 20 30 FGEDMO C=CCSc1ccccc1C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000485451997 501824259 /nfs/dbraw/zinc/82/42/59/501824259.db2.gz DZFCQBNXRIGYEK-INIZCTEOSA-N 1 1 360.523 3.290 20 30 FGEDMO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460777202 501919081 /nfs/dbraw/zinc/91/90/81/501919081.db2.gz FSZPCUIAMQYPFZ-IRXDYDNUSA-N 1 1 361.534 3.057 20 30 FGEDMO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000460808029 501926683 /nfs/dbraw/zinc/92/66/83/501926683.db2.gz WDPGOGRVWXDRCC-IRXDYDNUSA-N 1 1 364.497 3.312 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000478694761 502060112 /nfs/dbraw/zinc/06/01/12/502060112.db2.gz AFHLAXVYFMRFAQ-UWVAXJGDSA-N 1 1 357.498 3.341 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000471591066 502078579 /nfs/dbraw/zinc/07/85/79/502078579.db2.gz QOGDPSLRRYVELD-OAQYLSRUSA-N 1 1 372.557 3.046 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000464821668 502106525 /nfs/dbraw/zinc/10/65/25/502106525.db2.gz JBNIEZOJYDYZSQ-HUUCEWRRSA-N 1 1 360.502 3.072 20 30 FGEDMO Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000461461134 502123523 /nfs/dbraw/zinc/12/35/23/502123523.db2.gz RMDMDYMZVLSDQZ-SFHVURJKSA-N 1 1 370.472 3.135 20 30 FGEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000461796741 502205586 /nfs/dbraw/zinc/20/55/86/502205586.db2.gz OJCJDBYFYTVWEG-KRWDZBQOSA-N 1 1 372.513 3.231 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000479351907 502232720 /nfs/dbraw/zinc/23/27/20/502232720.db2.gz XAXOWUKNENZTCB-CALCHBBNSA-N 1 1 354.498 3.215 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)ccc1OC ZINC000475642847 502240853 /nfs/dbraw/zinc/24/08/53/502240853.db2.gz VONQHFSKFVCBPA-WIYYLYMNSA-N 1 1 361.482 3.420 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)ccc1OC ZINC000475642847 502240861 /nfs/dbraw/zinc/24/08/61/502240861.db2.gz VONQHFSKFVCBPA-WIYYLYMNSA-N 1 1 361.482 3.420 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](Nc2nc(C)c(C#N)cc2Cl)[C@H](C)C1 ZINC000461946329 502247689 /nfs/dbraw/zinc/24/76/89/502247689.db2.gz GJWQCKGWEBFAME-CXAGYDPISA-N 1 1 350.894 3.464 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](Nc2nc(C)c(C#N)cc2Cl)[C@@H](C)C1 ZINC000461946336 502247829 /nfs/dbraw/zinc/24/78/29/502247829.db2.gz GJWQCKGWEBFAME-SUMWQHHRSA-N 1 1 350.894 3.464 20 30 FGEDMO Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(Cl)cc1C#N 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ZINC000531927825 504477172 /nfs/dbraw/zinc/47/71/72/504477172.db2.gz MYCPLFOVRIZXOS-MOPGFXCFSA-N 1 1 359.470 3.016 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[NH+]2CC(c3nc4ccccc4s3)C2)cc1 ZINC000539143074 504486348 /nfs/dbraw/zinc/48/63/48/504486348.db2.gz XBINIFDWSVFYFS-INIZCTEOSA-N 1 1 365.458 3.007 20 30 FGEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)c1C#N ZINC000539263561 504515815 /nfs/dbraw/zinc/51/58/15/504515815.db2.gz YNKAUJHDJFITKE-OAHLLOKOSA-N 1 1 360.417 3.381 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000532098314 504533409 /nfs/dbraw/zinc/53/34/09/504533409.db2.gz HBBHCTPGEUCRCK-HNNXBMFYSA-N 1 1 351.878 3.049 20 30 FGEDMO C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000520606960 504539474 /nfs/dbraw/zinc/53/94/74/504539474.db2.gz WIRJXIBTNJKXEV-QGZVFWFLSA-N 1 1 369.509 3.486 20 30 FGEDMO COCc1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000529210692 504585785 /nfs/dbraw/zinc/58/57/85/504585785.db2.gz DDZQWKMBWMKRBT-HOTGVXAUSA-N 1 1 370.497 3.479 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000532493120 504669163 /nfs/dbraw/zinc/66/91/63/504669163.db2.gz DCLBRJNJSQUKGJ-CXAGYDPISA-N 1 1 366.303 3.324 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1 ZINC000532493120 504669165 /nfs/dbraw/zinc/66/91/65/504669165.db2.gz DCLBRJNJSQUKGJ-CXAGYDPISA-N 1 1 366.303 3.324 20 30 FGEDMO CC#CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000536459930 504739570 /nfs/dbraw/zinc/73/95/70/504739570.db2.gz MJBHKBOQEWVKLW-WBVHZDCISA-N 1 1 367.415 3.411 20 30 FGEDMO Cc1csc(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000565162324 504812414 /nfs/dbraw/zinc/81/24/14/504812414.db2.gz LVOCDKYLJPWGTM-ZNMIVQPWSA-N 1 1 362.499 3.034 20 30 FGEDMO Cc1csc(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000565162324 504812419 /nfs/dbraw/zinc/81/24/19/504812419.db2.gz LVOCDKYLJPWGTM-ZNMIVQPWSA-N 1 1 362.499 3.034 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000565169739 504815401 /nfs/dbraw/zinc/81/54/01/504815401.db2.gz HFWDIMUZKDZUBE-AEFFLSMTSA-N 1 1 366.440 3.345 20 30 FGEDMO N#Cc1cc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)ccn1 ZINC000553147604 504838292 /nfs/dbraw/zinc/83/82/92/504838292.db2.gz HRXLVXWLQWPEHN-UHFFFAOYSA-N 1 1 371.282 3.214 20 30 FGEDMO C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000562564372 504860773 /nfs/dbraw/zinc/86/07/73/504860773.db2.gz SCHJOEIAXCKJMI-DJJJIMSYSA-N 1 1 371.872 3.333 20 30 FGEDMO N#Cc1ncccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549617766 504861219 /nfs/dbraw/zinc/86/12/19/504861219.db2.gz LLKWRJRUMIIBSZ-IBGZPJMESA-N 1 1 362.477 3.294 20 30 FGEDMO CCN1CC[C@H]([NH2+]Cc2ncc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565353359 504863648 /nfs/dbraw/zinc/86/36/48/504863648.db2.gz WBEWHUPQSNDORP-WMZOPIPTSA-N 1 1 359.836 3.066 20 30 FGEDMO C=CCOCC[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000549996808 504948636 /nfs/dbraw/zinc/94/86/36/504948636.db2.gz AJFXNICHXGRHNH-UHFFFAOYSA-N 1 1 372.303 3.233 20 30 FGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)COc1ccccc1Cl ZINC000565681028 504957057 /nfs/dbraw/zinc/95/70/57/504957057.db2.gz SSZXZPJXHMNNEA-SFHVURJKSA-N 1 1 374.868 3.100 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)s2)C1 ZINC000562931821 504991058 /nfs/dbraw/zinc/99/10/58/504991058.db2.gz SWXDDFMMNPEKRY-HOCLYGCPSA-N 1 1 354.479 3.254 20 30 FGEDMO Cc1cc([C@@H]2CCCN2CC#CC[N@@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157529 505005958 /nfs/dbraw/zinc/00/59/58/505005958.db2.gz XLKGESBXTLCUGL-ROUUACIJSA-N 1 1 354.454 3.257 20 30 FGEDMO Cc1cc([C@@H]2CCCN2CC#CC[N@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157529 505005964 /nfs/dbraw/zinc/00/59/64/505005964.db2.gz XLKGESBXTLCUGL-ROUUACIJSA-N 1 1 354.454 3.257 20 30 FGEDMO CC(C)n1cc([C@H](C)NCC#CC[NH2+][C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000560165075 505008467 /nfs/dbraw/zinc/00/84/67/505008467.db2.gz BDCJYHPGUOJAGB-ROUUACIJSA-N 1 1 356.518 3.246 20 30 FGEDMO C[N@H+](CC(=O)NCc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000556901207 505011446 /nfs/dbraw/zinc/01/14/46/505011446.db2.gz KSRDQSWQCJWSFU-UHFFFAOYSA-N 1 1 351.450 3.117 20 30 FGEDMO C[N@@H+](CC(=O)NCc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000556901207 505011450 /nfs/dbraw/zinc/01/14/50/505011450.db2.gz KSRDQSWQCJWSFU-UHFFFAOYSA-N 1 1 351.450 3.117 20 30 FGEDMO CC1(C)C[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000550444480 505045766 /nfs/dbraw/zinc/04/57/66/505045766.db2.gz LUKVPDNXCXAPSC-ZWKOTPCHSA-N 1 1 363.465 3.193 20 30 FGEDMO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000566018406 505057230 /nfs/dbraw/zinc/05/72/30/505057230.db2.gz COJDGNYFGQCHAR-OAHLLOKOSA-N 1 1 350.422 3.333 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c([N+](=O)[O-])c1 ZINC000566302490 505139149 /nfs/dbraw/zinc/13/91/49/505139149.db2.gz YVLFIFKPMKIEOZ-GOSISDBHSA-N 1 1 359.426 3.017 20 30 FGEDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2cccc(-n3cccn3)c2C#N)CC1 ZINC000566479978 505187033 /nfs/dbraw/zinc/18/70/33/505187033.db2.gz VQLSIURXAGZTDW-KRWDZBQOSA-N 1 1 358.449 3.022 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551263205 505188394 /nfs/dbraw/zinc/18/83/94/505188394.db2.gz JGDWUORJCLKGAV-QRWLVFNGSA-N 1 1 351.425 3.338 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551263206 505188639 /nfs/dbraw/zinc/18/86/39/505188639.db2.gz JGDWUORJCLKGAV-YWZLYKJASA-N 1 1 351.425 3.338 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000551419949 505222653 /nfs/dbraw/zinc/22/26/53/505222653.db2.gz RIBYRADLMCFKHG-WOJBJXKFSA-N 1 1 355.482 3.194 20 30 FGEDMO C=CC[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)CCc1ccccc1 ZINC000557822548 505238542 /nfs/dbraw/zinc/23/85/42/505238542.db2.gz RZQRJTPPJNDDHS-UHFFFAOYSA-N 1 1 365.477 3.133 20 30 FGEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563815681 505247417 /nfs/dbraw/zinc/24/74/17/505247417.db2.gz QWTWVQAQQUFMJY-INIZCTEOSA-N 1 1 354.414 3.018 20 30 FGEDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000563912742 505273756 /nfs/dbraw/zinc/27/37/56/505273756.db2.gz MGHVFICKBDGLEF-KRWDZBQOSA-N 1 1 352.438 3.160 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](Cc2ccc(OC)cc2OC)CC2CCC2)C1=O ZINC000554839736 505276834 /nfs/dbraw/zinc/27/68/34/505276834.db2.gz LYDNVGPZAHVCNE-IBGZPJMESA-N 1 1 358.482 3.093 20 30 FGEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000561229351 505286711 /nfs/dbraw/zinc/28/67/11/505286711.db2.gz MBGUCKXAHPBEKW-QGZVFWFLSA-N 1 1 368.477 3.123 20 30 FGEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000561229351 505286714 /nfs/dbraw/zinc/28/67/14/505286714.db2.gz MBGUCKXAHPBEKW-QGZVFWFLSA-N 1 1 368.477 3.123 20 30 FGEDMO C=CCc1cc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc(OC)c1OC ZINC000558020504 505288015 /nfs/dbraw/zinc/28/80/15/505288015.db2.gz CDQZCHHPDIILIU-GPMSIDNRSA-N 1 1 372.509 3.235 20 30 FGEDMO N#Cc1ccncc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000563991604 505297762 /nfs/dbraw/zinc/29/77/62/505297762.db2.gz YKXOEQXZOYYFRF-SFHVURJKSA-N 1 1 354.841 3.174 20 30 FGEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000555111506 505352277 /nfs/dbraw/zinc/35/22/77/505352277.db2.gz CZAPEDIFLHJKGU-HNNXBMFYSA-N 1 1 355.438 3.189 20 30 FGEDMO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000555243436 505389392 /nfs/dbraw/zinc/38/93/92/505389392.db2.gz TZHFAUFPUBYWJV-KRWDZBQOSA-N 1 1 371.916 3.383 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000558475631 505402774 /nfs/dbraw/zinc/40/27/74/505402774.db2.gz FNMPACJTMCGJAZ-DZUNHNSSSA-N 1 1 373.541 3.339 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000558475631 505402775 /nfs/dbraw/zinc/40/27/75/505402775.db2.gz FNMPACJTMCGJAZ-DZUNHNSSSA-N 1 1 373.541 3.339 20 30 FGEDMO C=CCOc1ccccc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000552200691 505427696 /nfs/dbraw/zinc/42/76/96/505427696.db2.gz MMHQKOMIGUKLEF-SFHVURJKSA-N 1 1 352.434 3.070 20 30 FGEDMO C=CCOc1ccc(Cc2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000567324918 505429533 /nfs/dbraw/zinc/42/95/33/505429533.db2.gz MIHOYDPBSYFARW-YLJYHZDGSA-N 1 1 355.438 3.151 20 30 FGEDMO C=CCOc1ccc(Cc2nc([C@H]3C[N@@H+]4CCC[C@]4(C)CO3)no2)cc1 ZINC000567324918 505429536 /nfs/dbraw/zinc/42/95/36/505429536.db2.gz MIHOYDPBSYFARW-YLJYHZDGSA-N 1 1 355.438 3.151 20 30 FGEDMO C=CCOCC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000555423668 505429715 /nfs/dbraw/zinc/42/97/15/505429715.db2.gz MJEFJFOCRCMFEL-LLVKDONJSA-N 1 1 352.232 3.352 20 30 FGEDMO N#Cc1ccc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000558609679 505439198 /nfs/dbraw/zinc/43/91/98/505439198.db2.gz UIKMXWNESOTNGF-GOSISDBHSA-N 1 1 368.462 3.496 20 30 FGEDMO N#Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000567403463 505452329 /nfs/dbraw/zinc/45/23/29/505452329.db2.gz JSRHGSZQALAQFJ-QGZVFWFLSA-N 1 1 366.440 3.383 20 30 FGEDMO C=C(C)COc1cc(C[N@H+](C)CC(=O)NCc2ccccc2)ccc1OC ZINC000552299622 505454803 /nfs/dbraw/zinc/45/48/03/505454803.db2.gz IWMRHYIZZDVSIB-UHFFFAOYSA-N 1 1 368.477 3.398 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+](C)CC(=O)NCc2ccccc2)ccc1OC ZINC000552299622 505454806 /nfs/dbraw/zinc/45/48/06/505454806.db2.gz IWMRHYIZZDVSIB-UHFFFAOYSA-N 1 1 368.477 3.398 20 30 FGEDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000561901002 505463497 /nfs/dbraw/zinc/46/34/97/505463497.db2.gz OQXLZUYWEPJVSR-ZDUSSCGKSA-N 1 1 353.388 3.131 20 30 FGEDMO COc1ccccc1[C@H]([NH2+]CCn1cnc(C#N)n1)c1ccccc1Cl ZINC000552340008 505466389 /nfs/dbraw/zinc/46/63/89/505466389.db2.gz IWHMALOTJXIGLJ-LJQANCHMSA-N 1 1 367.840 3.191 20 30 FGEDMO C[C@@H](C#N)CN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)C1CC1 ZINC000552365592 505473776 /nfs/dbraw/zinc/47/37/76/505473776.db2.gz JWCGXDTVMLSBMO-YJBOKZPZSA-N 1 1 361.436 3.294 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000555618222 505476071 /nfs/dbraw/zinc/47/60/71/505476071.db2.gz LKOZETFEILSHNJ-UHFFFAOYSA-N 1 1 352.463 3.063 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000555686655 505491899 /nfs/dbraw/zinc/49/18/99/505491899.db2.gz XYTPLANTLZNNSC-YLJYHZDGSA-N 1 1 372.852 3.105 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH+](CCC)CC1 ZINC000562050000 505502503 /nfs/dbraw/zinc/50/25/03/505502503.db2.gz JUSVMSSPWCSDFU-UHFFFAOYSA-N 1 1 356.388 3.438 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2CC2CCC2)cc1Cl ZINC000555759514 505508961 /nfs/dbraw/zinc/50/89/61/505508961.db2.gz MJYFWPZAFPPHEB-QGZVFWFLSA-N 1 1 361.873 3.431 20 30 FGEDMO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000558995962 505547481 /nfs/dbraw/zinc/54/74/81/505547481.db2.gz UMCUMLDJMAZFJL-QGZVFWFLSA-N 1 1 359.543 3.283 20 30 FGEDMO C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562239170 505548703 /nfs/dbraw/zinc/54/87/03/505548703.db2.gz MEBHZOCCMCEXGJ-YWZLYKJASA-N 1 1 366.421 3.168 20 30 FGEDMO C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562239170 505548706 /nfs/dbraw/zinc/54/87/06/505548706.db2.gz MEBHZOCCMCEXGJ-YWZLYKJASA-N 1 1 366.421 3.168 20 30 FGEDMO CC[N@H+](CCC1CCN(Cc2cnc3c(C#N)cnn3c2)CC1)CC(C)C ZINC000567887908 505570197 /nfs/dbraw/zinc/57/01/97/505570197.db2.gz UOOJQJLUHLDOMX-UHFFFAOYSA-N 1 1 368.529 3.181 20 30 FGEDMO CC[N@@H+](CCC1CCN(Cc2cnc3c(C#N)cnn3c2)CC1)CC(C)C ZINC000567887908 505570198 /nfs/dbraw/zinc/57/01/98/505570198.db2.gz UOOJQJLUHLDOMX-UHFFFAOYSA-N 1 1 368.529 3.181 20 30 FGEDMO COCC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H](C)c1ccccc1 ZINC000599271050 506391463 /nfs/dbraw/zinc/39/14/63/506391463.db2.gz HIKDXTINBLXJPR-PXNSSMCTSA-N 1 1 354.450 3.008 20 30 FGEDMO Cc1ccc(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000599274105 506393937 /nfs/dbraw/zinc/39/39/37/506393937.db2.gz ZIZHIEGNYZTAGO-UHFFFAOYSA-N 1 1 372.490 3.171 20 30 FGEDMO Cc1ccc(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000599274105 506393948 /nfs/dbraw/zinc/39/39/48/506393948.db2.gz ZIZHIEGNYZTAGO-UHFFFAOYSA-N 1 1 372.490 3.171 20 30 FGEDMO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000588959855 506396168 /nfs/dbraw/zinc/39/61/68/506396168.db2.gz VNIQMFUYNCZEFJ-NRFANRHFSA-N 1 1 364.493 3.451 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000582759876 506401910 /nfs/dbraw/zinc/40/19/10/506401910.db2.gz RDNMSSLBJOOMMI-PLACYPQZSA-N 1 1 370.493 3.070 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)CCOCC1 ZINC000599304286 506405048 /nfs/dbraw/zinc/40/50/48/506405048.db2.gz PTABOJAFLKXCPX-QZTJIDSGSA-N 1 1 360.523 3.172 20 30 FGEDMO CCc1nnc(N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c(C#N)c1CC ZINC000596460950 506416900 /nfs/dbraw/zinc/41/69/00/506416900.db2.gz BOKPPEATGWEZOC-SFHVURJKSA-N 1 1 363.509 3.226 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccnc(C#N)c2)[C@@H]1c1cccs1 ZINC000603129820 506431847 /nfs/dbraw/zinc/43/18/47/506431847.db2.gz PEEZNPCZGWXDJU-SUMWQHHRSA-N 1 1 355.467 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371.481 3.187 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCc2ccc(C#N)cc2)C1 ZINC000596670228 506523652 /nfs/dbraw/zinc/52/36/52/506523652.db2.gz BPZBGMJNLYNZJX-NRFANRHFSA-N 1 1 362.477 3.017 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599638959 506544635 /nfs/dbraw/zinc/54/46/35/506544635.db2.gz UMLNKNTZJLXIAL-GQIGUUNPSA-N 1 1 373.522 3.114 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599638959 506544643 /nfs/dbraw/zinc/54/46/43/506544643.db2.gz UMLNKNTZJLXIAL-GQIGUUNPSA-N 1 1 373.522 3.114 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000583021272 506545717 /nfs/dbraw/zinc/54/57/17/506545717.db2.gz OHVLBZNZGAYZRU-DFGXFYAUSA-N 1 1 363.527 3.021 20 30 FGEDMO N#Cc1cccc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000589455682 506553791 /nfs/dbraw/zinc/55/37/91/506553791.db2.gz IDVANCQRRBDLNO-UHFFFAOYSA-N 1 1 360.461 3.082 20 30 FGEDMO 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/nfs/dbraw/zinc/58/07/08/506580708.db2.gz SHHWKRNEMJOAHW-KRWDZBQOSA-N 1 1 359.473 3.479 20 30 FGEDMO C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686471 506580715 /nfs/dbraw/zinc/58/07/15/506580715.db2.gz SHHWKRNEMJOAHW-KRWDZBQOSA-N 1 1 359.473 3.479 20 30 FGEDMO N#CCc1cccc2c1CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C2 ZINC000599685238 506580891 /nfs/dbraw/zinc/58/08/91/506580891.db2.gz BGSHDLUDSHMZNH-SFHVURJKSA-N 1 1 356.853 3.204 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000596846032 506634830 /nfs/dbraw/zinc/63/48/30/506634830.db2.gz LESMQKYGVGWOJQ-HNNXBMFYSA-N 1 1 359.474 3.006 20 30 FGEDMO Cc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(C#N)cc1N(C)C ZINC000599786605 506636678 /nfs/dbraw/zinc/63/66/78/506636678.db2.gz FODGCOHYAZEVOQ-KRWDZBQOSA-N 1 1 355.486 3.071 20 30 FGEDMO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)cn1 ZINC000612586767 506639214 /nfs/dbraw/zinc/63/92/14/506639214.db2.gz LPRLGDILISWIEC-UHFFFAOYSA-N 1 1 355.438 3.413 20 30 FGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)cn1 ZINC000612586767 506639218 /nfs/dbraw/zinc/63/92/18/506639218.db2.gz LPRLGDILISWIEC-UHFFFAOYSA-N 1 1 355.438 3.413 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1C#N ZINC000603859814 506639467 /nfs/dbraw/zinc/63/94/67/506639467.db2.gz WVWXZPHRVIUUFY-OAHLLOKOSA-N 1 1 365.437 3.270 20 30 FGEDMO CCOc1cc(C[NH2+]CC(C)(C)C#N)ccc1OCC(=O)N1CCCCC1 ZINC000612585022 506639414 /nfs/dbraw/zinc/63/94/14/506639414.db2.gz MQALXSJPRBSDAI-UHFFFAOYSA-N 1 1 373.497 3.116 20 30 FGEDMO Cc1ccccc1OCCC[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000603869755 506643090 /nfs/dbraw/zinc/64/30/90/506643090.db2.gz IPXZHTMJFQUFNM-UHFFFAOYSA-N 1 1 357.498 3.381 20 30 FGEDMO COc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(F)cc1C#N ZINC000599817791 506654955 /nfs/dbraw/zinc/65/49/55/506654955.db2.gz XBJWQKOQFYTDFI-AWEZNQCLSA-N 1 1 362.449 3.195 20 30 FGEDMO CC[C@@H](C#N)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000593528598 506671893 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Cn1nc(CNC2CC[NH+](Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000593693427 506734678 /nfs/dbraw/zinc/73/46/78/506734678.db2.gz YVTZLMWWRPVHEZ-UHFFFAOYSA-N 1 1 359.477 3.199 20 30 FGEDMO CCN(C(=O)CNc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000612837421 506773417 /nfs/dbraw/zinc/77/34/17/506773417.db2.gz RKNOBNUKMRMXNZ-OAQYLSRUSA-N 1 1 362.477 3.093 20 30 FGEDMO N#CCC1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)C1 ZINC000600100438 506776452 /nfs/dbraw/zinc/77/64/52/506776452.db2.gz TYGHRIHGDNPUSJ-RTBURBONSA-N 1 1 365.502 3.336 20 30 FGEDMO N#CCn1c(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc2ccccc21 ZINC000609166509 506802019 /nfs/dbraw/zinc/80/20/19/506802019.db2.gz FRUANAHHZDEQGW-UHFFFAOYSA-N 1 1 364.474 3.014 20 30 FGEDMO N#CCn1c(C(=O)NCC[N@H+]2CCc3sccc3C2)cc2ccccc21 ZINC000609166509 506802027 /nfs/dbraw/zinc/80/20/27/506802027.db2.gz FRUANAHHZDEQGW-UHFFFAOYSA-N 1 1 364.474 3.014 20 30 FGEDMO C[C@H](c1cccc(NCC(=O)Nc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000609221067 506817580 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CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccccc1CC#N ZINC000590590784 506870676 /nfs/dbraw/zinc/87/06/76/506870676.db2.gz BCXRQWHWBHXAOG-UHFFFAOYSA-N 1 1 371.506 3.071 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000594007461 506879266 /nfs/dbraw/zinc/87/92/66/506879266.db2.gz WYWLQYZNEISXFK-JBYIUTFZSA-N 1 1 361.489 3.374 20 30 FGEDMO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432097 506880376 /nfs/dbraw/zinc/88/03/76/506880376.db2.gz CDLDWVPSVITBMV-KRWDZBQOSA-N 1 1 365.477 3.136 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)C1 ZINC000597308648 506888984 /nfs/dbraw/zinc/88/89/84/506888984.db2.gz CHWLXNGLHVLDPT-MRXNPFEDSA-N 1 1 355.388 3.183 20 30 FGEDMO N#Cc1ccnc(N2CC[NH+](Cc3cc4cc(Cl)cnc4o3)CC2)c1 ZINC000590638581 506891453 /nfs/dbraw/zinc/89/14/53/506891453.db2.gz LPFZUUAUNNITOD-UHFFFAOYSA-N 1 1 353.813 3.070 20 30 FGEDMO CC(C)[C@@H](C#N)N1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000609486049 506896658 /nfs/dbraw/zinc/89/66/58/506896658.db2.gz CDDFOLKMSMBZJD-QGZVFWFLSA-N 1 1 355.404 3.250 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000597371695 506918314 /nfs/dbraw/zinc/91/83/14/506918314.db2.gz JUJMQDGLTMECPK-CZUORRHYSA-N 1 1 355.388 3.229 20 30 FGEDMO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000609638245 506957302 /nfs/dbraw/zinc/95/73/02/506957302.db2.gz ABEONJSXTVTQPR-GOSISDBHSA-N 1 1 364.449 3.353 20 30 FGEDMO N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600472126 506963102 /nfs/dbraw/zinc/96/31/02/506963102.db2.gz MXBCXTUIPOLCNJ-IBGZPJMESA-N 1 1 355.482 3.240 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000609744636 506987756 /nfs/dbraw/zinc/98/77/56/506987756.db2.gz NVSCWTYBMWRJBZ-FQEVSTJZSA-N 1 1 354.425 3.144 20 30 FGEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000583845602 507004759 /nfs/dbraw/zinc/00/47/59/507004759.db2.gz WWARLWLUKDCUPV-KRWDZBQOSA-N 1 1 354.498 3.477 20 30 FGEDMO C[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)[N@H+]1CCc2ccccc2C1 ZINC000594212212 507013246 /nfs/dbraw/zinc/01/32/46/507013246.db2.gz LEICSXVBMBLNIC-MRXNPFEDSA-N 1 1 360.461 3.030 20 30 FGEDMO CC(C)C[C@@H](CNc1ccc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000609849468 507023769 /nfs/dbraw/zinc/02/37/69/507023769.db2.gz GDONCRSYXRBKEY-INIZCTEOSA-N 1 1 366.303 3.480 20 30 FGEDMO C[C@@H](CCNC(=O)N1Cc2ccc(C#N)cc2C1)[N@@H+](C)Cc1ccccc1 ZINC000594235707 507032475 /nfs/dbraw/zinc/03/24/75/507032475.db2.gz SKVOBJNYUJEOKE-KRWDZBQOSA-N 1 1 362.477 3.494 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)C(C)(C)CO)c1C#N ZINC000609894945 507041244 /nfs/dbraw/zinc/04/12/44/507041244.db2.gz QZTGSJUHTFIXFQ-UHFFFAOYSA-N 1 1 360.502 3.123 20 30 FGEDMO CCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000610002322 507067157 /nfs/dbraw/zinc/06/71/57/507067157.db2.gz YJMLZBOZLJWGHO-UYAOXDASSA-N 1 1 357.498 3.440 20 30 FGEDMO CCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000610002322 507067166 /nfs/dbraw/zinc/06/71/66/507067166.db2.gz YJMLZBOZLJWGHO-UYAOXDASSA-N 1 1 357.498 3.440 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]3COC[C@@H]32)sc2c1CCCCC2 ZINC000590972380 507068133 /nfs/dbraw/zinc/06/81/33/507068133.db2.gz ODLQLBNACRHNKT-PBHICJAKSA-N 1 1 373.522 3.328 20 30 FGEDMO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1C#N ZINC000597715588 507071433 /nfs/dbraw/zinc/07/14/33/507071433.db2.gz NJGYTWKNXZBQIS-FQEVSTJZSA-N 1 1 370.522 3.110 20 30 FGEDMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000591016827 507079007 /nfs/dbraw/zinc/07/90/07/507079007.db2.gz VHKIMMRHBXRZNW-UHFFFAOYSA-N 1 1 353.470 3.410 20 30 FGEDMO C[C@H](CC#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000597763769 507089537 /nfs/dbraw/zinc/08/95/37/507089537.db2.gz IRXJEPLZZWOARH-TYCQWZJGSA-N 1 1 365.452 3.460 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000594356393 507090716 /nfs/dbraw/zinc/09/07/16/507090716.db2.gz PWUIDCLWKBGFLB-AVRDEDQJSA-N 1 1 361.489 3.122 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000594356393 507090726 /nfs/dbraw/zinc/09/07/26/507090726.db2.gz PWUIDCLWKBGFLB-AVRDEDQJSA-N 1 1 361.489 3.122 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@@H]1C ZINC000610125514 507106979 /nfs/dbraw/zinc/10/69/79/507106979.db2.gz AKTOPHSUGMJETH-GUYCJALGSA-N 1 1 374.554 3.302 20 30 FGEDMO COc1ccc2c(c1)CCC[N@H+](CCOc1ccc(C#N)cc1OC)C2 ZINC000610133104 507111982 /nfs/dbraw/zinc/11/19/82/507111982.db2.gz OQGWIDJTFFHMNS-UHFFFAOYSA-N 1 1 352.434 3.403 20 30 FGEDMO C=CC1CC[NH+]([C@@H]2CC(=O)N(c3cc(C)c(Cl)cc3OC)C2=O)CC1 ZINC000600796248 507127727 /nfs/dbraw/zinc/12/77/27/507127727.db2.gz LDQNCJYBVZWDBK-MRXNPFEDSA-N 1 1 362.857 3.187 20 30 FGEDMO C=CCOCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000591139180 507128820 /nfs/dbraw/zinc/12/88/20/507128820.db2.gz DVVJMVPFLINDLZ-SFHVURJKSA-N 1 1 356.491 3.166 20 30 FGEDMO C=CCOCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000591139180 507128826 /nfs/dbraw/zinc/12/88/26/507128826.db2.gz DVVJMVPFLINDLZ-SFHVURJKSA-N 1 1 356.491 3.166 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000610323859 507195203 /nfs/dbraw/zinc/19/52/03/507195203.db2.gz KJNNQJNIOZJOKF-GOSISDBHSA-N 1 1 352.413 3.436 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)noc1C ZINC000610342475 507202162 /nfs/dbraw/zinc/20/21/62/507202162.db2.gz XQNBTQBGEUZMDW-ZFWWWQNUSA-N 1 1 370.453 3.286 20 30 FGEDMO C[C@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)c1cccc(C#N)c1 ZINC000610357236 507212162 /nfs/dbraw/zinc/21/21/62/507212162.db2.gz JGSAQMMOMOJAAF-INIZCTEOSA-N 1 1 368.506 3.251 20 30 FGEDMO CC(C)(C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC000600977376 507212176 /nfs/dbraw/zinc/21/21/76/507212176.db2.gz FVXMKBNCKYZJJN-HXUWFJFHSA-N 1 1 369.509 3.188 20 30 FGEDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 ZINC000600977376 507212182 /nfs/dbraw/zinc/21/21/82/507212182.db2.gz FVXMKBNCKYZJJN-HXUWFJFHSA-N 1 1 369.509 3.188 20 30 FGEDMO C=CCCSCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000594711422 507248981 /nfs/dbraw/zinc/24/89/81/507248981.db2.gz NEDPDODSNFZKFC-ZDUSSCGKSA-N 1 1 361.280 3.014 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000610585064 507307838 /nfs/dbraw/zinc/30/78/38/507307838.db2.gz SEGJBIUGLKUABC-SFHVURJKSA-N 1 1 352.413 3.436 20 30 FGEDMO N#CC1(c2ccc(CNC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)cc2)CC1 ZINC000594931855 507319733 /nfs/dbraw/zinc/31/97/33/507319733.db2.gz SPKRWCGWWAMXLI-NHCUHLMSSA-N 1 1 353.510 3.099 20 30 FGEDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610721827 507365052 /nfs/dbraw/zinc/36/50/52/507365052.db2.gz LQWRZJXHERTWPX-RHSMWYFYSA-N 1 1 372.415 3.390 20 30 FGEDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610721827 507365059 /nfs/dbraw/zinc/36/50/59/507365059.db2.gz LQWRZJXHERTWPX-RHSMWYFYSA-N 1 1 372.415 3.390 20 30 FGEDMO CC[NH+]1CCN(c2ccc(C(=O)NCC3(C#N)CCCCC3)cc2F)CC1 ZINC000598307629 507371193 /nfs/dbraw/zinc/37/11/93/507371193.db2.gz BFAZDSIFOPWWBX-UHFFFAOYSA-N 1 1 372.488 3.171 20 30 FGEDMO CC(C)(C#N)c1ccc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 ZINC000614168854 507393530 /nfs/dbraw/zinc/39/35/30/507393530.db2.gz YKDLMXZBKBJVPC-HXUWFJFHSA-N 1 1 369.509 3.091 20 30 FGEDMO CC(C)(C#N)c1ccc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 ZINC000614168854 507393534 /nfs/dbraw/zinc/39/35/34/507393534.db2.gz YKDLMXZBKBJVPC-HXUWFJFHSA-N 1 1 369.509 3.091 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000601632131 507408404 /nfs/dbraw/zinc/40/84/04/507408404.db2.gz KMEHTUUFNKRBAN-YLJYHZDGSA-N 1 1 354.498 3.090 20 30 FGEDMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(C#N)c1 ZINC000610947518 507450516 /nfs/dbraw/zinc/45/05/16/507450516.db2.gz YCLVFOOYJDUITD-CVAIRZPRSA-N 1 1 352.482 3.278 20 30 FGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595297061 507452871 /nfs/dbraw/zinc/45/28/71/507452871.db2.gz PEHAVALPGCJNSV-FQEVSTJZSA-N 1 1 371.525 3.291 20 30 FGEDMO CC(C)(C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)c1cc(F)cc(C#N)c1 ZINC000598509116 507466535 /nfs/dbraw/zinc/46/65/35/507466535.db2.gz GKJMMODVXJBDGS-HXUWFJFHSA-N 1 1 365.452 3.366 20 30 FGEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CCn1cc(Br)cn1 ZINC000584744051 507478913 /nfs/dbraw/zinc/47/89/13/507478913.db2.gz LXXAFOYQXOFGDQ-UHFFFAOYSA-N 1 1 352.663 3.283 20 30 FGEDMO CSc1ccccc1OC[C@H](O)C[N@H+](Cc1ccncc1C#N)C(C)C ZINC000592124433 507492248 /nfs/dbraw/zinc/49/22/48/507492248.db2.gz CQKBFLUMBHRGKA-GOSISDBHSA-N 1 1 371.506 3.325 20 30 FGEDMO CSc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccncc1C#N)C(C)C ZINC000592124433 507492254 /nfs/dbraw/zinc/49/22/54/507492254.db2.gz CQKBFLUMBHRGKA-GOSISDBHSA-N 1 1 371.506 3.325 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1C#N ZINC000592134709 507498445 /nfs/dbraw/zinc/49/84/45/507498445.db2.gz AQAYCJOKCGWTCQ-XLIONFOSSA-N 1 1 350.466 3.443 20 30 FGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1C#N ZINC000592134708 507498926 /nfs/dbraw/zinc/49/89/26/507498926.db2.gz AQAYCJOKCGWTCQ-PXNSSMCTSA-N 1 1 350.466 3.443 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000584795344 507509531 /nfs/dbraw/zinc/50/95/31/507509531.db2.gz MUDJZSXGGVOOSW-INIZCTEOSA-N 1 1 363.452 3.066 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000598594845 507510630 /nfs/dbraw/zinc/51/06/30/507510630.db2.gz FBMVIBRNQLMRAG-RDJZCZTQSA-N 1 1 372.444 3.356 20 30 FGEDMO C[C@@H](C#N)CN(C(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000611086891 507510857 /nfs/dbraw/zinc/51/08/57/507510857.db2.gz KZLFHAQFLDPWPR-YESZJQIVSA-N 1 1 355.482 3.060 20 30 FGEDMO C[C@@H](C#N)CN(C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000611086891 507510865 /nfs/dbraw/zinc/51/08/65/507510865.db2.gz KZLFHAQFLDPWPR-YESZJQIVSA-N 1 1 355.482 3.060 20 30 FGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000598597329 507512651 /nfs/dbraw/zinc/51/26/51/507512651.db2.gz ZNJWVHWGTTUDON-NVXWUHKLSA-N 1 1 372.444 3.356 20 30 FGEDMO C[N@@H+]1CC[C@@H](NC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000611177067 507547948 /nfs/dbraw/zinc/54/79/48/507547948.db2.gz NEVCBZFGOHGPPB-UYAOXDASSA-N 1 1 368.868 3.185 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000611177067 507547956 /nfs/dbraw/zinc/54/79/56/507547956.db2.gz NEVCBZFGOHGPPB-UYAOXDASSA-N 1 1 368.868 3.185 20 30 FGEDMO C[C@@H](CCNC(=O)NCCc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000595536976 507548692 /nfs/dbraw/zinc/54/86/92/507548692.db2.gz YZGCDEGWLPDRNV-SFHVURJKSA-N 1 1 364.493 3.311 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2cccc(CNCc3cccc(F)c3C#N)c2)CCO1 ZINC000602004387 507549872 /nfs/dbraw/zinc/54/98/72/507549872.db2.gz DIYOKAYRHOZWAQ-MRXNPFEDSA-N 1 1 353.441 3.208 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2cccc(CNCc3cccc(F)c3C#N)c2)CCO1 ZINC000602004387 507549880 /nfs/dbraw/zinc/54/98/80/507549880.db2.gz DIYOKAYRHOZWAQ-MRXNPFEDSA-N 1 1 353.441 3.208 20 30 FGEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000614574659 507568163 /nfs/dbraw/zinc/56/81/63/507568163.db2.gz WVEDJFHMICFRTG-OAHLLOKOSA-N 1 1 365.441 3.143 20 30 FGEDMO CCC[C@H]1CN(c2c(C#N)cnc3c(F)ccc(F)c32)CC[N@H+]1CCOC ZINC000611227943 507571360 /nfs/dbraw/zinc/57/13/60/507571360.db2.gz FMUVGLQKADJWGJ-HNNXBMFYSA-N 1 1 374.435 3.322 20 30 FGEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1c[nH]cn1 ZINC000595597801 507583520 /nfs/dbraw/zinc/58/35/20/507583520.db2.gz WNPIHKMDIMYAAE-UHFFFAOYSA-N 1 1 357.483 3.072 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1c[nH]cn1 ZINC000595597801 507583522 /nfs/dbraw/zinc/58/35/22/507583522.db2.gz WNPIHKMDIMYAAE-UHFFFAOYSA-N 1 1 357.483 3.072 20 30 FGEDMO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cnc[nH]1 ZINC000595597801 507583523 /nfs/dbraw/zinc/58/35/23/507583523.db2.gz WNPIHKMDIMYAAE-UHFFFAOYSA-N 1 1 357.483 3.072 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cnc[nH]1 ZINC000595597801 507583525 /nfs/dbraw/zinc/58/35/25/507583525.db2.gz WNPIHKMDIMYAAE-UHFFFAOYSA-N 1 1 357.483 3.072 20 30 FGEDMO N#Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000595603597 507586608 /nfs/dbraw/zinc/58/66/08/507586608.db2.gz ZFBBQWIZXDRLHO-MRXNPFEDSA-N 1 1 360.889 3.133 20 30 FGEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000611259416 507588476 /nfs/dbraw/zinc/58/84/76/507588476.db2.gz XSNOPJKVQFAWDH-GJZGRUSLSA-N 1 1 374.554 3.242 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)CN1C ZINC000611259416 507588480 /nfs/dbraw/zinc/58/84/80/507588480.db2.gz XSNOPJKVQFAWDH-GJZGRUSLSA-N 1 1 374.554 3.242 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C)CN1C ZINC000611259416 507588482 /nfs/dbraw/zinc/58/84/82/507588482.db2.gz XSNOPJKVQFAWDH-GJZGRUSLSA-N 1 1 374.554 3.242 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000595634467 507605519 /nfs/dbraw/zinc/60/55/19/507605519.db2.gz APFSWNAKCLTVCE-WIYYLYMNSA-N 1 1 357.498 3.111 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000595634467 507605527 /nfs/dbraw/zinc/60/55/27/507605527.db2.gz APFSWNAKCLTVCE-WIYYLYMNSA-N 1 1 357.498 3.111 20 30 FGEDMO CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1cc(C#N)ccn1 ZINC000598891733 507667075 /nfs/dbraw/zinc/66/70/75/507667075.db2.gz CNXXDNUBVZJYFA-UHFFFAOYSA-N 1 1 362.477 3.468 20 30 FGEDMO C=CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)C(C)(C)C ZINC000595763607 507672815 /nfs/dbraw/zinc/67/28/15/507672815.db2.gz RMEOFYRBNMQDDW-UHFFFAOYSA-N 1 1 360.502 3.238 20 30 FGEDMO C[C@H](O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000595767224 507676105 /nfs/dbraw/zinc/67/61/05/507676105.db2.gz ANQCSUORTZGLGH-XJKSGUPXSA-N 1 1 361.511 3.062 20 30 FGEDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000586801832 507676435 /nfs/dbraw/zinc/67/64/35/507676435.db2.gz HXZCXMWNJDBWJM-IBGZPJMESA-N 1 1 351.425 3.278 20 30 FGEDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000586801832 507676438 /nfs/dbraw/zinc/67/64/38/507676438.db2.gz HXZCXMWNJDBWJM-IBGZPJMESA-N 1 1 351.425 3.278 20 30 FGEDMO C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C[C@H]1C(=O)OC(C)(C)C ZINC000592517026 507690575 /nfs/dbraw/zinc/69/05/75/507690575.db2.gz PBTZECCUQQLGTD-WMLDXEAASA-N 1 1 354.454 3.006 20 30 FGEDMO C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@H]1C(=O)OC(C)(C)C ZINC000592517026 507690579 /nfs/dbraw/zinc/69/05/79/507690579.db2.gz PBTZECCUQQLGTD-WMLDXEAASA-N 1 1 354.454 3.006 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2ccon2)CC1 ZINC000595827734 507703317 /nfs/dbraw/zinc/70/33/17/507703317.db2.gz GRQMXLCFWUYOST-NGEICVOHSA-N 1 1 358.486 3.173 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595838166 507708769 /nfs/dbraw/zinc/70/87/69/507708769.db2.gz SREDXEZQJOQEBO-QGZVFWFLSA-N 1 1 363.465 3.195 20 30 FGEDMO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595838166 507708773 /nfs/dbraw/zinc/70/87/73/507708773.db2.gz SREDXEZQJOQEBO-QGZVFWFLSA-N 1 1 363.465 3.195 20 30 FGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)n1 ZINC000602456322 507716096 /nfs/dbraw/zinc/71/60/96/507716096.db2.gz XNRIWPRZPLVTLA-OAHLLOKOSA-N 1 1 367.428 3.126 20 30 FGEDMO CC[N@@H+](CCOc1ccccc1OC)CCC(=O)Nc1ccccc1C#N ZINC000595885475 507729381 /nfs/dbraw/zinc/72/93/81/507729381.db2.gz KATSQXVOHREHJA-UHFFFAOYSA-N 1 1 367.449 3.296 20 30 FGEDMO CN(C)c1ccccc1C[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551222 507733253 /nfs/dbraw/zinc/73/32/53/507733253.db2.gz OLRPEILYRPMKEM-OAQYLSRUSA-N 1 1 352.457 3.274 20 30 FGEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@](C)(C(F)F)O1 ZINC000595914332 507740427 /nfs/dbraw/zinc/74/04/27/507740427.db2.gz GWRBGFMMGQRZRX-GTNSWQLSSA-N 1 1 371.815 3.285 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@](C)(C(F)F)O1 ZINC000595914332 507740432 /nfs/dbraw/zinc/74/04/32/507740432.db2.gz GWRBGFMMGQRZRX-GTNSWQLSSA-N 1 1 371.815 3.285 20 30 FGEDMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000826183088 607637725 /nfs/dbraw/zinc/63/77/25/607637725.db2.gz CWTAUQTVNANEEH-RBUKOAKNSA-N 1 1 374.448 3.147 20 30 FGEDMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000826183088 607637727 /nfs/dbraw/zinc/63/77/27/607637727.db2.gz CWTAUQTVNANEEH-RBUKOAKNSA-N 1 1 374.448 3.147 20 30 FGEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823894556 608384026 /nfs/dbraw/zinc/38/40/26/608384026.db2.gz SWZVIOJYRUTAAC-QGZVFWFLSA-N 1 1 354.502 3.119 20 30 FGEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC)cc1OC ZINC000823914771 608631927 /nfs/dbraw/zinc/63/19/27/608631927.db2.gz NAXXZBWRHCMTTJ-UHFFFAOYSA-N 1 1 365.437 3.072 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(OC)cc1OC ZINC000823914771 608631928 /nfs/dbraw/zinc/63/19/28/608631928.db2.gz NAXXZBWRHCMTTJ-UHFFFAOYSA-N 1 1 365.437 3.072 20 30 FGEDMO N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000073871555 695974463 /nfs/dbraw/zinc/97/44/63/695974463.db2.gz FDVFKNJEABZHOM-IBGZPJMESA-N 1 1 359.832 3.206 20 30 FGEDMO C=C(Br)C[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000080199256 700311894 /nfs/dbraw/zinc/31/18/94/700311894.db2.gz ZAMYFSBYNZSUHI-UHFFFAOYSA-N 1 1 351.038 3.162 20 30 FGEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000113960992 700575924 /nfs/dbraw/zinc/57/59/24/700575924.db2.gz APHYJNFFZOEAPV-CQSZACIVSA-N 1 1 352.360 3.416 20 30 FGEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128693380 700778522 /nfs/dbraw/zinc/77/85/22/700778522.db2.gz ZHLPFAMNEFMHMQ-UHFFFAOYSA-N 1 1 350.394 3.324 20 30 FGEDMO C=C(Br)CNC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159713200 705231480 /nfs/dbraw/zinc/23/14/80/705231480.db2.gz VAHSKZUQHXBNKE-INIZCTEOSA-N 1 1 366.303 3.201 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000374853782 713948093 /nfs/dbraw/zinc/94/80/93/713948093.db2.gz XKTYRNPXRHTLCU-HNNXBMFYSA-N 1 1 354.475 3.124 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000374853782 713948096 /nfs/dbraw/zinc/94/80/96/713948096.db2.gz XKTYRNPXRHTLCU-HNNXBMFYSA-N 1 1 354.475 3.124 20 30 FGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000374856974 713948550 /nfs/dbraw/zinc/94/85/50/713948550.db2.gz QKWULVZWQKGSJL-HNNXBMFYSA-N 1 1 354.475 3.124 20 30 FGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000374856974 713948552 /nfs/dbraw/zinc/94/85/52/713948552.db2.gz QKWULVZWQKGSJL-HNNXBMFYSA-N 1 1 354.475 3.124 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000523439930 714234996 /nfs/dbraw/zinc/23/49/96/714234996.db2.gz UCPPGPPLXUBNTF-QGZVFWFLSA-N 1 1 363.571 3.241 20 30 FGEDMO Cc1cc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)ncc1C#N ZINC000575012952 714455435 /nfs/dbraw/zinc/45/54/35/714455435.db2.gz YXIDTJNXQOZWKO-KDOFPFPSSA-N 1 1 354.479 3.136 20 30 FGEDMO C=CCC1(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)CCOCC1 ZINC000618251756 714728654 /nfs/dbraw/zinc/72/86/54/714728654.db2.gz RXRSMIBFUJLSES-ZIAGYGMSSA-N 1 1 362.436 3.137 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H]([NH2+]CCSCc2ccccc2)C1 ZINC000779384748 724410815 /nfs/dbraw/zinc/41/08/15/724410815.db2.gz NIFRTQWIQMODSO-SJORKVTESA-N 1 1 361.511 3.268 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)C1=O ZINC000799117307 723988746 /nfs/dbraw/zinc/98/87/46/723988746.db2.gz VOVGZWYKTWWYQE-IRXDYDNUSA-N 1 1 363.299 3.243 20 30 FGEDMO CC#CC[C@@H](CO)Nc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000645403230 718208004 /nfs/dbraw/zinc/20/80/04/718208004.db2.gz KCEIVMZRRPLWSS-HNNXBMFYSA-N 1 1 358.511 3.090 20 30 FGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)nn1 ZINC000653598058 719063566 /nfs/dbraw/zinc/06/35/66/719063566.db2.gz KTIQAOVTUHQISC-GFCCVEGCSA-N 1 1 365.275 3.476 20 30 FGEDMO N#Cc1c(Cl)ncnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626776 719065347 /nfs/dbraw/zinc/06/53/47/719065347.db2.gz PHGLVNQLQVGZOS-RDJZCZTQSA-N 1 1 353.857 3.102 20 30 FGEDMO C=CCOc1ccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000657750210 719703826 /nfs/dbraw/zinc/70/38/26/719703826.db2.gz CYUWAJYEKWWELS-QGZVFWFLSA-N 1 1 350.890 3.248 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CCCC2=O)CC1 ZINC000661956622 720349574 /nfs/dbraw/zinc/34/95/74/720349574.db2.gz JTTPKTNVVODRJB-ZDUSSCGKSA-N 1 1 359.857 3.374 20 30 FGEDMO N#CC1(c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2)CCC1 ZINC001164722928 720382022 /nfs/dbraw/zinc/38/20/22/720382022.db2.gz DTDDOWKMAKCWMU-VQTJNVASSA-N 1 1 359.477 3.275 20 30 FGEDMO C#CC[NH+]1CCC(C(=O)Nc2sc3c(c2C(=O)C2CC2)CCC3)CC1 ZINC000782915366 724708511 /nfs/dbraw/zinc/70/85/11/724708511.db2.gz ZIXGGNHGXYBIHZ-UHFFFAOYSA-N 1 1 356.491 3.113 20 30 FGEDMO C=CCN(C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H](C)COC ZINC000665899089 720839748 /nfs/dbraw/zinc/83/97/48/720839748.db2.gz CKKVTIGXULYAHO-INIZCTEOSA-N 1 1 363.527 3.290 20 30 FGEDMO C=CCN(CC(F)(F)F)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000667547103 721126461 /nfs/dbraw/zinc/12/64/61/721126461.db2.gz APZWFSOTEPSFCL-UHFFFAOYSA-N 1 1 351.372 3.346 20 30 FGEDMO C=CCN(CC(F)(F)F)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000667547103 721126463 /nfs/dbraw/zinc/12/64/63/721126463.db2.gz APZWFSOTEPSFCL-UHFFFAOYSA-N 1 1 351.372 3.346 20 30 FGEDMO N#Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164899289 721507571 /nfs/dbraw/zinc/50/75/71/721507571.db2.gz KTDBLMZXNXDJGP-WBVHZDCISA-N 1 1 372.831 3.088 20 30 FGEDMO C=CC[NH+]1CCN(c2nc3ccccc3nc2N2CCCC[C@H]2C)CC1 ZINC001165032560 721870637 /nfs/dbraw/zinc/87/06/37/721870637.db2.gz YOUDLFGJNDEFMP-QGZVFWFLSA-N 1 1 351.498 3.317 20 30 FGEDMO N#Cc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1Cl ZINC001164953307 722013301 /nfs/dbraw/zinc/01/33/01/722013301.db2.gz DWBVIKGABUDQPU-UHFFFAOYSA-N 1 1 367.884 3.494 20 30 FGEDMO C=CCOC[C@H]1CCC[C@]12CN(c1ccc(C[N@H+](C)C3CC3)cn1)CCO2 ZINC001164981014 722169501 /nfs/dbraw/zinc/16/95/01/722169501.db2.gz ZWEUQWLILLEGJJ-KNQAVFIVSA-N 1 1 371.525 3.254 20 30 FGEDMO N#Cc1c(F)ccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995133 722203000 /nfs/dbraw/zinc/20/30/00/722203000.db2.gz LGTYBQLOWDTLAN-FQEVSTJZSA-N 1 1 354.404 3.476 20 30 FGEDMO C=CC1CC[NH+](CN2C(=O)N[C@](C)(c3ccc(F)cc3Cl)C2=O)CC1 ZINC000732180909 722481944 /nfs/dbraw/zinc/48/19/44/722481944.db2.gz HLRCQQKXAVKPJN-GOSISDBHSA-N 1 1 365.836 3.102 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](OC)C(F)(F)F ZINC000733329217 722495799 /nfs/dbraw/zinc/49/57/99/722495799.db2.gz PUSSLLVEGJDRAU-ZDUSSCGKSA-N 1 1 366.177 3.128 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000741792349 722549158 /nfs/dbraw/zinc/54/91/58/722549158.db2.gz OJVVKXKNZFWEQJ-IBGZPJMESA-N 1 1 350.478 3.242 20 30 FGEDMO COc1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1C#N ZINC000747446867 722647380 /nfs/dbraw/zinc/64/73/80/722647380.db2.gz KNURKOAXKCVFOD-SFHVURJKSA-N 1 1 357.841 3.139 20 30 FGEDMO N#Cc1cccnc1NCCNc1cc[nH+]c2ccc(Br)cc12 ZINC000749274548 722722927 /nfs/dbraw/zinc/72/29/27/722722927.db2.gz QUILRCPIYSWGOJ-UHFFFAOYSA-N 1 1 368.238 3.210 20 30 FGEDMO C[NH+]1CCN(N=Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000752713507 722868119 /nfs/dbraw/zinc/86/81/19/722868119.db2.gz PMVQERWCBAIRQZ-UHFFFAOYSA-N 1 1 365.300 3.154 20 30 FGEDMO Cc1ccc(-c2nc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)cs2)o1 ZINC000753829205 722915042 /nfs/dbraw/zinc/91/50/42/722915042.db2.gz HIWPSVXPFBDFDH-UHFFFAOYSA-N 1 1 355.419 3.484 20 30 FGEDMO C#CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000753957636 722920060 /nfs/dbraw/zinc/92/00/60/722920060.db2.gz UDXJHVGQYBPGIW-UHFFFAOYSA-N 1 1 353.853 3.234 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1cc(C#N)ccc1Br ZINC000754882248 722947483 /nfs/dbraw/zinc/94/74/83/722947483.db2.gz IQIXIGCACHICAT-GFCCVEGCSA-N 1 1 365.275 3.194 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000756544619 722966608 /nfs/dbraw/zinc/96/66/08/722966608.db2.gz VIPBAZIPMLIWKK-HNNXBMFYSA-N 1 1 362.857 3.189 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000756544619 722966609 /nfs/dbraw/zinc/96/66/09/722966609.db2.gz VIPBAZIPMLIWKK-HNNXBMFYSA-N 1 1 362.857 3.189 20 30 FGEDMO C#CC[C@H](NC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000757011675 722973263 /nfs/dbraw/zinc/97/32/63/722973263.db2.gz SLGSHYGNPSBERN-SFHVURJKSA-N 1 1 353.491 3.170 20 30 FGEDMO C#CC[C@H](NC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000757011675 722973264 /nfs/dbraw/zinc/97/32/64/722973264.db2.gz SLGSHYGNPSBERN-SFHVURJKSA-N 1 1 353.491 3.170 20 30 FGEDMO C#CC[N@@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)C1CCCCC1 ZINC000757989311 722982539 /nfs/dbraw/zinc/98/25/39/722982539.db2.gz OOSNMUREUWCCMQ-UHFFFAOYSA-N 1 1 358.467 3.313 20 30 FGEDMO C#CC[N@H+](CC(=O)Nc1nnc(-c2sccc2C)o1)C1CCCCC1 ZINC000757989311 722982540 /nfs/dbraw/zinc/98/25/40/722982540.db2.gz OOSNMUREUWCCMQ-UHFFFAOYSA-N 1 1 358.467 3.313 20 30 FGEDMO CCOCCC[N@H+]1CCC(N=Nc2cncc(Br)c2)[C@H](C)C1 ZINC000758129916 722984823 /nfs/dbraw/zinc/98/48/23/722984823.db2.gz MIGRBEKYNLMZCM-CYBMUJFWSA-N 1 1 369.307 3.380 20 30 FGEDMO COc1cccc(O)c1/C=N/C[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000760977103 723109221 /nfs/dbraw/zinc/10/92/21/723109221.db2.gz CGNPYXQQZFATED-RSZPVBOMSA-N 1 1 356.491 3.437 20 30 FGEDMO COC(=O)c1ccc(Br)c(N=NC2CCC[N@@H+](C)CC2)c1 ZINC000793117289 723401527 /nfs/dbraw/zinc/40/15/27/723401527.db2.gz KTVMVVWMFISNFG-UHFFFAOYSA-N 1 1 354.248 3.119 20 30 FGEDMO CSCCO[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000794572781 723532367 /nfs/dbraw/zinc/53/23/67/723532367.db2.gz HVAJRUUKCYQRPX-UHFFFAOYSA-N 1 1 363.508 3.360 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCN(CC(F)F)[C@H](CC)C2)c(O)c(OC)c1 ZINC000765718588 723534836 /nfs/dbraw/zinc/53/48/36/723534836.db2.gz XRRRBZMTHHJCNW-MRXNPFEDSA-N 1 1 354.441 3.291 20 30 FGEDMO C#Cc1cncc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1 ZINC000798161181 723908949 /nfs/dbraw/zinc/90/89/49/723908949.db2.gz LKONKUSNTTZDDE-LJQANCHMSA-N 1 1 353.853 3.283 20 30 FGEDMO N#Cc1cccc(C2([NH2+]CCS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000775432033 723990830 /nfs/dbraw/zinc/99/08/30/723990830.db2.gz WYGYBIOUCSJQTG-UHFFFAOYSA-N 1 1 360.866 3.264 20 30 FGEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1=S ZINC000799154173 723992193 /nfs/dbraw/zinc/99/21/93/723992193.db2.gz CEBRRGFUNWPTQA-XBVQOTNRSA-N 1 1 350.532 3.128 20 30 FGEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1=S ZINC000799154173 723992196 /nfs/dbraw/zinc/99/21/96/723992196.db2.gz CEBRRGFUNWPTQA-XBVQOTNRSA-N 1 1 350.532 3.128 20 30 FGEDMO CC(C)Sc1cccc(Cl)c1C=NNCCC[NH+]1CCOCC1 ZINC000799490873 724033987 /nfs/dbraw/zinc/03/39/87/724033987.db2.gz XRRFGCBVXRUARE-UHFFFAOYSA-N 1 1 355.935 3.486 20 30 FGEDMO C#CC[N@H+](CCCn1ccnc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000775973459 724091967 /nfs/dbraw/zinc/09/19/67/724091967.db2.gz SFEMTNLRDFANEU-KRWDZBQOSA-N 1 1 374.282 3.495 20 30 FGEDMO Brc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c2ncccc12 ZINC000777886922 724268026 /nfs/dbraw/zinc/26/80/26/724268026.db2.gz ASZFCJLFKQRHMQ-HUUCEWRRSA-N 1 1 372.270 3.191 20 30 FGEDMO C#C[C@H](C)N(C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000812184643 725390256 /nfs/dbraw/zinc/39/02/56/725390256.db2.gz RRVQMHAPIDGLNO-JDFRZJQESA-N 1 1 351.853 3.135 20 30 FGEDMO COc1cc(C#N)cc(Cl)c1OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000812832744 726816816 /nfs/dbraw/zinc/81/68/16/726816816.db2.gz CHCQKAHFTZCZHJ-QGZVFWFLSA-N 1 1 354.809 3.338 20 30 FGEDMO C#CC[N@@H+](C)CCCNc1ccc(C(=O)Nc2cccc(Cl)c2)cn1 ZINC000814928861 727012000 /nfs/dbraw/zinc/01/20/00/727012000.db2.gz AJBIHWYUDIFGIQ-UHFFFAOYSA-N 1 1 356.857 3.354 20 30 FGEDMO C[C@@H]([NH2+]CCOCCC#N)c1nc(-c2ccc(Br)cc2)no1 ZINC000815090789 727036409 /nfs/dbraw/zinc/03/64/09/727036409.db2.gz NPCWSNLUNWMJRV-LLVKDONJSA-N 1 1 365.231 3.080 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815447626 727074568 /nfs/dbraw/zinc/07/45/68/727074568.db2.gz VQQQUHCUHWBUKI-SJLPKXTDSA-N 1 1 350.503 3.140 20 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C=C(Cl)CSc1nc(C)c(CC(=O)NC2C[NH+](C(C)C)C2)s1 ZINC000819501342 727379856 /nfs/dbraw/zinc/37/98/56/727379856.db2.gz YHAIMUXSGZCSLZ-UHFFFAOYSA-N 1 1 359.948 3.047 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000824608704 729350372 /nfs/dbraw/zinc/35/03/72/729350372.db2.gz NAVGSQXKJSEQTJ-HNNXBMFYSA-N 1 1 362.901 3.466 20 30 FGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000829798663 729513194 /nfs/dbraw/zinc/51/31/94/729513194.db2.gz BYVIHRGUWPPDCP-JKSUJKDBSA-N 1 1 355.507 3.379 20 30 FGEDMO C#CC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)CC1 ZINC000830301585 729549088 /nfs/dbraw/zinc/54/90/88/729549088.db2.gz PASHKWAVOMPVGT-HXUWFJFHSA-N 1 1 356.466 3.438 20 30 FGEDMO O=C(N1C[C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C[C@@H]2C1)C(F)(F)F ZINC000831571768 729652337 /nfs/dbraw/zinc/65/23/37/729652337.db2.gz NSSWVIWSDCGDER-HUUCEWRRSA-N 1 1 370.802 3.034 20 30 FGEDMO O=C(N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C[C@@H]2C1)C(F)(F)F ZINC000831571768 729652339 /nfs/dbraw/zinc/65/23/39/729652339.db2.gz NSSWVIWSDCGDER-HUUCEWRRSA-N 1 1 370.802 3.034 20 30 FGEDMO Cc1cc(Br)c(C=NNCCC[NH+]2CCOCC2)cc1Cl ZINC000834977711 729848710 /nfs/dbraw/zinc/84/87/10/729848710.db2.gz XISXLFNIEGFTSQ-UHFFFAOYSA-N 1 1 374.710 3.057 20 30 FGEDMO O=C(C#CC1CC1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000837348282 730020111 /nfs/dbraw/zinc/02/01/11/730020111.db2.gz MBGYDTRFNNJSON-IBGZPJMESA-N 1 1 350.487 3.377 20 30 FGEDMO O=C(C#CC1CC1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000837348282 730020113 /nfs/dbraw/zinc/02/01/13/730020113.db2.gz MBGYDTRFNNJSON-IBGZPJMESA-N 1 1 350.487 3.377 20 30 FGEDMO CCCC[N@@H+](Cn1ccc(C)c(C#N)c1=O)[C@H]1CCc2ncsc2C1 ZINC000842646198 730524428 /nfs/dbraw/zinc/52/44/28/730524428.db2.gz PPKXYSJHMSPRSC-HNNXBMFYSA-N 1 1 356.495 3.102 20 30 FGEDMO C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368882 730708324 /nfs/dbraw/zinc/70/83/24/730708324.db2.gz TWRVKTNVUOMCBI-DOMZBBRYSA-N 1 1 354.435 3.396 20 30 FGEDMO C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368882 730708328 /nfs/dbraw/zinc/70/83/28/730708328.db2.gz TWRVKTNVUOMCBI-DOMZBBRYSA-N 1 1 354.435 3.396 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369990 730708589 /nfs/dbraw/zinc/70/85/89/730708589.db2.gz PEPYSJMKSYXOLH-GOSISDBHSA-N 1 1 357.841 3.206 20 30 FGEDMO COc1ccc2nc(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)sc2c1 ZINC000844371640 730708867 /nfs/dbraw/zinc/70/88/67/730708867.db2.gz PKOXAXFZYVKBKN-QGZVFWFLSA-N 1 1 353.447 3.342 20 30 FGEDMO COc1ccc2nc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)sc2c1 ZINC000844371640 730708869 /nfs/dbraw/zinc/70/88/69/730708869.db2.gz PKOXAXFZYVKBKN-QGZVFWFLSA-N 1 1 353.447 3.342 20 30 FGEDMO CCCCCCCCCS(=O)(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000845919719 730909705 /nfs/dbraw/zinc/90/97/05/730909705.db2.gz NXLZMSFUKIWDHF-UHFFFAOYSA-N 1 1 370.563 3.059 20 30 FGEDMO C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006462 730917806 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C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000042657407 494235014 /nfs/dbraw/zinc/23/50/14/494235014.db2.gz INUWQELBKOKTIX-HRAATJIYSA-N 1 1 363.461 3.331 20 30 FGEDMO C[N@H+](CC(=O)Nc1ccccc1SCC#N)[C@H](CCO)c1ccccc1 ZINC000072773073 494249224 /nfs/dbraw/zinc/24/92/24/494249224.db2.gz HDNLYCFWGDBKND-GOSISDBHSA-N 1 1 369.490 3.296 20 30 FGEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@H](CCO)c1ccccc1 ZINC000072773073 494249229 /nfs/dbraw/zinc/24/92/29/494249229.db2.gz HDNLYCFWGDBKND-GOSISDBHSA-N 1 1 369.490 3.296 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065956650 494260793 /nfs/dbraw/zinc/26/07/93/494260793.db2.gz KQWGNZQOMJORGX-GOSISDBHSA-N 1 1 368.525 3.318 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000072898186 494278712 /nfs/dbraw/zinc/27/87/12/494278712.db2.gz KCBYVGSKLKFKRZ-ICSRJNTNSA-N 1 1 358.445 3.237 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000072898186 494278716 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C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000574216126 505722592 /nfs/dbraw/zinc/72/25/92/505722592.db2.gz NCGSUXLQAFOEAP-WOUAJJJCSA-N 1 1 358.482 3.216 20 30 FGEDMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000090665268 494491692 /nfs/dbraw/zinc/49/16/92/494491692.db2.gz LGMRQBSEJLYDNK-BEFAXECRSA-N 1 1 357.479 3.290 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000046092020 494494786 /nfs/dbraw/zinc/49/47/86/494494786.db2.gz XOBUPRWCUPKWGM-SFHVURJKSA-N 1 1 355.482 3.051 20 30 FGEDMO Cc1nn(-c2ccccc2)c(CN(C)CC[C@H]2CCCC[N@H+]2C)c1C#N ZINC000091070674 494523185 /nfs/dbraw/zinc/52/31/85/494523185.db2.gz XYZYTFBLFHEJAA-GOSISDBHSA-N 1 1 351.498 3.359 20 30 FGEDMO N#Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000067570242 494570369 /nfs/dbraw/zinc/57/03/69/494570369.db2.gz FNMYACXSYGNTIV-NRFANRHFSA-N 1 1 362.477 3.270 20 30 FGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000023674166 494574845 /nfs/dbraw/zinc/57/48/45/494574845.db2.gz FFEIKMSHXSFUTM-WMLDXEAASA-N 1 1 360.404 3.464 20 30 FGEDMO CN(Cc1cccc(C#N)c1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000046889150 494578669 /nfs/dbraw/zinc/57/86/69/494578669.db2.gz GKPGYAQJULJGMD-UHFFFAOYSA-N 1 1 350.466 3.222 20 30 FGEDMO CN(CC[N@H+](C)CC(=O)Nc1ccccc1SCC#N)c1ccccc1 ZINC000107683169 494583933 /nfs/dbraw/zinc/58/39/33/494583933.db2.gz ORNNOIYRTXJEFW-UHFFFAOYSA-N 1 1 368.506 3.309 20 30 FGEDMO CN(CC[N@@H+](C)CC(=O)Nc1ccccc1SCC#N)c1ccccc1 ZINC000107683169 494583942 /nfs/dbraw/zinc/58/39/42/494583942.db2.gz ORNNOIYRTXJEFW-UHFFFAOYSA-N 1 1 368.506 3.309 20 30 FGEDMO CCC[N@@H+](CC(=O)N(C)C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092382430 494611044 /nfs/dbraw/zinc/61/10/44/494611044.db2.gz GQNIXYDSYZXXQN-UHFFFAOYSA-N 1 1 365.477 3.437 20 30 FGEDMO C=C(C)C[NH+]1CCC(NCc2cc(Br)c(O)c(OC)c2)CC1 ZINC000080199850 494635933 /nfs/dbraw/zinc/63/59/33/494635933.db2.gz JMAKIZODJNQSII-UHFFFAOYSA-N 1 1 369.303 3.293 20 30 FGEDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000108373789 494691674 /nfs/dbraw/zinc/69/16/74/494691674.db2.gz DQEHMVIDGOLFLR-BFYDXBDKSA-N 1 1 361.511 3.255 20 30 FGEDMO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000108373789 494691679 /nfs/dbraw/zinc/69/16/79/494691679.db2.gz DQEHMVIDGOLFLR-BFYDXBDKSA-N 1 1 361.511 3.255 20 30 FGEDMO CC(C)[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccc(C#N)cc1 ZINC000116121170 494707443 /nfs/dbraw/zinc/70/74/43/494707443.db2.gz XOTBBZIFGYJWJP-UHFFFAOYSA-N 1 1 360.461 3.405 20 30 FGEDMO CC(C)[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)Cc1ccc(C#N)cc1 ZINC000116121170 494707453 /nfs/dbraw/zinc/70/74/53/494707453.db2.gz XOTBBZIFGYJWJP-UHFFFAOYSA-N 1 1 360.461 3.405 20 30 FGEDMO CCCn1nc(C)c(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c1C ZINC000091918039 494720516 /nfs/dbraw/zinc/72/05/16/494720516.db2.gz GNZOWTDZVPDFRV-UHFFFAOYSA-N 1 1 355.461 3.243 20 30 FGEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000121391192 494734875 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C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Nc3ccc(C#N)cc3)c2)CCO1 ZINC000109004567 494819936 /nfs/dbraw/zinc/81/99/36/494819936.db2.gz RBZMVTOVLYQAJQ-MRXNPFEDSA-N 1 1 364.449 3.101 20 30 FGEDMO N#Cc1cccnc1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000026775745 494837686 /nfs/dbraw/zinc/83/76/86/494837686.db2.gz SISJGVJZZZMDQH-UHFFFAOYSA-N 1 1 362.355 3.174 20 30 FGEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000093201386 494841969 /nfs/dbraw/zinc/84/19/69/494841969.db2.gz CPRVJVLPUDITLW-OAHLLOKOSA-N 1 1 372.498 3.000 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000116877885 494864753 /nfs/dbraw/zinc/86/47/53/494864753.db2.gz JOCYGGQTDQQDIR-LJQANCHMSA-N 1 1 352.434 3.103 20 30 FGEDMO C[C@@H](CCO)[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000093304033 494865215 /nfs/dbraw/zinc/86/52/15/494865215.db2.gz DVHFDNBBHYVEHW-HNNXBMFYSA-N 1 1 357.479 3.221 20 30 FGEDMO Cc1ccc(OC2CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 ZINC000116882935 494866672 /nfs/dbraw/zinc/86/66/72/494866672.db2.gz FVHFRMMUMMRVAY-DYESRHJHSA-N 1 1 357.498 3.281 20 30 FGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CCC(=O)Nc1ccc(F)cc1 ZINC000577538676 505747492 /nfs/dbraw/zinc/74/74/92/505747492.db2.gz NYEJFRGZENRUEP-UHFFFAOYSA-N 1 1 355.413 3.175 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCOc2ccccc2F)c(C#N)c1C ZINC000027698634 494882107 /nfs/dbraw/zinc/88/21/07/494882107.db2.gz QILFFSXHYUIXSV-ZDUSSCGKSA-N 1 1 359.401 3.245 20 30 FGEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCOc2ccccc2F)c(C#N)c1C ZINC000027698634 494882109 /nfs/dbraw/zinc/88/21/09/494882109.db2.gz QILFFSXHYUIXSV-ZDUSSCGKSA-N 1 1 359.401 3.245 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1Cl ZINC000093663898 494909944 /nfs/dbraw/zinc/90/99/44/494909944.db2.gz MAAUDUGHKHDEPF-QGZVFWFLSA-N 1 1 350.890 3.059 20 30 FGEDMO C=CCOc1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000093663898 494909947 /nfs/dbraw/zinc/90/99/47/494909947.db2.gz MAAUDUGHKHDEPF-QGZVFWFLSA-N 1 1 350.890 3.059 20 30 FGEDMO C=CCOc1ccc(C[NH+]2CCC(N3CCCNC3=O)CC2)cc1Cl ZINC000093668799 494911483 /nfs/dbraw/zinc/91/14/83/494911483.db2.gz SDWCRAODPHLKKE-UHFFFAOYSA-N 1 1 363.889 3.285 20 30 FGEDMO C=CCc1cc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc(OC)c1O ZINC000093766372 494918959 /nfs/dbraw/zinc/91/89/59/494918959.db2.gz PUWGYRVNFJTPAJ-QGZVFWFLSA-N 1 1 359.388 3.265 20 30 FGEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000109812503 494921242 /nfs/dbraw/zinc/92/12/42/494921242.db2.gz WSWPTCVIURGCDV-UHFFFAOYSA-N 1 1 372.513 3.114 20 30 FGEDMO CCc1nsc(N2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1 ZINC000093871518 494929988 /nfs/dbraw/zinc/92/99/88/494929988.db2.gz ZOAZYLMVWQUKCJ-HNNXBMFYSA-N 1 1 371.510 3.104 20 30 FGEDMO C=CCCOCCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000122454119 494978156 /nfs/dbraw/zinc/97/81/56/494978156.db2.gz CMGGPKZRJRXDGU-SFHVURJKSA-N 1 1 359.514 3.310 20 30 FGEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2nc3n(c2C#N)CCS3)cc1)C(C)C ZINC000118225362 494984242 /nfs/dbraw/zinc/98/42/42/494984242.db2.gz OGOHFXBCCQCVQN-UHFFFAOYSA-N 1 1 369.494 3.343 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000110871571 495015651 /nfs/dbraw/zinc/01/56/51/495015651.db2.gz LNTQOQMNFVKPJG-QGZVFWFLSA-N 1 1 365.477 3.482 20 30 FGEDMO Cc1cccn2c(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cnc12 ZINC000122825280 495036954 /nfs/dbraw/zinc/03/69/54/495036954.db2.gz JFZAIUDDWBOAOS-UHFFFAOYSA-N 1 1 359.477 3.222 20 30 FGEDMO Cc1cccn2c(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)cnc12 ZINC000122825280 495036956 /nfs/dbraw/zinc/03/69/56/495036956.db2.gz JFZAIUDDWBOAOS-UHFFFAOYSA-N 1 1 359.477 3.222 20 30 FGEDMO Cc1cccn2c(C[N@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)cnc12 ZINC000122825280 495036958 /nfs/dbraw/zinc/03/69/58/495036958.db2.gz JFZAIUDDWBOAOS-UHFFFAOYSA-N 1 1 359.477 3.222 20 30 FGEDMO CCN1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000118834623 495044388 /nfs/dbraw/zinc/04/43/88/495044388.db2.gz NFNZLMZNCVBCPU-HSZRJFAPSA-N 1 1 374.532 3.437 20 30 FGEDMO CCN1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000118834623 495044389 /nfs/dbraw/zinc/04/43/89/495044389.db2.gz NFNZLMZNCVBCPU-HSZRJFAPSA-N 1 1 374.532 3.437 20 30 FGEDMO Cc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc(C)c1OC(F)F ZINC000122920947 495052825 /nfs/dbraw/zinc/05/28/25/495052825.db2.gz HSKFOYDXSGNTII-UHFFFAOYSA-N 1 1 372.419 3.494 20 30 FGEDMO N#Cc1cccnc1N1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000122947535 495057261 /nfs/dbraw/zinc/05/72/61/495057261.db2.gz VZVOUSFYVJBVSY-UHFFFAOYSA-N 1 1 355.445 3.337 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000111661256 495093094 /nfs/dbraw/zinc/09/30/94/495093094.db2.gz KLHRKJYVYCVOTB-UHFFFAOYSA-N 1 1 357.498 3.102 20 30 FGEDMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)cc1OCCCC#N ZINC000123615702 495160793 /nfs/dbraw/zinc/16/07/93/495160793.db2.gz BQBKMEYEWLNVBU-UHFFFAOYSA-N 1 1 373.497 3.068 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)cc1OCCCC#N ZINC000123615702 495160797 /nfs/dbraw/zinc/16/07/97/495160797.db2.gz BQBKMEYEWLNVBU-UHFFFAOYSA-N 1 1 373.497 3.068 20 30 FGEDMO C[C@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)N(C)CCC#N ZINC000112529651 495200949 /nfs/dbraw/zinc/20/09/49/495200949.db2.gz IASDKRWVTKEUID-QRVBRYPASA-N 1 1 370.541 3.015 20 30 FGEDMO CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C)CS(C)(=O)=O ZINC000112612237 495212286 /nfs/dbraw/zinc/21/22/86/495212286.db2.gz RIGOFZUKEKDSPY-MRXNPFEDSA-N 1 1 356.491 3.480 20 30 FGEDMO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C)CS(C)(=O)=O ZINC000112612237 495212288 /nfs/dbraw/zinc/21/22/88/495212288.db2.gz RIGOFZUKEKDSPY-MRXNPFEDSA-N 1 1 356.491 3.480 20 30 FGEDMO C=CCNc1ncc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)s1 ZINC000129430267 495244511 /nfs/dbraw/zinc/24/45/11/495244511.db2.gz IRGQEHMHKNQGGC-MRXNPFEDSA-N 1 1 370.522 3.478 20 30 FGEDMO C[N@@H+](CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)[C@@H]1CCSC1 ZINC000119864994 495258103 /nfs/dbraw/zinc/25/81/03/495258103.db2.gz JPBNUKXWNRTQQE-RISCZKNCSA-N 1 1 358.294 3.112 20 30 FGEDMO C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CC1 ZINC000104716580 495300364 /nfs/dbraw/zinc/30/03/64/495300364.db2.gz LMEDOGZGCPBXFO-MRXNPFEDSA-N 1 1 367.493 3.191 20 30 FGEDMO C[C@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000104714872 495300557 /nfs/dbraw/zinc/30/05/57/495300557.db2.gz YYYKLSMTIKJANX-KRWDZBQOSA-N 1 1 363.461 3.279 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)COc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000129884877 495310303 /nfs/dbraw/zinc/31/03/03/495310303.db2.gz YDCWBRUULXKXHJ-OXQOHEQNSA-N 1 1 369.490 3.198 20 30 FGEDMO N#CCCCOc1cccc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000136570359 495388110 /nfs/dbraw/zinc/38/81/10/495388110.db2.gz WOPAGOFXFUFQTC-YADHBBJMSA-N 1 1 371.525 3.227 20 30 FGEDMO C=CCc1cc(C(=O)NCCCCn2cc[nH+]c2C)cc(OC)c1OC ZINC000130454893 495393923 /nfs/dbraw/zinc/39/39/23/495393923.db2.gz HHOUSBVILNJUTG-UHFFFAOYSA-N 1 1 357.454 3.147 20 30 FGEDMO COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000125296018 495422029 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20 30 FGEDMO COc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000120813849 495462801 /nfs/dbraw/zinc/46/28/01/495462801.db2.gz MDSOOANBHAICHC-UHFFFAOYSA-N 1 1 367.449 3.171 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C12CCC2 ZINC000120909929 495483216 /nfs/dbraw/zinc/48/32/16/495483216.db2.gz JZOUOUJFIYZLQL-IAGOWNOFSA-N 1 1 352.438 3.388 20 30 FGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C12CCC2 ZINC000120909929 495483218 /nfs/dbraw/zinc/48/32/18/495483218.db2.gz JZOUOUJFIYZLQL-IAGOWNOFSA-N 1 1 352.438 3.388 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106790338 495496147 /nfs/dbraw/zinc/49/61/47/495496147.db2.gz NLYPSLDJYZQEMM-YLJYHZDGSA-N 1 1 355.482 3.095 20 30 FGEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000115439618 495503836 /nfs/dbraw/zinc/50/38/36/495503836.db2.gz SCRVLBWUFHGRCM-KRWDZBQOSA-N 1 1 367.449 3.144 20 30 FGEDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 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CC[C@H](NC(=O)c1cc(C#N)cs1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177607903 496130789 /nfs/dbraw/zinc/13/07/89/496130789.db2.gz IKXOHZYDIKFWPV-ROUUACIJSA-N 1 1 369.490 3.029 20 30 FGEDMO CC[C@H](NC(=O)c1cc(C#N)cs1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177607903 496130794 /nfs/dbraw/zinc/13/07/94/496130794.db2.gz IKXOHZYDIKFWPV-ROUUACIJSA-N 1 1 369.490 3.029 20 30 FGEDMO CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000174868884 496141313 /nfs/dbraw/zinc/14/13/13/496141313.db2.gz FEKURMYSKKMXEH-SFHVURJKSA-N 1 1 371.525 3.490 20 30 FGEDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)[C@H](C)C1 ZINC000172113074 496171404 /nfs/dbraw/zinc/17/14/04/496171404.db2.gz RSDLIQMPRYGMEF-SJLPKXTDSA-N 1 1 358.486 3.125 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000177755834 496183621 /nfs/dbraw/zinc/18/36/21/496183621.db2.gz WEDKYJUFNLSZIP-DLBZAZTESA-N 1 1 372.538 3.189 20 30 FGEDMO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000174965166 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3.191 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152723427 496237196 /nfs/dbraw/zinc/23/71/96/496237196.db2.gz MZIZDMFCXQGSBV-CVEARBPZSA-N 1 1 374.554 3.209 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152723427 496237198 /nfs/dbraw/zinc/23/71/98/496237198.db2.gz MZIZDMFCXQGSBV-CVEARBPZSA-N 1 1 374.554 3.209 20 30 FGEDMO COC(=O)[C@H](C)C[N@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000181065005 496258624 /nfs/dbraw/zinc/25/86/24/496258624.db2.gz XLBAOIOHEQJRKY-LLVKDONJSA-N 1 1 351.244 3.094 20 30 FGEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000181065005 496258626 /nfs/dbraw/zinc/25/86/26/496258626.db2.gz XLBAOIOHEQJRKY-LLVKDONJSA-N 1 1 351.244 3.094 20 30 FGEDMO COc1cc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)c(SC)cc1OC ZINC000156500550 496262892 /nfs/dbraw/zinc/26/28/92/496262892.db2.gz XUGPNWQAOSDYNM-KRWDZBQOSA-N 1 1 372.490 3.463 20 30 FGEDMO C[C@H]1OCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1C ZINC000156554585 496277724 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CC(C)[N@@H+](CC(=O)Nc1nnc(-c2ccco2)o1)Cc1ccc(C#N)cc1 ZINC000152979759 496314638 /nfs/dbraw/zinc/31/46/38/496314638.db2.gz CDADQUYWVUFGAO-UHFFFAOYSA-N 1 1 365.393 3.050 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[N@H+](C3CC3)CC2)c1 ZINC000172541582 496334246 /nfs/dbraw/zinc/33/42/46/496334246.db2.gz MGXMZRDFTLWREW-IBGZPJMESA-N 1 1 368.525 3.109 20 30 FGEDMO N#Cc1cccc(NC(=O)CCN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000172544556 496335528 /nfs/dbraw/zinc/33/55/28/496335528.db2.gz IIHUVJHXXHQOBU-FQEVSTJZSA-N 1 1 368.525 3.475 20 30 FGEDMO N#CCSc1ccccc1NC(=O)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000172585589 496353780 /nfs/dbraw/zinc/35/37/80/496353780.db2.gz FSSVSDXNHMKWTM-UHFFFAOYSA-N 1 1 372.538 3.191 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2c1 ZINC000162534781 496369525 /nfs/dbraw/zinc/36/95/25/496369525.db2.gz WLAJFGZGDVKXLI-SFHVURJKSA-N 1 1 360.417 3.314 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)n2c1 ZINC000162534781 496369528 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CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCN(CC(F)(F)F)C2=O)c(O)c1 ZINC000157196181 496426692 /nfs/dbraw/zinc/42/66/92/496426692.db2.gz SGTMGSAQYBLCBP-URMYYVDKSA-N 1 1 371.403 3.211 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)CN1CC[N@H+](C)CC12CCCCC2 ZINC000178405030 496442618 /nfs/dbraw/zinc/44/26/18/496442618.db2.gz VMDMJYBPQDLEBQ-FQEVSTJZSA-N 1 1 358.526 3.105 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(C)CC12CCCCC2 ZINC000178405030 496442622 /nfs/dbraw/zinc/44/26/22/496442622.db2.gz VMDMJYBPQDLEBQ-FQEVSTJZSA-N 1 1 358.526 3.105 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(C)CC12CCCCC2 ZINC000178405030 496442629 /nfs/dbraw/zinc/44/26/29/496442629.db2.gz VMDMJYBPQDLEBQ-FQEVSTJZSA-N 1 1 358.526 3.105 20 30 FGEDMO C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000181582553 496456614 /nfs/dbraw/zinc/45/66/14/496456614.db2.gz AHXJNVOCRHWNIY-HNNXBMFYSA-N 1 1 371.506 3.486 20 30 FGEDMO C=CCOc1cccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000157484039 496486465 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FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCc1nccs1 ZINC000157620265 496516872 /nfs/dbraw/zinc/51/68/72/496516872.db2.gz UPSMRRCYYNPFSF-AWEZNQCLSA-N 1 1 360.458 3.092 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)C[C@@H]2CCOC2)c1C#N ZINC000178764484 496563055 /nfs/dbraw/zinc/56/30/55/496563055.db2.gz SNALGVDYAHYRKC-KRWDZBQOSA-N 1 1 372.513 3.389 20 30 FGEDMO CC(C)[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nc(-c2nc[nH]n2)no1 ZINC000184867716 496565232 /nfs/dbraw/zinc/56/52/32/496565232.db2.gz MRWYITGHEPYJRP-OAHLLOKOSA-N 1 1 365.441 3.143 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153762462 496571356 /nfs/dbraw/zinc/57/13/56/496571356.db2.gz YTIKUGQJAQGHRF-NRFANRHFSA-N 1 1 370.497 3.143 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c1C#N ZINC000153762462 496571360 /nfs/dbraw/zinc/57/13/60/496571360.db2.gz YTIKUGQJAQGHRF-NRFANRHFSA-N 1 1 370.497 3.143 20 30 FGEDMO C=CCn1c(SC[C@@H](O)C[N@H+](C)C(C)C)nnc1-c1ccccc1C ZINC000574771176 505852621 /nfs/dbraw/zinc/85/26/21/505852621.db2.gz UKSZOUHVXKQVJE-INIZCTEOSA-N 1 1 360.527 3.233 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@]4(CCOC4)C3)sc2C1 ZINC000153860835 496604886 /nfs/dbraw/zinc/60/48/86/496604886.db2.gz UGVAKBOFDBTOHI-XOBRGWDASA-N 1 1 373.522 3.186 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CCc2nccs2)c1 ZINC000158040034 496613963 /nfs/dbraw/zinc/61/39/63/496613963.db2.gz GSCHBTOYEUQDST-UHFFFAOYSA-N 1 1 356.495 3.181 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)CCc2nccs2)c1 ZINC000158040034 496613967 /nfs/dbraw/zinc/61/39/67/496613967.db2.gz GSCHBTOYEUQDST-UHFFFAOYSA-N 1 1 356.495 3.181 20 30 FGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000158328937 496677990 /nfs/dbraw/zinc/67/79/90/496677990.db2.gz LLZUXPXIOYPFKW-INIZCTEOSA-N 1 1 353.445 3.395 20 30 FGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000158328937 496677995 /nfs/dbraw/zinc/67/79/95/496677995.db2.gz LLZUXPXIOYPFKW-INIZCTEOSA-N 1 1 353.445 3.395 20 30 FGEDMO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(C#N)o3)C2=O)ccc1Br ZINC000185188620 496698059 /nfs/dbraw/zinc/69/80/59/496698059.db2.gz NYOUCRHWGPRFDB-INIZCTEOSA-N 1 1 374.238 3.117 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000185298643 496726261 /nfs/dbraw/zinc/72/62/61/496726261.db2.gz SUOLMTGNJXKPJA-FPOVZHCZSA-N 1 1 366.461 3.435 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000247002710 496748255 /nfs/dbraw/zinc/74/82/55/496748255.db2.gz PCHHCWLOOYZZFX-QUCCMNQESA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000247002710 496748258 /nfs/dbraw/zinc/74/82/58/496748258.db2.gz PCHHCWLOOYZZFX-QUCCMNQESA-N 1 1 368.525 3.473 20 30 FGEDMO CCOc1cccc(CNC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194958853 496773057 /nfs/dbraw/zinc/77/30/57/496773057.db2.gz URQXCQSNIVWCPW-UHFFFAOYSA-N 1 1 363.461 3.238 20 30 FGEDMO CCOc1cccc(CNC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194958853 496773061 /nfs/dbraw/zinc/77/30/61/496773061.db2.gz URQXCQSNIVWCPW-UHFFFAOYSA-N 1 1 363.461 3.238 20 30 FGEDMO C[N@@H+](CCOc1cccc(CNc2ccc(C#N)cn2)c1)C1CCOCC1 ZINC000263976388 496778750 /nfs/dbraw/zinc/77/87/50/496778750.db2.gz YHAXHHXSOBJRMA-UHFFFAOYSA-N 1 1 366.465 3.055 20 30 FGEDMO C=CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000188418588 496784008 /nfs/dbraw/zinc/78/40/08/496784008.db2.gz TVAKGTWZKSHMEH-QFIPXVFZSA-N 1 1 364.489 3.495 20 30 FGEDMO C[N@H+]1CC[C@H](CNC(=O)NCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000273475178 496816106 /nfs/dbraw/zinc/81/61/06/496816106.db2.gz FPXAUZJVLUNHOF-CJNGLKHVSA-N 1 1 352.841 3.075 20 30 FGEDMO C=CCSCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247495855 496872644 /nfs/dbraw/zinc/87/26/44/496872644.db2.gz WOOVLTNQTFXEAT-ZBFHGGJFSA-N 1 1 353.557 3.349 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)nc1 ZINC000569186245 505871749 /nfs/dbraw/zinc/87/17/49/505871749.db2.gz SUDLFOPFGIHBJE-MRXNPFEDSA-N 1 1 367.428 3.126 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000572025279 505872465 /nfs/dbraw/zinc/87/24/65/505872465.db2.gz XRIOMZLNAIEECR-KXBFYZLASA-N 1 1 374.529 3.462 20 30 FGEDMO Clc1ccc(OCC[NH+]2CCN(CC#Cc3ccccc3)CC2)cc1 ZINC000191912638 496930335 /nfs/dbraw/zinc/93/03/35/496930335.db2.gz XMKGYTWBZKIUOM-UHFFFAOYSA-N 1 1 354.881 3.388 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000191969670 496949121 /nfs/dbraw/zinc/94/91/21/496949121.db2.gz YTQIMOSXSCZCIY-OAHLLOKOSA-N 1 1 357.498 3.076 20 30 FGEDMO C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248407642 496999565 /nfs/dbraw/zinc/99/95/65/496999565.db2.gz UOQURYMRMPLPNS-RYRKJORJSA-N 1 1 355.482 3.095 20 30 FGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000248453654 497016626 /nfs/dbraw/zinc/01/66/26/497016626.db2.gz ZEBVMLYANPFHEV-CVEARBPZSA-N 1 1 364.371 3.144 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248465661 497021737 /nfs/dbraw/zinc/02/17/37/497021737.db2.gz RUZURMOVWQCJMT-MAUKXSAKSA-N 1 1 359.445 3.010 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248465661 497021743 /nfs/dbraw/zinc/02/17/43/497021743.db2.gz RUZURMOVWQCJMT-MAUKXSAKSA-N 1 1 359.445 3.010 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000265003038 497028811 /nfs/dbraw/zinc/02/88/11/497028811.db2.gz DKDWURISLLJYJV-HNNXBMFYSA-N 1 1 374.506 3.178 20 30 FGEDMO CCC(CC)C[N@H+](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265147142 497057828 /nfs/dbraw/zinc/05/78/28/497057828.db2.gz RSZWTOHJJAIDND-MRXNPFEDSA-N 1 1 354.454 3.270 20 30 FGEDMO CCC(CC)C[N@@H+](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265147142 497057832 /nfs/dbraw/zinc/05/78/32/497057832.db2.gz RSZWTOHJJAIDND-MRXNPFEDSA-N 1 1 354.454 3.270 20 30 FGEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000572081729 505884279 /nfs/dbraw/zinc/88/42/79/505884279.db2.gz XZXVNLCRZHSBBW-LBPRGKRZSA-N 1 1 372.391 3.350 20 30 FGEDMO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265310495 497096120 /nfs/dbraw/zinc/09/61/20/497096120.db2.gz IJSZSOYPTORCMI-WBVHZDCISA-N 1 1 352.438 3.022 20 30 FGEDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000265310495 497096125 /nfs/dbraw/zinc/09/61/25/497096125.db2.gz IJSZSOYPTORCMI-WBVHZDCISA-N 1 1 352.438 3.022 20 30 FGEDMO CC(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)N1CCCC1 ZINC000278668220 497183877 /nfs/dbraw/zinc/18/38/77/497183877.db2.gz NWBCRBLGJXIGHZ-FQEVSTJZSA-N 1 1 366.513 3.069 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192707184 497190588 /nfs/dbraw/zinc/19/05/88/497190588.db2.gz JJUYDHXLQSNBBJ-SFHVURJKSA-N 1 1 356.422 3.195 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192707184 497190597 /nfs/dbraw/zinc/19/05/97/497190597.db2.gz JJUYDHXLQSNBBJ-SFHVURJKSA-N 1 1 356.422 3.195 20 30 FGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192712278 497192653 /nfs/dbraw/zinc/19/26/53/497192653.db2.gz NXIOEAXUBQKWPV-RBUKOAKNSA-N 1 1 363.465 3.231 20 30 FGEDMO CC(C)(C#N)CC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278787664 497220893 /nfs/dbraw/zinc/22/08/93/497220893.db2.gz PXWIJEOICQFGON-KRWDZBQOSA-N 1 1 351.454 3.208 20 30 FGEDMO Cc1cc(C)c2ncc(C#N)c(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000265970402 497221372 /nfs/dbraw/zinc/22/13/72/497221372.db2.gz BEPXMNFREYKGGY-UHFFFAOYSA-N 1 1 352.482 3.006 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000569268852 505893123 /nfs/dbraw/zinc/89/31/23/505893123.db2.gz NFPYYHMYTCUXLY-MRXNPFEDSA-N 1 1 370.522 3.007 20 30 FGEDMO C=C(C)COc1cccc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000278928006 497270403 /nfs/dbraw/zinc/27/04/03/497270403.db2.gz VWGXFOZZOAIBBH-QGZVFWFLSA-N 1 1 373.497 3.359 20 30 FGEDMO N#CCCCCS(=O)(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000275427171 497323498 /nfs/dbraw/zinc/32/34/98/497323498.db2.gz DKVQYCBUNXMXNQ-KRWDZBQOSA-N 1 1 369.918 3.090 20 30 FGEDMO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266606551 497380791 /nfs/dbraw/zinc/38/07/91/497380791.db2.gz GJIYKORWYFKCRC-QILLFSRXSA-N 1 1 366.465 3.412 20 30 FGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000266606551 497380796 /nfs/dbraw/zinc/38/07/96/497380796.db2.gz GJIYKORWYFKCRC-QILLFSRXSA-N 1 1 366.465 3.412 20 30 FGEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000245404537 497388191 /nfs/dbraw/zinc/38/81/91/497388191.db2.gz POLUGHICYZCAGN-IRXDYDNUSA-N 1 1 354.498 3.353 20 30 FGEDMO CCCO[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000245537688 497444651 /nfs/dbraw/zinc/44/46/51/497444651.db2.gz YKYWTZBNVWZJQD-PMACEKPBSA-N 1 1 355.482 3.335 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000245543416 497447906 /nfs/dbraw/zinc/44/79/06/497447906.db2.gz KQXCIIKUKKXQTI-SUMWQHHRSA-N 1 1 350.304 3.483 20 30 FGEDMO N#Cc1ccc(C[NH+]2CCC(NCc3cn4ccsc4n3)CC2)cc1 ZINC000271889075 497480634 /nfs/dbraw/zinc/48/06/34/497480634.db2.gz RLEBMLMPQPUEEN-UHFFFAOYSA-N 1 1 351.479 3.022 20 30 FGEDMO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000245683858 497501367 /nfs/dbraw/zinc/50/13/67/497501367.db2.gz LXTGEXQUJKQTHK-BEFAXECRSA-N 1 1 363.465 3.294 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000245716239 497513815 /nfs/dbraw/zinc/51/38/15/497513815.db2.gz OCRFYKBUJBKHAT-OAGGEKHMSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000245716239 497513817 /nfs/dbraw/zinc/51/38/17/497513817.db2.gz OCRFYKBUJBKHAT-OAGGEKHMSA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245732164 497520165 /nfs/dbraw/zinc/52/01/65/497520165.db2.gz WDMSPOXRNJLUGX-QWFCFKBJSA-N 1 1 365.481 3.101 20 30 FGEDMO Cc1cc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nn1CCC#N ZINC000272166673 497553489 /nfs/dbraw/zinc/55/34/89/497553489.db2.gz ZPGDJNWZCAVKDM-SJLPKXTDSA-N 1 1 372.517 3.224 20 30 FGEDMO C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000245892805 497561475 /nfs/dbraw/zinc/56/14/75/497561475.db2.gz MMEFPAZRCGBGNN-RBUKOAKNSA-N 1 1 354.542 3.233 20 30 FGEDMO C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCC[C@H](C)C1 ZINC000245892805 497561478 /nfs/dbraw/zinc/56/14/78/497561478.db2.gz MMEFPAZRCGBGNN-RBUKOAKNSA-N 1 1 354.542 3.233 20 30 FGEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000245929185 497574849 /nfs/dbraw/zinc/57/48/49/497574849.db2.gz ISWBIPRIUNDWOL-ZIFCJYIRSA-N 1 1 372.513 3.218 20 30 FGEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H](CCC#N)c2ccccc2)C[C@H](C)O1 ZINC000245929185 497574853 /nfs/dbraw/zinc/57/48/53/497574853.db2.gz ISWBIPRIUNDWOL-ZIFCJYIRSA-N 1 1 372.513 3.218 20 30 FGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000246077572 497613158 /nfs/dbraw/zinc/61/31/58/497613158.db2.gz SXIBMILJEHSCGZ-RTBURBONSA-N 1 1 350.418 3.200 20 30 FGEDMO CC(C)CCOC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000194339142 497639214 /nfs/dbraw/zinc/63/92/14/497639214.db2.gz PGBASAWHEJIXAT-FQEVSTJZSA-N 1 1 355.482 3.191 20 30 FGEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000246178754 497649455 /nfs/dbraw/zinc/64/94/55/497649455.db2.gz RFKVVSCBUUMXHR-IRLDBZIGSA-N 1 1 365.477 3.201 20 30 FGEDMO C=CC[N@@H+](CCOC)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000191105799 497710697 /nfs/dbraw/zinc/71/06/97/497710697.db2.gz YDWQWDAXQJMZNM-UHFFFAOYSA-N 1 1 361.511 3.352 20 30 FGEDMO C[N@@H+]1CCCC[C@@H]1CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000268410125 497743429 /nfs/dbraw/zinc/74/34/29/497743429.db2.gz AJFUJIGCJLQUKA-HXUWFJFHSA-N 1 1 354.498 3.083 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1CCN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000268410125 497743433 /nfs/dbraw/zinc/74/34/33/497743433.db2.gz AJFUJIGCJLQUKA-HXUWFJFHSA-N 1 1 354.498 3.083 20 30 FGEDMO CN1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000268410125 497743439 /nfs/dbraw/zinc/74/34/39/497743439.db2.gz AJFUJIGCJLQUKA-HXUWFJFHSA-N 1 1 354.498 3.083 20 30 FGEDMO C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)C1=CC[N@@H+](C)CC1 ZINC000272898951 497756003 /nfs/dbraw/zinc/75/60/03/497756003.db2.gz INHGVELTLLCIOD-OAHLLOKOSA-N 1 1 365.433 3.110 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1C ZINC000273162384 497804963 /nfs/dbraw/zinc/80/49/63/497804963.db2.gz ZVURGMOQYNUPLJ-FQEVSTJZSA-N 1 1 369.440 3.012 20 30 FGEDMO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000246750888 497808114 /nfs/dbraw/zinc/80/81/14/497808114.db2.gz NCFAVWPDXXQUDJ-JKSUJKDBSA-N 1 1 361.511 3.378 20 30 FGEDMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000246750888 497808115 /nfs/dbraw/zinc/80/81/15/497808115.db2.gz NCFAVWPDXXQUDJ-JKSUJKDBSA-N 1 1 361.511 3.378 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C[C@H](C)O)ccc1Cl ZINC000246911068 497820057 /nfs/dbraw/zinc/82/00/57/497820057.db2.gz YAHUULLSNUTACV-HOTGVXAUSA-N 1 1 363.889 3.130 20 30 FGEDMO Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCOCC3(CCOCC3)C2)c(C)c1 ZINC000329564864 497830571 /nfs/dbraw/zinc/83/05/71/497830571.db2.gz OAQATOXYGYGGEV-UHFFFAOYSA-N 1 1 374.525 3.240 20 30 FGEDMO Cc1cc(C)c(CCNC(=O)C[N@H+]2CCOCC3(CCOCC3)C2)c(C)c1 ZINC000329564864 497830578 /nfs/dbraw/zinc/83/05/78/497830578.db2.gz OAQATOXYGYGGEV-UHFFFAOYSA-N 1 1 374.525 3.240 20 30 FGEDMO CC1(C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)[C@@H]2CCCO[C@@H]21 ZINC000329568080 497832035 /nfs/dbraw/zinc/83/20/35/497832035.db2.gz PIWMTLYIMOWKBK-HAGHYFMRSA-N 1 1 372.509 3.345 20 30 FGEDMO N#Cc1ccnc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000288579724 497836729 /nfs/dbraw/zinc/83/67/29/497836729.db2.gz YBUIHNGQNOAJKQ-FPOVZHCZSA-N 1 1 360.461 3.080 20 30 FGEDMO C[C@H](NCC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329673358 497864538 /nfs/dbraw/zinc/86/45/38/497864538.db2.gz NZXDUALLJFPTQY-UONOGXRCSA-N 1 1 362.543 3.462 20 30 FGEDMO CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)C1 ZINC000329682632 497867921 /nfs/dbraw/zinc/86/79/21/497867921.db2.gz XKGMMJXEUCYIGN-XSLAGTTESA-N 1 1 357.502 3.055 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3CC23CCOCC3)CC[N@H+]1C ZINC000329686660 497869061 /nfs/dbraw/zinc/86/90/61/497869061.db2.gz FSRWRTWYAQRGAG-SUMDDJOVSA-N 1 1 357.498 3.067 20 30 FGEDMO N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000329684033 497869345 /nfs/dbraw/zinc/86/93/45/497869345.db2.gz XXSNZFNEKVSZPS-QGZVFWFLSA-N 1 1 350.426 3.134 20 30 FGEDMO Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)nn1CCC#N ZINC000280724724 497872983 /nfs/dbraw/zinc/87/29/83/497872983.db2.gz QFQPDSFWXFYHJG-QGZVFWFLSA-N 1 1 358.490 3.024 20 30 FGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288773567 497895206 /nfs/dbraw/zinc/89/52/06/497895206.db2.gz JUUARXVWHSLFOR-NRFANRHFSA-N 1 1 354.425 3.133 20 30 FGEDMO CC[C@H]1CC[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[N@@H+](C)CC2)O1 ZINC000329777228 497897580 /nfs/dbraw/zinc/89/75/80/497897580.db2.gz OVMUWCBPFUCUDD-MAUKXSAKSA-N 1 1 359.470 3.010 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000329783125 497900395 /nfs/dbraw/zinc/90/03/95/497900395.db2.gz OGJFZOJHZVHFNI-UHFFFAOYSA-N 1 1 355.482 3.053 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000329783125 497900402 /nfs/dbraw/zinc/90/04/02/497900402.db2.gz OGJFZOJHZVHFNI-UHFFFAOYSA-N 1 1 355.482 3.053 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[C@H](O)C2)[C@H]1c1cccs1 ZINC000329797556 497904021 /nfs/dbraw/zinc/90/40/21/497904021.db2.gz FPSGRLHUECTYTJ-CBZIJGRNSA-N 1 1 365.543 3.186 20 30 FGEDMO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC)cc1 ZINC000284802301 497905325 /nfs/dbraw/zinc/90/53/25/497905325.db2.gz PNWINVRGWWWKGF-AWEZNQCLSA-N 1 1 358.463 3.211 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)C2=O)cc1 ZINC000329799560 497905571 /nfs/dbraw/zinc/90/55/71/497905571.db2.gz XWZBQIUCIZAQGW-ZCNNSNEGSA-N 1 1 365.477 3.087 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)C2=O)cc1 ZINC000329799560 497905578 /nfs/dbraw/zinc/90/55/78/497905578.db2.gz XWZBQIUCIZAQGW-ZCNNSNEGSA-N 1 1 365.477 3.087 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000280896887 497940672 /nfs/dbraw/zinc/94/06/72/497940672.db2.gz SSXACHAAZRNHRS-LVCYWYKZSA-N 1 1 366.509 3.115 20 30 FGEDMO CC1(C)C[C@H](NC(=O)NC[C@H]2CCc3nccn3C2)c2ccc(F)cc2O1 ZINC000329924074 497955004 /nfs/dbraw/zinc/95/50/04/497955004.db2.gz UUTLGUNPAZVYRK-CJNGLKHVSA-N 1 1 372.444 3.391 20 30 FGEDMO CC1(C)C[C@H](NC([O-])=[NH+]C[C@H]2CCc3[nH+]ccn3C2)c2ccc(F)cc2O1 ZINC000329924074 497955008 /nfs/dbraw/zinc/95/50/08/497955008.db2.gz UUTLGUNPAZVYRK-CJNGLKHVSA-N 1 1 372.444 3.391 20 30 FGEDMO NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329991818 497983070 /nfs/dbraw/zinc/98/30/70/497983070.db2.gz XERWPQYFJLCWHF-QRVBRYPASA-N 1 1 372.513 3.496 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000285062413 497984170 /nfs/dbraw/zinc/98/41/70/497984170.db2.gz LQJZHJWEDYZRAK-OALUTQOASA-N 1 1 351.454 3.002 20 30 FGEDMO CC[C@@H](NC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C)c1c(C)noc1C ZINC000330019698 497992479 /nfs/dbraw/zinc/99/24/79/497992479.db2.gz VMZKLRHPFVALSS-CQSZACIVSA-N 1 1 356.430 3.283 20 30 FGEDMO Cc1csc([C@H](C)CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)n1 ZINC000330022097 497993600 /nfs/dbraw/zinc/99/36/00/497993600.db2.gz ZAGBJPQADQUJSO-SNVBAGLBSA-N 1 1 358.471 3.096 20 30 FGEDMO CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000285123221 497999493 /nfs/dbraw/zinc/99/94/93/497999493.db2.gz MVFIOAFJAKCSRZ-FQEVSTJZSA-N 1 1 356.470 3.298 20 30 FGEDMO CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N1CCC[C@@H]([NH+]3CCCC3)CC1)CC2 ZINC000330045677 498002713 /nfs/dbraw/zinc/00/27/13/498002713.db2.gz IGJUAMNSRUNBDP-RTBURBONSA-N 1 1 373.545 3.186 20 30 FGEDMO 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CC1(C)C[N@H+](C2(CNc3ncc([N+](=O)[O-])cc3C#N)CCCCC2)CCO1 ZINC000518199662 503926326 /nfs/dbraw/zinc/92/63/26/503926326.db2.gz GYVDNXJLLKCFDO-UHFFFAOYSA-N 1 1 373.457 3.087 20 30 FGEDMO Cc1ccc(OC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1C ZINC000530336377 503929290 /nfs/dbraw/zinc/92/92/90/503929290.db2.gz MEDHBTQPMOQSPX-QGZVFWFLSA-N 1 1 355.482 3.098 20 30 FGEDMO CC(C)COC1CCN(CC#CC[NH+]2CCC(OCC(C)C)CC2)CC1 ZINC000530360546 503937328 /nfs/dbraw/zinc/93/73/28/503937328.db2.gz MWZPTDNLCOKGMA-UHFFFAOYSA-N 1 1 364.574 3.264 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000533866137 503975411 /nfs/dbraw/zinc/97/54/11/503975411.db2.gz QCRBQGTWBOHNLF-SFHVURJKSA-N 1 1 359.433 3.011 20 30 FGEDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]2C ZINC000541024637 503979349 /nfs/dbraw/zinc/97/93/49/503979349.db2.gz PGVJPNSHPUJROB-JKSUJKDBSA-N 1 1 363.461 3.191 20 30 FGEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]2C ZINC000541024637 503979355 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N#Cc1nc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccc1Cl ZINC000518914934 504092675 /nfs/dbraw/zinc/09/26/75/504092675.db2.gz QOPJUOIBGLQIHB-GFCCVEGCSA-N 1 1 362.811 3.383 20 30 FGEDMO N#Cc1nc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccc1Cl ZINC000518914934 504092683 /nfs/dbraw/zinc/09/26/83/504092683.db2.gz QOPJUOIBGLQIHB-GFCCVEGCSA-N 1 1 362.811 3.383 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C#N)s1 ZINC000534314496 504107617 /nfs/dbraw/zinc/10/76/17/504107617.db2.gz YNKWKQDVLHMTSQ-INIZCTEOSA-N 1 1 369.490 3.452 20 30 FGEDMO CC[C@@H](CO)[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000544408388 504122345 /nfs/dbraw/zinc/12/23/45/504122345.db2.gz XJIOYGQPUWJLHN-SFHVURJKSA-N 1 1 371.868 3.423 20 30 FGEDMO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000538141960 504144942 /nfs/dbraw/zinc/14/49/42/504144942.db2.gz ZWJGGRZMWSSQCE-OAQYLSRUSA-N 1 1 353.441 3.169 20 30 FGEDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)Cc3cccc(C#N)c3)c2)C[C@@H](C)O1 ZINC000531146988 504206618 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365.477 3.452 20 30 FGEDMO CC1(N2CCOCC2)CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000528727746 504351497 /nfs/dbraw/zinc/35/14/97/504351497.db2.gz FQDZXYRVIJVKKD-UHFFFAOYSA-N 1 1 367.415 3.264 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000548165564 504355003 /nfs/dbraw/zinc/35/50/03/504355003.db2.gz UMSARSJMZRVKJP-QFIPXVFZSA-N 1 1 364.445 3.467 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762659 504368863 /nfs/dbraw/zinc/36/88/63/504368863.db2.gz OZJODKRVVFANNT-QGZVFWFLSA-N 1 1 354.498 3.103 20 30 FGEDMO COC(=O)c1cccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c1C#N ZINC000535217879 504375631 /nfs/dbraw/zinc/37/56/31/504375631.db2.gz BAULZRUWPOTDMT-UHFFFAOYSA-N 1 1 363.461 3.053 20 30 FGEDMO CCCC[N@@H+](C)CC1CCN(Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000535228031 504376937 /nfs/dbraw/zinc/37/69/37/504376937.db2.gz WLHOXAVVJVHISM-UHFFFAOYSA-N 1 1 357.498 3.289 20 30 FGEDMO C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000545214280 504400564 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CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000599552178 506496811 /nfs/dbraw/zinc/49/68/11/506496811.db2.gz WOPFRGMPTGGYCI-UHFFFAOYSA-N 1 1 365.424 3.453 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC1(C)COC1 ZINC000599573056 506504379 /nfs/dbraw/zinc/50/43/79/506504379.db2.gz FBEHBVDHODAATO-UHFFFAOYSA-N 1 1 361.511 3.186 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000589280617 506505094 /nfs/dbraw/zinc/50/50/94/506505094.db2.gz VGRQNOKMMOPWLZ-FQEVSTJZSA-N 1 1 360.461 3.024 20 30 FGEDMO C[N@@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000593323566 506540317 /nfs/dbraw/zinc/54/03/17/506540317.db2.gz QFQJVJKXJOWBOZ-VXKWHMMOSA-N 1 1 361.489 3.459 20 30 FGEDMO C[N@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000593323566 506540323 /nfs/dbraw/zinc/54/03/23/506540323.db2.gz QFQJVJKXJOWBOZ-VXKWHMMOSA-N 1 1 361.489 3.459 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCc3cccnc3)CC2)cc1 ZINC000596693585 506542259 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HKEOMHJMTPPVNI-WIYYLYMNSA-N 1 1 368.525 3.155 20 30 FGEDMO N#CCn1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC000609160947 506799599 /nfs/dbraw/zinc/79/95/99/506799599.db2.gz RWUISTINNPXCLV-LJQANCHMSA-N 1 1 358.445 3.169 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2F)C1 ZINC000609239975 506823541 /nfs/dbraw/zinc/82/35/41/506823541.db2.gz GMGHDOBLOMJSHH-HNAYVOBHSA-N 1 1 366.440 3.332 20 30 FGEDMO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000600212948 506850431 /nfs/dbraw/zinc/85/04/31/506850431.db2.gz LWQYZNDYQCNZKJ-INIZCTEOSA-N 1 1 364.445 3.251 20 30 FGEDMO CC(C)C[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000604494811 506851710 /nfs/dbraw/zinc/85/17/10/506851710.db2.gz FCGKVRBLYZXCNY-UHFFFAOYSA-N 1 1 353.441 3.472 20 30 FGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000604520707 506858475 /nfs/dbraw/zinc/85/84/75/506858475.db2.gz FMKUOOKVHQXHCP-NRSPTQNISA-N 1 1 357.498 3.141 20 30 FGEDMO COc1ccc(C(C)C)cc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000593972352 506858862 /nfs/dbraw/zinc/85/88/62/506858862.db2.gz AHCPMFIIOZQOQA-UHFFFAOYSA-N 1 1 367.497 3.054 20 30 FGEDMO C[C@H]1C[C@H](N(C)C(=O)CC2(C#N)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000597278747 506875981 /nfs/dbraw/zinc/87/59/81/506875981.db2.gz SEYMXHJPHJSXGQ-AZUAARDMSA-N 1 1 369.509 3.208 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000594017415 506885803 /nfs/dbraw/zinc/88/58/03/506885803.db2.gz ZBKSWGGHKGNRMM-JKSUJKDBSA-N 1 1 361.511 3.256 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1CO ZINC000594017415 506885811 /nfs/dbraw/zinc/88/58/11/506885811.db2.gz ZBKSWGGHKGNRMM-JKSUJKDBSA-N 1 1 361.511 3.256 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597322055 506895788 /nfs/dbraw/zinc/89/57/88/506895788.db2.gz YWULYLLMKZRTMN-MRXNPFEDSA-N 1 1 369.415 3.431 20 30 FGEDMO C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)[N@H+]1CCC[C@H](C)C1 ZINC000609515519 506905652 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FGEDMO Cc1ccc(CNC(=O)NCc2ccc(C#N)c(F)c2)c(N2CCCC2)[nH+]1 ZINC000590816811 506978707 /nfs/dbraw/zinc/97/87/07/506978707.db2.gz ULIJZAVNBACNOE-UHFFFAOYSA-N 1 1 367.428 3.000 20 30 FGEDMO CC(C)[N@H+](Cc1ccc(NC(=O)N2CC(C#N)C2)cc1)C[C@@H]1CCCCO1 ZINC000590826063 506983367 /nfs/dbraw/zinc/98/33/67/506983367.db2.gz UZAIVBOMIUTVNQ-FQEVSTJZSA-N 1 1 370.497 3.453 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597516273 506987130 /nfs/dbraw/zinc/98/71/30/506987130.db2.gz FVESPKMGSGCKIP-BFUOFWGJSA-N 1 1 355.388 3.087 20 30 FGEDMO N#Cc1ccc2c(c1)CN(C(=O)NCCC[N@H+]1CCc3ccccc3C1)C2 ZINC000594208404 507010458 /nfs/dbraw/zinc/01/04/58/507010458.db2.gz CXYXPZCSVSYSGM-UHFFFAOYSA-N 1 1 360.461 3.032 20 30 FGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594216144 507015472 /nfs/dbraw/zinc/01/54/72/507015472.db2.gz IYZWJPHXICNPNQ-SJORKVTESA-N 1 1 354.498 3.357 20 30 FGEDMO N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000600611017 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507174533 /nfs/dbraw/zinc/17/45/33/507174533.db2.gz RWFDKLUAGHZCIZ-UHFFFAOYSA-N 1 1 351.410 3.357 20 30 FGEDMO C[C@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000610347432 507204078 /nfs/dbraw/zinc/20/40/78/507204078.db2.gz ODWSOAZJZAOKSD-KRWDZBQOSA-N 1 1 350.466 3.441 20 30 FGEDMO C[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000610347691 507205891 /nfs/dbraw/zinc/20/58/91/507205891.db2.gz GFKSYVAEOXAUTL-CABCVRRESA-N 1 1 368.506 3.427 20 30 FGEDMO C[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000610347691 507205903 /nfs/dbraw/zinc/20/59/03/507205903.db2.gz GFKSYVAEOXAUTL-CABCVRRESA-N 1 1 368.506 3.427 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)C1 ZINC000598194319 507305746 /nfs/dbraw/zinc/30/57/46/507305746.db2.gz FJSQAMVETXDLJS-LJQANCHMSA-N 1 1 351.425 3.086 20 30 FGEDMO CC(C)(C)OCCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000610681244 507344722 /nfs/dbraw/zinc/34/47/22/507344722.db2.gz PKEDWGHGPQSRSO-UHFFFAOYSA-N 1 1 358.442 3.133 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614222936 507412140 /nfs/dbraw/zinc/41/21/40/507412140.db2.gz SRBOOUAYJPQWFA-GOSISDBHSA-N 1 1 355.482 3.214 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222936 507412144 /nfs/dbraw/zinc/41/21/44/507412144.db2.gz SRBOOUAYJPQWFA-GOSISDBHSA-N 1 1 355.482 3.214 20 30 FGEDMO C=C(C)C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(=O)OC ZINC000601788250 507457668 /nfs/dbraw/zinc/45/76/68/507457668.db2.gz SUNGZNOXAMDDKI-WMZOPIPTSA-N 1 1 373.497 3.117 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCSc1cccc(Cl)c1 ZINC000595339897 507465150 /nfs/dbraw/zinc/46/51/50/507465150.db2.gz RAMQSXQDBWJQKD-AWEZNQCLSA-N 1 1 373.913 3.304 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCSc1cccc(Cl)c1 ZINC000595339897 507465153 /nfs/dbraw/zinc/46/51/53/507465153.db2.gz RAMQSXQDBWJQKD-AWEZNQCLSA-N 1 1 373.913 3.304 20 30 FGEDMO N#Cc1cccc(N2CC[NH+](CCSc3ccc(F)cc3F)CC2)n1 ZINC000595435230 507496486 /nfs/dbraw/zinc/49/64/86/507496486.db2.gz MWOSTRPUWHYXLM-UHFFFAOYSA-N 1 1 360.433 3.146 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000598594784 507510266 /nfs/dbraw/zinc/51/02/66/507510266.db2.gz JSSFSHBMYHRXTG-UNMCSNQZSA-N 1 1 355.526 3.275 20 30 FGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000598594784 507510273 /nfs/dbraw/zinc/51/02/73/507510273.db2.gz JSSFSHBMYHRXTG-UNMCSNQZSA-N 1 1 355.526 3.275 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c(Cl)c1 ZINC000592154755 507512260 /nfs/dbraw/zinc/51/22/60/507512260.db2.gz IVZOVLJHCDUMHM-SFHVURJKSA-N 1 1 353.853 3.350 20 30 FGEDMO CC[N@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@@H]1C ZINC000611092294 507513200 /nfs/dbraw/zinc/51/32/00/507513200.db2.gz OBPSLYCRJDNNEN-GJZGRUSLSA-N 1 1 374.554 3.099 20 30 FGEDMO COc1ccc(C[N@@H+](CCc2ccccn2)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598610213 507517738 /nfs/dbraw/zinc/51/77/38/507517738.db2.gz GFUVWQAXCNEXNS-FQEVSTJZSA-N 1 1 367.493 3.436 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)C[C@H]2CCC[C@H]2O)c1C#N ZINC000611110203 507519285 /nfs/dbraw/zinc/51/92/85/507519285.db2.gz KDMLVJROQFYVFU-VQIMIIECSA-N 1 1 372.513 3.123 20 30 FGEDMO CC(C)n1cc(C2=CCC[N@@H+](CCOc3ccccc3C#N)CC2)nn1 ZINC000595516968 507540148 /nfs/dbraw/zinc/54/01/48/507540148.db2.gz RDWJFLUVZUXEOE-UHFFFAOYSA-N 1 1 351.454 3.289 20 30 FGEDMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595620216 507595891 /nfs/dbraw/zinc/59/58/91/507595891.db2.gz KMGQCIYYYINHKO-YLJYHZDGSA-N 1 1 355.482 3.374 20 30 FGEDMO CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595620216 507595898 /nfs/dbraw/zinc/59/58/98/507595898.db2.gz KMGQCIYYYINHKO-YLJYHZDGSA-N 1 1 355.482 3.374 20 30 FGEDMO N#Cc1sccc1N1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000595630792 507601892 /nfs/dbraw/zinc/60/18/92/507601892.db2.gz KDLZFQHIZPVBRI-UHFFFAOYSA-N 1 1 374.897 3.424 20 30 FGEDMO N#Cc1sccc1N1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000595631840 507603621 /nfs/dbraw/zinc/60/36/21/507603621.db2.gz JSXLEDCZFXHZJF-UHFFFAOYSA-N 1 1 374.897 3.424 20 30 FGEDMO CC[N@@H+](CCC1CCN(C(=O)CNc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000611299900 507611836 /nfs/dbraw/zinc/61/18/36/507611836.db2.gz QMPVSYICZQYTLF-UHFFFAOYSA-N 1 1 368.525 3.331 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)c1 ZINC000595671338 507620310 /nfs/dbraw/zinc/62/03/10/507620310.db2.gz QPQBOLMYFSECIG-AZUAARDMSA-N 1 1 357.498 3.033 20 30 FGEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1OCC(=O)NC ZINC000611380065 507651633 /nfs/dbraw/zinc/65/16/33/507651633.db2.gz RSTKSPLWOWKEJW-SFHVURJKSA-N 1 1 355.413 3.063 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000595749928 507664917 /nfs/dbraw/zinc/66/49/17/507664917.db2.gz IMDZBDNRNHQLDD-XMSQKQJNSA-N 1 1 369.509 3.176 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)o2)cc1 ZINC000595790421 507687411 /nfs/dbraw/zinc/68/74/11/507687411.db2.gz PVLFMHSYAPYCBB-ROUUACIJSA-N 1 1 352.438 3.389 20 30 FGEDMO C[C@H]1CC2(C[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1)CCOCC2 ZINC000592526540 507696819 /nfs/dbraw/zinc/69/68/19/507696819.db2.gz HWCJCWJBEYNWLH-KRWDZBQOSA-N 1 1 365.481 3.250 20 30 FGEDMO C[C@]1(C#N)CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595831292 507705255 /nfs/dbraw/zinc/70/52/55/507705255.db2.gz NFSBRNGODZSYSE-TZIWHRDSSA-N 1 1 366.509 3.234 20 30 FGEDMO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3COC[C@H]3C2)sc2c1CCCCC2 ZINC000595830878 507705813 /nfs/dbraw/zinc/70/58/13/507705813.db2.gz MSOOSSXMQUVELK-HUUCEWRRSA-N 1 1 373.522 3.186 20 30 FGEDMO COc1cccc(OC)c1OC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602456585 507716648 /nfs/dbraw/zinc/71/66/48/507716648.db2.gz ZGBMKSWJLWQVTJ-UHFFFAOYSA-N 1 1 353.422 3.014 20 30 FGEDMO CCC[N@@H+](Cc1cccc(C#N)n1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000602469427 507718316 /nfs/dbraw/zinc/71/83/16/507718316.db2.gz RZIXLDSCYIELNC-UHFFFAOYSA-N 1 1 364.497 3.241 20 30 FGEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000595868788 507720243 /nfs/dbraw/zinc/72/02/43/507720243.db2.gz ZJWYMASXHABUSX-DOTOQJQBSA-N 1 1 351.454 3.335 20 30 FGEDMO Cn1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(-c2ccc(C#N)cc2)n1 ZINC000595908948 507737378 /nfs/dbraw/zinc/73/73/78/507737378.db2.gz KBYLCPMAPNLFJW-SZPZYZBQSA-N 1 1 362.477 3.351 20 30 FGEDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@](C)(C(F)F)O1 ZINC000595914336 507740987 /nfs/dbraw/zinc/74/09/87/507740987.db2.gz GWRBGFMMGQRZRX-PIGZYNQJSA-N 1 1 371.815 3.285 20 30 FGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@](C)(C(F)F)O1 ZINC000595914336 507740993 /nfs/dbraw/zinc/74/09/93/507740993.db2.gz GWRBGFMMGQRZRX-PIGZYNQJSA-N 1 1 371.815 3.285 20 30 FGEDMO CC[C@@H](CSC)NC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328639261 522596771 /nfs/dbraw/zinc/59/67/71/522596771.db2.gz WUZQRAMAELJWKS-ULQDDVLXSA-N 1 1 350.532 3.062 20 30 FGEDMO C=CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418949 598248490 /nfs/dbraw/zinc/24/84/90/598248490.db2.gz MNHWJXYKOFLSJR-UHFFFAOYSA-N 1 1 371.448 3.241 20 30 FGEDMO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736457231 600592902 /nfs/dbraw/zinc/59/29/02/600592902.db2.gz FKFMAUIIQMGOKO-FQEVSTJZSA-N 1 1 351.450 3.314 20 30 FGEDMO C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722611 601043289 /nfs/dbraw/zinc/04/32/89/601043289.db2.gz FZRVWQOVGPQRTD-FPOVZHCZSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722611 601043291 /nfs/dbraw/zinc/04/32/91/601043291.db2.gz FZRVWQOVGPQRTD-FPOVZHCZSA-N 1 1 363.461 3.138 20 30 FGEDMO C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830722611 601043295 /nfs/dbraw/zinc/04/32/95/601043295.db2.gz FZRVWQOVGPQRTD-FPOVZHCZSA-N 1 1 363.461 3.138 20 30 FGEDMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000826183087 607637559 /nfs/dbraw/zinc/63/75/59/607637559.db2.gz CWTAUQTVNANEEH-OALUTQOASA-N 1 1 374.448 3.147 20 30 FGEDMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000826183087 607637561 /nfs/dbraw/zinc/63/75/61/607637561.db2.gz CWTAUQTVNANEEH-OALUTQOASA-N 1 1 374.448 3.147 20 30 FGEDMO CC(C)c1nc(-c2nn[nH]n2)c(N=NC2CCCC[C@@H]2[NH+]2CCCCC2)o1 ZINC000820197039 606370294 /nfs/dbraw/zinc/37/02/94/606370294.db2.gz FCWJYZQRUFSIGS-AWEZNQCLSA-N 1 1 372.477 3.175 20 30 FGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000819743339 606963085 /nfs/dbraw/zinc/96/30/85/606963085.db2.gz HDWDGWOELUEIQO-UHFFFAOYSA-N 1 1 353.401 3.203 20 30 FGEDMO C(=[NH+]NCc1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCCCC2)s1 ZINC000819718463 607252352 /nfs/dbraw/zinc/25/23/52/607252352.db2.gz IGOWXMQBRNXUDD-UHFFFAOYSA-N 1 1 367.482 3.042 20 30 FGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000029704471 695715671 /nfs/dbraw/zinc/71/56/71/695715671.db2.gz GRFDHZBYORISCG-QGZVFWFLSA-N 1 1 360.479 3.134 20 30 FGEDMO Cc1nc(CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)sc1C ZINC000088520565 700379683 /nfs/dbraw/zinc/37/96/83/700379683.db2.gz SHCCDQSEVAIUPZ-JTQLQIEISA-N 1 1 356.492 3.052 20 30 FGEDMO C#CCOc1ccc(Br)cc1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090720237 700407226 /nfs/dbraw/zinc/40/72/26/700407226.db2.gz KULZJTQXRNTQKI-XJKSGUPXSA-N 1 1 351.288 3.033 20 30 FGEDMO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000090720237 700407229 /nfs/dbraw/zinc/40/72/29/700407229.db2.gz KULZJTQXRNTQKI-XJKSGUPXSA-N 1 1 351.288 3.033 20 30 FGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCN1CC(F)F ZINC000093767197 700454143 /nfs/dbraw/zinc/45/41/43/700454143.db2.gz ZHLWYCQFXUTGTE-QGZVFWFLSA-N 1 1 350.457 3.198 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1ccccc1O ZINC000111236250 700546870 /nfs/dbraw/zinc/54/68/70/700546870.db2.gz JHCXFBSHFPGGNS-GFCCVEGCSA-N 1 1 355.463 3.273 20 30 FGEDMO C=C(Br)C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000175315181 705542616 /nfs/dbraw/zinc/54/26/16/705542616.db2.gz MZOAEDGUBPBRHV-UHFFFAOYSA-N 1 1 351.288 3.232 20 30 FGEDMO C=C(Br)CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175957536 705564992 /nfs/dbraw/zinc/56/49/92/705564992.db2.gz ZVVWRWANTGDQOT-MRXNPFEDSA-N 1 1 366.303 3.059 20 30 FGEDMO C=C(Br)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175958724 705565878 /nfs/dbraw/zinc/56/58/78/705565878.db2.gz LDBLAMWUFMBKAV-GXTWGEPZSA-N 1 1 372.332 3.339 20 30 FGEDMO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Cl)sc1Cl ZINC000180871319 705761124 /nfs/dbraw/zinc/76/11/24/705761124.db2.gz VRZXPTSSDQKVKR-NRZWERLCSA-N 1 1 360.266 3.232 20 30 FGEDMO Cc1ccc([C@@H](CNC(=[NH2+])NCCc2cccs2)N2CCCC2)cc1 ZINC000303881879 713789467 /nfs/dbraw/zinc/78/94/67/713789467.db2.gz LDXQLYLQUFZUDS-LJQANCHMSA-N 1 1 356.539 3.340 20 30 FGEDMO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000329620300 713831026 /nfs/dbraw/zinc/83/10/26/713831026.db2.gz REBBSAYXOWGFPE-HZPDHXFCSA-N 1 1 351.491 3.328 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)NCC2CCC(C#N)CC2)[C@H]1c1cccs1 ZINC000374071711 713898024 /nfs/dbraw/zinc/89/80/24/713898024.db2.gz JAMUWZDFBNWEHW-OBQMCRIKSA-N 1 1 360.527 3.370 20 30 FGEDMO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000374678864 713938822 /nfs/dbraw/zinc/93/88/22/713938822.db2.gz LCQQMVWKONCBEX-HZPDHXFCSA-N 1 1 361.511 3.378 20 30 FGEDMO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000374678864 713938823 /nfs/dbraw/zinc/93/88/23/713938823.db2.gz LCQQMVWKONCBEX-HZPDHXFCSA-N 1 1 361.511 3.378 20 30 FGEDMO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000374678858 713938839 /nfs/dbraw/zinc/93/88/39/713938839.db2.gz LCQQMVWKONCBEX-CVEARBPZSA-N 1 1 361.511 3.378 20 30 FGEDMO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000374678858 713938841 /nfs/dbraw/zinc/93/88/41/713938841.db2.gz LCQQMVWKONCBEX-CVEARBPZSA-N 1 1 361.511 3.378 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000374985550 713958504 /nfs/dbraw/zinc/95/85/04/713958504.db2.gz ZCVTTXCSRJRUOR-CQSZACIVSA-N 1 1 360.889 3.099 20 30 FGEDMO C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000524633163 714293147 /nfs/dbraw/zinc/29/31/47/714293147.db2.gz GAADYOCXFPQQBG-CRAIPNDOSA-N 1 1 362.905 3.496 20 30 FGEDMO C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000524633163 714293149 /nfs/dbraw/zinc/29/31/49/714293149.db2.gz GAADYOCXFPQQBG-CRAIPNDOSA-N 1 1 362.905 3.496 20 30 FGEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1 ZINC000615806912 714550436 /nfs/dbraw/zinc/55/04/36/714550436.db2.gz RJNBCNVXKYLUIP-GOEBONIOSA-N 1 1 356.388 3.155 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000779147770 724395490 /nfs/dbraw/zinc/39/54/90/724395490.db2.gz KKIMQIVWQAIZDP-UHFFFAOYSA-N 1 1 362.901 3.336 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000779156985 724396247 /nfs/dbraw/zinc/39/62/47/724396247.db2.gz KTXDFQQXHIBJFX-INIZCTEOSA-N 1 1 360.885 3.186 20 30 FGEDMO C=CC[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000625701223 715775756 /nfs/dbraw/zinc/77/57/56/715775756.db2.gz NZCABDFRHISRSJ-CYBMUJFWSA-N 1 1 358.301 3.121 20 30 FGEDMO C=CC[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000625701223 715775758 /nfs/dbraw/zinc/77/57/58/715775758.db2.gz NZCABDFRHISRSJ-CYBMUJFWSA-N 1 1 358.301 3.121 20 30 FGEDMO Cc1ccc(-n2c(Cl)c(C=[NH+][N-]c3cc[nH+]cc3)nc2N(C)C)cc1 ZINC000779809464 724428279 /nfs/dbraw/zinc/42/82/79/724428279.db2.gz JPPMFXPXHQXATI-UHFFFAOYSA-N 1 1 354.845 3.163 20 30 FGEDMO C=CCCC[N@H+](C)Cn1ncc2c1ccc(Br)c2C(=O)OC ZINC000790446783 723141527 /nfs/dbraw/zinc/14/15/27/723141527.db2.gz PUYNEYFISXJXNH-UHFFFAOYSA-N 1 1 366.259 3.441 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000780354989 724458841 /nfs/dbraw/zinc/45/88/41/724458841.db2.gz ZJKXKXPBMWZXPH-INIZCTEOSA-N 1 1 358.438 3.127 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000780354989 724458843 /nfs/dbraw/zinc/45/88/43/724458843.db2.gz ZJKXKXPBMWZXPH-INIZCTEOSA-N 1 1 358.438 3.127 20 30 FGEDMO Cc1cc(C#N)nc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000804445544 724518370 /nfs/dbraw/zinc/51/83/70/724518370.db2.gz INYHFRQPACZTFB-OAHLLOKOSA-N 1 1 357.845 3.092 20 30 FGEDMO N#Cc1cc(Cl)nnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164621848 719066159 /nfs/dbraw/zinc/06/61/59/719066159.db2.gz HYXJSKXUGOEYHB-DOTOQJQBSA-N 1 1 353.857 3.102 20 30 FGEDMO N#Cc1cc(Cl)nnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164621850 719066464 /nfs/dbraw/zinc/06/64/64/719066464.db2.gz HYXJSKXUGOEYHB-NVXWUHKLSA-N 1 1 353.857 3.102 20 30 FGEDMO C#CCCCS(=O)(=O)N(CCC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000804980040 724570876 /nfs/dbraw/zinc/57/08/76/724570876.db2.gz DDPRZTKIBMALLA-HXUWFJFHSA-N 1 1 362.539 3.106 20 30 FGEDMO C#CCNC(=S)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000782211159 724639026 /nfs/dbraw/zinc/63/90/26/724639026.db2.gz XUTWHJXTRYNHTD-JKSUJKDBSA-N 1 1 367.921 3.490 20 30 FGEDMO C#CCNC(=S)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000782211159 724639029 /nfs/dbraw/zinc/63/90/29/724639029.db2.gz XUTWHJXTRYNHTD-JKSUJKDBSA-N 1 1 367.921 3.490 20 30 FGEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cc(C)c1C#N)C2 ZINC001164810368 720075092 /nfs/dbraw/zinc/07/50/92/720075092.db2.gz LGRRCXSGJUKQMK-UZLBHIALSA-N 1 1 374.916 3.100 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000662086334 720373839 /nfs/dbraw/zinc/37/38/39/720373839.db2.gz RFUMFXFTBLHKAY-GASCZTMLSA-N 1 1 360.255 3.140 20 30 FGEDMO N#Cc1c2c(cnc1N1CC[C@@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)CCCC2 ZINC001164724812 720480823 /nfs/dbraw/zinc/48/08/23/720480823.db2.gz HWCGVUZXCRWWHJ-RTWAWAEBSA-N 1 1 359.477 3.080 20 30 FGEDMO C=CCC1(NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CCCC1 ZINC000664140470 720598764 /nfs/dbraw/zinc/59/87/64/720598764.db2.gz BWKPLPXSIIJTEC-MSOLQXFVSA-N 1 1 351.535 3.312 20 30 FGEDMO C=CCS(=O)(=O)CC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000782966435 724712913 /nfs/dbraw/zinc/71/29/13/724712913.db2.gz FAVADKNUGPHLEZ-UHFFFAOYSA-N 1 1 362.476 3.247 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3[nH]c(C#N)cc3n1)[C@H]2C ZINC001164864215 720997467 /nfs/dbraw/zinc/99/74/67/720997467.db2.gz ZTGKTZKBQYDIIU-AWEZNQCLSA-N 1 1 363.469 3.052 20 30 FGEDMO C=C[C@@](C)(O)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000668489146 721298203 /nfs/dbraw/zinc/29/82/03/721298203.db2.gz JQXDWENFCBYKBE-QGZVFWFLSA-N 1 1 357.281 3.011 20 30 FGEDMO N#Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1Cl ZINC001164900006 721515386 /nfs/dbraw/zinc/51/53/86/721515386.db2.gz MZZYHFPPJUYQHN-ZBFHGGJFSA-N 1 1 372.831 3.088 20 30 FGEDMO Cc1ccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1C#N ZINC001165026432 721810846 /nfs/dbraw/zinc/81/08/46/721810846.db2.gz QFTBSBQRIURVAG-CUWPLCDZSA-N 1 1 361.493 3.394 20 30 FGEDMO N#Cc1nc(Cl)cnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164993192 722195214 /nfs/dbraw/zinc/19/52/14/722195214.db2.gz CJJCVAOFXLXGGK-IBGZPJMESA-N 1 1 371.847 3.386 20 30 FGEDMO N#Cc1c(Cl)ncnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164992732 722195630 /nfs/dbraw/zinc/19/56/30/722195630.db2.gz AVKVQMAKDNDDMK-LJQANCHMSA-N 1 1 371.847 3.386 20 30 FGEDMO C=C(C)C[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000729986687 722464013 /nfs/dbraw/zinc/46/40/13/722464013.db2.gz RCDNBPABWGTUHH-UHFFFAOYSA-N 1 1 362.417 3.433 20 30 FGEDMO C#CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733197197 722493781 /nfs/dbraw/zinc/49/37/81/722493781.db2.gz QFUCPXUKCYJXAT-GOEBONIOSA-N 1 1 350.256 3.387 20 30 FGEDMO C#CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733197197 722493782 /nfs/dbraw/zinc/49/37/82/722493782.db2.gz QFUCPXUKCYJXAT-GOEBONIOSA-N 1 1 350.256 3.387 20 30 FGEDMO CCOCCC[N@H+]1CCC(=NNC(=S)N[C@@H]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000735228104 722513486 /nfs/dbraw/zinc/51/34/86/722513486.db2.gz PMWXJCVGCVPFJD-GVDBMIGSSA-N 1 1 368.591 3.154 20 30 FGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000736319020 722522744 /nfs/dbraw/zinc/52/27/44/722522744.db2.gz SKFKQMGPAIUUDE-HIFRSBDPSA-N 1 1 354.479 3.297 20 30 FGEDMO C=C(Cl)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000736402352 722523095 /nfs/dbraw/zinc/52/30/95/722523095.db2.gz FVNRRSMGTNRPGK-CQSZACIVSA-N 1 1 361.795 3.331 20 30 FGEDMO COCCCOC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000741791543 722549190 /nfs/dbraw/zinc/54/91/90/722549190.db2.gz WTXBOCSMWMOXDI-UHFFFAOYSA-N 1 1 352.862 3.260 20 30 FGEDMO C#CC[N@H+](CC(=O)NCCc1nc2ccccc2s1)C1CCCCC1 ZINC000744390726 722576594 /nfs/dbraw/zinc/57/65/94/722576594.db2.gz KFCDFAQUFBCWKO-UHFFFAOYSA-N 1 1 355.507 3.223 20 30 FGEDMO COc1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1C#N ZINC000747446866 722647434 /nfs/dbraw/zinc/64/74/34/722647434.db2.gz KNURKOAXKCVFOD-GOSISDBHSA-N 1 1 357.841 3.139 20 30 FGEDMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000747676110 722656060 /nfs/dbraw/zinc/65/60/60/722656060.db2.gz RWLYRYKHGGQMHA-KRWDZBQOSA-N 1 1 353.853 3.437 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000749653235 722735863 /nfs/dbraw/zinc/73/58/63/722735863.db2.gz LCCANEPKEAOZTL-CCEZHUSRSA-N 1 1 350.384 3.276 20 30 FGEDMO C[C@H](C#N)C[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)C1CC1 ZINC000753978074 722921350 /nfs/dbraw/zinc/92/13/50/722921350.db2.gz VADULBJQTMQXRO-GFCCVEGCSA-N 1 1 360.255 3.346 20 30 FGEDMO CCOCCC[N@H+]1CCC(N=Nc2ccc(C(F)(F)F)nn2)[C@H](C)C1 ZINC000754711379 722944830 /nfs/dbraw/zinc/94/48/30/722944830.db2.gz XDKMHRBORNLHFH-GFCCVEGCSA-N 1 1 359.396 3.032 20 30 FGEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc(C#N)ccc1Br ZINC000755551043 722954378 /nfs/dbraw/zinc/95/43/78/722954378.db2.gz VQOPIIDURVVIGN-OAHLLOKOSA-N 1 1 351.244 3.238 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1cc(C#N)ccc1Br ZINC000755551043 722954379 /nfs/dbraw/zinc/95/43/79/722954379.db2.gz VQOPIIDURVVIGN-OAHLLOKOSA-N 1 1 351.244 3.238 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000756548973 722966659 /nfs/dbraw/zinc/96/66/59/722966659.db2.gz CXHQQEDQPDKDJE-GOSISDBHSA-N 1 1 354.475 3.302 20 30 FGEDMO CC(C)[N@@H+](Cc1ccc(Br)cc1)Cn1cccc(C#N)c1=O ZINC000758197825 722985968 /nfs/dbraw/zinc/98/59/68/722985968.db2.gz KXSQYORITRKPJM-UHFFFAOYSA-N 1 1 360.255 3.351 20 30 FGEDMO CC(C)[N@H+](Cc1ccc(Br)cc1)Cn1cccc(C#N)c1=O ZINC000758197825 722985969 /nfs/dbraw/zinc/98/59/69/722985969.db2.gz KXSQYORITRKPJM-UHFFFAOYSA-N 1 1 360.255 3.351 20 30 FGEDMO COc1cccc(O)c1/C=N/C[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000760977104 723109232 /nfs/dbraw/zinc/10/92/32/723109232.db2.gz CGNPYXQQZFATED-VYVDHXHBSA-N 1 1 356.491 3.437 20 30 FGEDMO COc1ccc(O)c(/C=N/C[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1 ZINC000760979749 723110001 /nfs/dbraw/zinc/11/00/01/723110001.db2.gz LVRKSZYFZOHIHS-AGKWGAAGSA-N 1 1 356.491 3.437 20 30 FGEDMO C[C@@H]1CC(N=Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[N@H+]1C ZINC000761793635 723184537 /nfs/dbraw/zinc/18/45/37/723184537.db2.gz NPLAAJFVEZDHRH-SSDOTTSWSA-N 1 1 361.280 3.014 20 30 FGEDMO C#C[C@H](CCC)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000791744958 723276941 /nfs/dbraw/zinc/27/69/41/723276941.db2.gz FBZIMSBSJBBYRK-AEFFLSMTSA-N 1 1 352.400 3.359 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=S)Nc1ccccc1C#N ZINC000764930623 723460552 /nfs/dbraw/zinc/46/05/52/723460552.db2.gz MSGRNXCZVNMHDL-HNAYVOBHSA-N 1 1 350.491 3.365 20 30 FGEDMO N#Cc1ccccc1NC(=S)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794991198 723555546 /nfs/dbraw/zinc/55/55/46/723555546.db2.gz KGJNFMUMCGPWAC-QGZVFWFLSA-N 1 1 350.491 3.367 20 30 FGEDMO C=C(Br)CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000766528476 723578793 /nfs/dbraw/zinc/57/87/93/723578793.db2.gz JEEMRQXRWXMYSK-GJZGRUSLSA-N 1 1 366.303 3.199 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000795720615 723607186 /nfs/dbraw/zinc/60/71/86/723607186.db2.gz VNTHTZOJUXOTCA-QGZVFWFLSA-N 1 1 359.388 3.409 20 30 FGEDMO Cc1ccccc1[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000769913285 723700351 /nfs/dbraw/zinc/70/03/51/723700351.db2.gz NAPDDXSXPQZZKP-FQEVSTJZSA-N 1 1 355.869 3.376 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1nc2ccc(Br)cc2s1)[C@H]1CCCO1 ZINC000775013394 723951956 /nfs/dbraw/zinc/95/19/56/723951956.db2.gz NPVSBCRZYROKMC-DGCLKSJQSA-N 1 1 351.269 3.329 20 30 FGEDMO C#C[C@@H]([NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C)[C@H]1CCCO1 ZINC000775343985 723983719 /nfs/dbraw/zinc/98/37/19/723983719.db2.gz BBKCRQDEKXNYCQ-QZTJIDSGSA-N 1 1 374.282 3.214 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000799086805 723987270 /nfs/dbraw/zinc/98/72/70/723987270.db2.gz HZDFQKURYIPUIT-ZQIUZPCESA-N 1 1 351.277 3.453 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000799086805 723987274 /nfs/dbraw/zinc/98/72/74/723987274.db2.gz HZDFQKURYIPUIT-ZQIUZPCESA-N 1 1 351.277 3.453 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(OCCOC)nc1 ZINC000778159472 724305034 /nfs/dbraw/zinc/30/50/34/724305034.db2.gz UYGVZWQYEAWKDK-UHFFFAOYSA-N 1 1 360.841 3.062 20 30 FGEDMO C[C@@H](C#N)OCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000801912391 724344839 /nfs/dbraw/zinc/34/48/39/724344839.db2.gz PEUSLGSLKDCXOL-JTQLQIEISA-N 1 1 363.767 3.158 20 30 FGEDMO C[C@@H](C#N)OCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000801912391 724344842 /nfs/dbraw/zinc/34/48/42/724344842.db2.gz PEUSLGSLKDCXOL-JTQLQIEISA-N 1 1 363.767 3.158 20 30 FGEDMO CC(C)[C@@H](C(=O)O[C@@H](C#N)Cc1ccc(F)cc1F)[NH+]1CCCCC1 ZINC000778709692 724356547 /nfs/dbraw/zinc/35/65/47/724356547.db2.gz BJWRKXBROIVFER-AEFFLSMTSA-N 1 1 350.409 3.453 20 30 FGEDMO C=CCCN(C)Cn1nc(C[NH+]2CCCC2)n(-c2ccccc2)c1=S ZINC000786100547 724960141 /nfs/dbraw/zinc/96/01/41/724960141.db2.gz BQBSDZIRGIZJOE-UHFFFAOYSA-N 1 1 357.527 3.464 20 30 FGEDMO COc1cc(C[NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)ccc1C#N ZINC000811513656 725371530 /nfs/dbraw/zinc/37/15/30/725371530.db2.gz LYNXVLBGXZSXEG-UHFFFAOYSA-N 1 1 358.751 3.262 20 30 FGEDMO C#CCNC(=O)CC[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000815045928 727025238 /nfs/dbraw/zinc/02/52/38/727025238.db2.gz ZWRSJWSTEIBHFG-CQSZACIVSA-N 1 1 367.312 3.057 20 30 FGEDMO C#CC[N@@H+](CCOCC=C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000815049328 727026183 /nfs/dbraw/zinc/02/61/83/727026183.db2.gz ZBACKUAOMQUTFS-MRXNPFEDSA-N 1 1 350.256 3.411 20 30 FGEDMO C#CC[N@H+](CCOCC=C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000815049328 727026187 /nfs/dbraw/zinc/02/61/87/727026187.db2.gz ZBACKUAOMQUTFS-MRXNPFEDSA-N 1 1 350.256 3.411 20 30 FGEDMO C#CCNC(=O)CC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000815084360 727034840 /nfs/dbraw/zinc/03/48/40/727034840.db2.gz CWVSESTTXCKUCK-IRXDYDNUSA-N 1 1 352.400 3.413 20 30 FGEDMO C=C(Cl)CSc1nc(C)c(CC(=O)N(C)CC[N@@H+](C)C2CC2)s1 ZINC000819499761 727379625 /nfs/dbraw/zinc/37/96/25/727379625.db2.gz KBZGXIUYDADFCB-UHFFFAOYSA-N 1 1 373.975 3.391 20 30 FGEDMO C#C[C@H](NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccc(Cl)cc1F ZINC000820744823 729024610 /nfs/dbraw/zinc/02/46/10/729024610.db2.gz LIMZGQRYSJGDOH-JEBQAFNWSA-N 1 1 363.864 3.279 20 30 FGEDMO C#C[C@@H](NC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccc(Cl)cc1F ZINC000820745029 729024719 /nfs/dbraw/zinc/02/47/19/729024719.db2.gz PXGZJSKXOXJHKF-CXAGYDPISA-N 1 1 351.853 3.137 20 30 FGEDMO C#C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1F ZINC000820750160 729025552 /nfs/dbraw/zinc/02/55/52/729025552.db2.gz LHEDFJSPXASICE-IEBWSBKVSA-N 1 1 363.864 3.281 20 30 FGEDMO C#C[C@H](NC(=O)N(CCC)[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1F ZINC000820756224 729027286 /nfs/dbraw/zinc/02/72/86/729027286.db2.gz ZXKMBLXEDOQTMB-YOEHRIQHSA-N 1 1 351.853 3.279 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2ccc(F)c(Br)c2)n1C ZINC000821039581 729052776 /nfs/dbraw/zinc/05/27/76/729052776.db2.gz SFUYXVACXJUHLF-FNORWQNLSA-N 1 1 352.207 3.284 20 30 FGEDMO COCCOc1ccc(Cl)cc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822981140 729240675 /nfs/dbraw/zinc/24/06/75/729240675.db2.gz XEDMDWKYOZSSER-CYBMUJFWSA-N 1 1 350.806 3.109 20 30 FGEDMO C#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000829788791 729512113 /nfs/dbraw/zinc/51/21/13/729512113.db2.gz GXTOLUCGXHJMES-LBPRGKRZSA-N 1 1 353.235 3.262 20 30 FGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000829788791 729512117 /nfs/dbraw/zinc/51/21/17/729512117.db2.gz GXTOLUCGXHJMES-LBPRGKRZSA-N 1 1 353.235 3.262 20 30 FGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000829805575 729513398 /nfs/dbraw/zinc/51/33/98/729513398.db2.gz VGJCGZFAMCFZOH-MRXNPFEDSA-N 1 1 353.491 3.308 20 30 FGEDMO C#CC[C@@H]1CCC[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C1 ZINC000829805575 729513401 /nfs/dbraw/zinc/51/34/01/729513401.db2.gz VGJCGZFAMCFZOH-MRXNPFEDSA-N 1 1 353.491 3.308 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000836288227 729950797 /nfs/dbraw/zinc/95/07/97/729950797.db2.gz NNBODOSWNKRRCK-OAHLLOKOSA-N 1 1 356.495 3.125 20 30 FGEDMO Cc1cc(Br)cc2c1C(=O)/C(=C\c1c[nH+]c(N(C)C)n1C)C2 ZINC000840721792 730166014 /nfs/dbraw/zinc/16/60/14/730166014.db2.gz ZPCRRLAPGZMRGY-WQLSENKSSA-N 1 1 360.255 3.379 20 30 FGEDMO Nc1nc(Cl)cc(N=NC2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000841632706 730261004 /nfs/dbraw/zinc/26/10/04/730261004.db2.gz GNIFGXYJCHWRSS-OAHLLOKOSA-N 1 1 356.861 3.480 20 30 FGEDMO CC#CCC[N@H+]1CCC[C@H]([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)C1 ZINC000844354437 730706442 /nfs/dbraw/zinc/70/64/42/730706442.db2.gz JNPKYQHYLZPOFY-OKZBNKHCSA-N 1 1 350.503 3.184 20 30 FGEDMO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848351493 731158276 /nfs/dbraw/zinc/15/82/76/731158276.db2.gz DOTIDZAGFYLWBT-SJORKVTESA-N 1 1 350.384 3.190 20 30 FGEDMO C#C[C@@H]1CCC[N@@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000848494580 731171079 /nfs/dbraw/zinc/17/10/79/731171079.db2.gz RKFMBTYRMUAGGV-PBHICJAKSA-N 1 1 361.283 3.068 20 30 FGEDMO C#C[C@@H]1CCC[N@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000848494580 731171082 /nfs/dbraw/zinc/17/10/82/731171082.db2.gz RKFMBTYRMUAGGV-PBHICJAKSA-N 1 1 361.283 3.068 20 30 FGEDMO C#C[C@H]1CCC[N@@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000848494590 731171143 /nfs/dbraw/zinc/17/11/43/731171143.db2.gz RKFMBTYRMUAGGV-YOEHRIQHSA-N 1 1 361.283 3.068 20 30 FGEDMO C#C[C@H]1CCC[N@H+](CN2CC[C@@H](c3cccc(Br)c3)C2=O)C1 ZINC000848494590 731171144 /nfs/dbraw/zinc/17/11/44/731171144.db2.gz RKFMBTYRMUAGGV-YOEHRIQHSA-N 1 1 361.283 3.068 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2ncc(Cl)cn2)c1C ZINC000857223613 732113517 /nfs/dbraw/zinc/11/35/17/732113517.db2.gz WBEBDMGSXUARFT-QGZVFWFLSA-N 1 1 360.893 3.479 20 30 FGEDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]2CCC[C@H]21 ZINC000859952147 732421891 /nfs/dbraw/zinc/42/18/91/732421891.db2.gz SQGVNOUSRLHUSH-BBWFWOEESA-N 1 1 362.857 3.406 20 30 FGEDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]2CCC[C@H]21 ZINC000859952147 732421892 /nfs/dbraw/zinc/42/18/92/732421892.db2.gz SQGVNOUSRLHUSH-BBWFWOEESA-N 1 1 362.857 3.406 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000862643380 732858925 /nfs/dbraw/zinc/85/89/25/732858925.db2.gz RAAOAEPAFUBJBJ-BONVTDFDSA-N 1 1 371.225 3.002 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000862643380 732858929 /nfs/dbraw/zinc/85/89/29/732858929.db2.gz RAAOAEPAFUBJBJ-BONVTDFDSA-N 1 1 371.225 3.002 20 30 FGEDMO C[N@@H+]1CCC(N=Nc2ncccn2)C[C@H]1c1ccc(Br)cc1 ZINC000863079687 732913994 /nfs/dbraw/zinc/91/39/94/732913994.db2.gz WRNYVYMFVIKQOK-HNNXBMFYSA-N 1 1 360.259 3.474 20 30 FGEDMO C[N@H+]1CCC(N=Nc2ncccn2)C[C@H]1c1ccc(Br)cc1 ZINC000863079687 732913996 /nfs/dbraw/zinc/91/39/96/732913996.db2.gz WRNYVYMFVIKQOK-HNNXBMFYSA-N 1 1 360.259 3.474 20 30 FGEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cc(F)c(Br)cc1F ZINC000863104178 732915118 /nfs/dbraw/zinc/91/51/18/732915118.db2.gz WHWOAEBCEIOIHJ-OKILXGFUSA-N 1 1 371.229 3.311 20 30 FGEDMO Fc1cccc(C[NH2+]C[C@@H](n2cncn2)C(F)(F)F)c1OC(F)(F)F ZINC000865683469 733252008 /nfs/dbraw/zinc/25/20/08/733252008.db2.gz ZXCZCNURBSYERH-SNVBAGLBSA-N 1 1 372.244 3.209 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1sccc1CC#N ZINC000866356890 733339774 /nfs/dbraw/zinc/33/97/74/733339774.db2.gz PEBIUGRPPFXVNY-MAUKXSAKSA-N 1 1 353.491 3.455 20 30 FGEDMO CSc1nnc(SC)n1[NH+]=CCCCN(C)C(=O)OC(C)(C)C ZINC000872417618 735627252 /nfs/dbraw/zinc/62/72/52/735627252.db2.gz HCGAUVHTESZGIR-UHFFFAOYSA-N 1 1 359.521 3.203 20 30 FGEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c(-c2ccncc2)n1 ZINC000877740513 736712452 /nfs/dbraw/zinc/71/24/52/736712452.db2.gz VWFYGGBFUHTGAG-AEFFLSMTSA-N 1 1 353.495 3.044 20 30 FGEDMO CO[C@]1(C(F)(F)F)CC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000880308223 737150796 /nfs/dbraw/zinc/15/07/96/737150796.db2.gz BDDQOWNYUCDNTA-IAGOWNOFSA-N 1 1 354.372 3.080 20 30 FGEDMO CO[C@]1(C(F)(F)F)CC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000880308223 737150805 /nfs/dbraw/zinc/15/08/05/737150805.db2.gz BDDQOWNYUCDNTA-IAGOWNOFSA-N 1 1 354.372 3.080 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCCSC[C@H]2c2ccccc2)CCOCC1 ZINC000880388709 737168535 /nfs/dbraw/zinc/16/85/35/737168535.db2.gz NGVQDLZMSPQTJG-OALUTQOASA-N 1 1 360.523 3.238 20 30 FGEDMO CC[N@@H+](CCNC(=O)Nc1cc(C#N)c(F)cc1F)CCC(F)(F)F ZINC000880713617 737208779 /nfs/dbraw/zinc/20/87/79/737208779.db2.gz SMARAEQGAXKSOU-UHFFFAOYSA-N 1 1 364.318 3.232 20 30 FGEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(CC(=O)Nc3ccccc3C)n2)C1 ZINC000886361431 739249674 /nfs/dbraw/zinc/24/96/74/739249674.db2.gz HQEAJOPNJQDGGT-MRXNPFEDSA-N 1 1 353.491 3.478 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)N(C)Cc3cc(C#N)cs3)CC2)cs1 ZINC000887972330 739452627 /nfs/dbraw/zinc/45/26/27/739452627.db2.gz RDWABMZUVGNCPF-UHFFFAOYSA-N 1 1 374.535 3.255 20 30 FGEDMO N#Cc1sc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)nc1Cl ZINC000888406691 739517241 /nfs/dbraw/zinc/51/72/41/739517241.db2.gz FNKLPXPMEJVRQC-UHFFFAOYSA-N 1 1 361.858 3.018 20 30 FGEDMO C=CC(C)(C)NC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000892945943 740061160 /nfs/dbraw/zinc/06/11/60/740061160.db2.gz NZHUQADHEFHGJO-UHFFFAOYSA-N 1 1 350.532 3.181 20 30 FGEDMO C#CC1(O)CC[NH+](Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000895378997 742404387 /nfs/dbraw/zinc/40/43/87/742404387.db2.gz IFEBOFJJAGKPMF-UHFFFAOYSA-N 1 1 356.853 3.274 20 30 FGEDMO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000897628804 742697332 /nfs/dbraw/zinc/69/73/32/742697332.db2.gz MNHKOMMOSNWSFB-JTQLQIEISA-N 1 1 364.858 3.184 20 30 FGEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000897630126 742697871 /nfs/dbraw/zinc/69/78/71/742697871.db2.gz RGGJNQYDRCDAQK-OCCSQVGLSA-N 1 1 350.488 3.282 20 30 FGEDMO C=CCc1cc(C[NH2+]Cc2cc(C(F)(F)F)n(C)n2)cc(OC)c1O ZINC000898022165 742735144 /nfs/dbraw/zinc/73/51/44/742735144.db2.gz DEXHOERFSUBMFR-UHFFFAOYSA-N 1 1 355.360 3.171 20 30 FGEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCCC2)ccc1S(=O)(=O)C(F)F ZINC000903107655 743805605 /nfs/dbraw/zinc/80/56/05/743805605.db2.gz AUMZFDHZWBSUAV-GFCCVEGCSA-N 1 1 372.437 3.426 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2csc(C)c2)CC1 ZINC000948786483 762347859 /nfs/dbraw/zinc/34/78/59/762347859.db2.gz ZJKUQTFAKIAEFY-OTWHNJEPSA-N 1 1 362.539 3.461 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC000948840172 762351641 /nfs/dbraw/zinc/35/16/41/762351641.db2.gz AGWXLQIKDWIAIQ-LXCCHGFXSA-N 1 1 354.922 3.423 20 30 FGEDMO C=CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C(C)C ZINC000917167907 758186837 /nfs/dbraw/zinc/18/68/37/758186837.db2.gz HMRREKMMEPBYAM-UHFFFAOYSA-N 1 1 357.376 3.499 20 30 FGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F)C(C)C ZINC000917167907 758186848 /nfs/dbraw/zinc/18/68/48/758186848.db2.gz HMRREKMMEPBYAM-UHFFFAOYSA-N 1 1 357.376 3.499 20 30 FGEDMO N#Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c(Cl)c1 ZINC000928102972 760088174 /nfs/dbraw/zinc/08/81/74/760088174.db2.gz KLWHXLCHYPJPPT-KBPBESRZSA-N 1 1 370.305 3.175 20 30 FGEDMO N#Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c(Cl)c1 ZINC000928102972 760088181 /nfs/dbraw/zinc/08/81/81/760088181.db2.gz KLWHXLCHYPJPPT-KBPBESRZSA-N 1 1 370.305 3.175 20 30 FGEDMO N#Cc1ccsc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000931839322 760980374 /nfs/dbraw/zinc/98/03/74/760980374.db2.gz LXRGJQFTTOWTBY-CALCHBBNSA-N 1 1 352.463 3.215 20 30 FGEDMO Cc1nc(CC2CC[NH+](Cc3cc(Cl)ccc3OCC#N)CC2)no1 ZINC000932243078 761103273 /nfs/dbraw/zinc/10/32/73/761103273.db2.gz GOEUOSRJDAGTOO-UHFFFAOYSA-N 1 1 360.845 3.389 20 30 FGEDMO Cc1csc(C[C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)n1 ZINC000933124481 761320967 /nfs/dbraw/zinc/32/09/67/761320967.db2.gz ZAMKWBAODSXKFW-MRXNPFEDSA-N 1 1 354.479 3.216 20 30 FGEDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cc(C#N)cs2)cccc1[N+](=O)[O-] ZINC000933776754 761472097 /nfs/dbraw/zinc/47/20/97/761472097.db2.gz LZCBXZPYFGNPJI-UHFFFAOYSA-N 1 1 358.423 3.297 20 30 FGEDMO C[C@@H]1CCN(C(=O)C2(C#N)CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000933819728 761480594 /nfs/dbraw/zinc/48/05/94/761480594.db2.gz CMCNIGTWSCVIIZ-QGZVFWFLSA-N 1 1 357.523 3.146 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335192 761599292 /nfs/dbraw/zinc/59/92/92/761599292.db2.gz YINZUYIBSATIPZ-LBPRGKRZSA-N 1 1 360.870 3.171 20 30 FGEDMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934335192 761599296 /nfs/dbraw/zinc/59/92/96/761599296.db2.gz YINZUYIBSATIPZ-LBPRGKRZSA-N 1 1 360.870 3.171 20 30 FGEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F ZINC000959933219 762729928 /nfs/dbraw/zinc/72/99/28/762729928.db2.gz QKQKYQPGJGYSCG-BEATYMGBSA-N 1 1 356.432 3.224 20 30 FGEDMO C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)C1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000970563334 762879470 /nfs/dbraw/zinc/87/94/70/762879470.db2.gz RZXSLSIXMIXSDQ-PNHOKKKMSA-N 1 1 356.897 3.174 20 30 FGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC000971555793 762912680 /nfs/dbraw/zinc/91/26/80/762912680.db2.gz KGNAHTXCLXXBJD-GUDVDZBRSA-N 1 1 362.901 3.092 20 30 FGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 ZINC000971555793 762912684 /nfs/dbraw/zinc/91/26/84/762912684.db2.gz KGNAHTXCLXXBJD-GUDVDZBRSA-N 1 1 362.901 3.092 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)cc2Cl)C1 ZINC000972374979 762958892 /nfs/dbraw/zinc/95/88/92/762958892.db2.gz XPRRMDFLNXRRHR-JZXOWHBKSA-N 1 1 366.864 3.103 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2Cl)C1 ZINC000972374979 762958896 /nfs/dbraw/zinc/95/88/96/762958896.db2.gz XPRRMDFLNXRRHR-JZXOWHBKSA-N 1 1 366.864 3.103 20 30 FGEDMO C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1 ZINC000972380040 762960292 /nfs/dbraw/zinc/96/02/92/762960292.db2.gz CGJACDAXJGYMTN-MBOZVWFJSA-N 1 1 360.523 3.039 20 30 FGEDMO C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1 ZINC000972380040 762960300 /nfs/dbraw/zinc/96/03/00/762960300.db2.gz CGJACDAXJGYMTN-MBOZVWFJSA-N 1 1 360.523 3.039 20 30 FGEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3sccc3C)[C@@H]2C1 ZINC000978132013 763366723 /nfs/dbraw/zinc/36/67/23/763366723.db2.gz PPOBDKNZTQZYHJ-QCODTGAPSA-N 1 1 350.915 3.207 20 30 FGEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c(F)cccc3F)[C@@H]2C1 ZINC000978697735 763381520 /nfs/dbraw/zinc/38/15/20/763381520.db2.gz IHETUNTXYRJXCF-RYPNDVFKSA-N 1 1 366.839 3.115 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC000981185716 763461895 /nfs/dbraw/zinc/46/18/95/763461895.db2.gz CBSMCPUQMJWOMW-MOPGFXCFSA-N 1 1 362.901 3.356 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2cccc(Cl)c2)CC1 ZINC000981185716 763461898 /nfs/dbraw/zinc/46/18/98/763461898.db2.gz CBSMCPUQMJWOMW-MOPGFXCFSA-N 1 1 362.901 3.356 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C)cc2Cl)CC1 ZINC000981994439 763544596 /nfs/dbraw/zinc/54/45/96/763544596.db2.gz IOHXPKZTAMEBLG-MJGOQNOKSA-N 1 1 362.901 3.274 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C)cc2Cl)CC1 ZINC000981994439 763544603 /nfs/dbraw/zinc/54/46/03/763544603.db2.gz IOHXPKZTAMEBLG-MJGOQNOKSA-N 1 1 362.901 3.274 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CC=C(Cl)Cl)CC2 ZINC000992241076 764592253 /nfs/dbraw/zinc/59/22/53/764592253.db2.gz OVLYQEHEEWDZMP-FHIRATQRSA-N 1 1 359.297 3.010 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC=C(Cl)Cl)CC2 ZINC000992241076 764592262 /nfs/dbraw/zinc/59/22/62/764592262.db2.gz OVLYQEHEEWDZMP-FHIRATQRSA-N 1 1 359.297 3.010 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC000998005376 765092051 /nfs/dbraw/zinc/09/20/51/765092051.db2.gz ADCBKUXARAXZFQ-YYFUQURLSA-N 1 1 354.922 3.423 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001007359198 765588477 /nfs/dbraw/zinc/58/84/77/765588477.db2.gz CDKIWHPRLBHMQN-QRVBRYPASA-N 1 1 362.901 3.402 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001007359198 765588482 /nfs/dbraw/zinc/58/84/82/765588482.db2.gz CDKIWHPRLBHMQN-QRVBRYPASA-N 1 1 362.901 3.402 20 30 FGEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001023550986 766040051 /nfs/dbraw/zinc/04/00/51/766040051.db2.gz RVJQZCKZSVAZFW-RRFJBIMHSA-N 1 1 350.915 3.357 20 30 FGEDMO C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001023603216 766042271 /nfs/dbraw/zinc/04/22/71/766042271.db2.gz RQTREEINWBHUMQ-BZUAXINKSA-N 1 1 357.336 3.405 20 30 FGEDMO C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001023603216 766042278 /nfs/dbraw/zinc/04/22/78/766042278.db2.gz RQTREEINWBHUMQ-BZUAXINKSA-N 1 1 357.336 3.405 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)sc1C ZINC001024662469 766060800 /nfs/dbraw/zinc/06/08/00/766060800.db2.gz YBYSLJVQCKSDPD-QRVBRYPASA-N 1 1 362.539 3.427 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3Cl)C[C@H]21 ZINC001026054252 766069701 /nfs/dbraw/zinc/06/97/01/766069701.db2.gz FZFLRVORZWVJNN-IUWBYPOXSA-N 1 1 360.885 3.039 20 30 FGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001027612575 766101439 /nfs/dbraw/zinc/10/14/39/766101439.db2.gz LMERKGCGTDONCU-GUDVDZBRSA-N 1 1 362.901 3.234 20 30 FGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2OCC[C@@H]2c2ccccc2)C1 ZINC001027612575 766101441 /nfs/dbraw/zinc/10/14/41/766101441.db2.gz LMERKGCGTDONCU-GUDVDZBRSA-N 1 1 362.901 3.234 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC001028142901 766112378 /nfs/dbraw/zinc/11/23/78/766112378.db2.gz SZEPDUSIRWQTAI-RKVPGOIHSA-N 1 1 366.864 3.151 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC001028142901 766112381 /nfs/dbraw/zinc/11/23/81/766112381.db2.gz SZEPDUSIRWQTAI-RKVPGOIHSA-N 1 1 366.864 3.151 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001028809646 766133276 /nfs/dbraw/zinc/13/32/76/766133276.db2.gz MHTKYOQAAZCWNK-DAYGRLMNSA-N 1 1 366.864 3.008 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001029865224 766158320 /nfs/dbraw/zinc/15/83/20/766158320.db2.gz ZUGUJMBIOUVXPE-ZOCIIQOWSA-N 1 1 357.523 3.336 20 30 FGEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1 ZINC001034364379 766238077 /nfs/dbraw/zinc/23/80/77/766238077.db2.gz TYZUZYANDPDHAZ-RBSFLKMASA-N 1 1 350.915 3.499 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2sccc2Cl)C1 ZINC001034404031 766239158 /nfs/dbraw/zinc/23/91/58/766239158.db2.gz NTCZKVPJBZPZCN-FMKPAKJESA-N 1 1 368.930 3.463 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2sccc2Cl)C1 ZINC001034404031 766239166 /nfs/dbraw/zinc/23/91/66/766239166.db2.gz NTCZKVPJBZPZCN-FMKPAKJESA-N 1 1 368.930 3.463 20 30 FGEDMO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)C2)C1 ZINC001041599045 766334218 /nfs/dbraw/zinc/33/42/18/766334218.db2.gz PKHHSFLCIRAORE-SPYBWZPUSA-N 1 1 362.926 3.453 20 30 FGEDMO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 ZINC001045970416 766579143 /nfs/dbraw/zinc/57/91/43/766579143.db2.gz IHOBRYWOFOFQOE-VXNCWWDNSA-N 1 1 352.906 3.011 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C)cc2Cl)C1 ZINC001046630417 766596931 /nfs/dbraw/zinc/59/69/31/766596931.db2.gz RQGNZKYFUOZYDK-KPFFTGBYSA-N 1 1 362.901 3.320 20 30 FGEDMO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001046942957 766609418 /nfs/dbraw/zinc/60/94/18/766609418.db2.gz CFBDLHFBVAYZJF-IKGGRYGDSA-N 1 1 358.473 3.087 20 30 FGEDMO CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC001049528536 766791628 /nfs/dbraw/zinc/79/16/28/766791628.db2.gz GPSNKXBLUMCMAL-VQHPVUNQSA-N 1 1 356.432 3.444 20 30 FGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC001052844690 766933750 /nfs/dbraw/zinc/93/37/50/766933750.db2.gz POIVYXNVTPKDEH-SOUVJXGZSA-N 1 1 352.400 3.364 20 30 FGEDMO C[NH+]1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000070708662 221333776 /nfs/dbraw/zinc/33/37/76/221333776.db2.gz ALRJVPWUBFMONA-UHFFFAOYSA-N 1 1 351.475 3.238 20 30 FGEDMO C[C@@H](CNC(=O)Nc1ccc(F)cc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000097473591 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/nfs/dbraw/zinc/76/27/74/505762774.db2.gz YJXWBRZXVUNJIN-XMSQKQJNSA-N 1 1 350.462 3.409 20 30 FGEDMO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)s1 ZINC000119363862 495151299 /nfs/dbraw/zinc/15/12/99/495151299.db2.gz XRTPRWMPDPUUKQ-UHFFFAOYSA-N 1 1 357.454 3.462 20 30 FGEDMO C=CCOc1cccc(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000119458152 495171271 /nfs/dbraw/zinc/17/12/71/495171271.db2.gz ZWFFMBTWPZQMFZ-OAHLLOKOSA-N 1 1 360.479 3.092 20 30 FGEDMO COCC1CC[NH+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000112352829 495178523 /nfs/dbraw/zinc/17/85/23/495178523.db2.gz QVZKMETYSFHUMX-HNNXBMFYSA-N 1 1 361.511 3.235 20 30 FGEDMO CCC[N@H+]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000112408669 495185187 /nfs/dbraw/zinc/18/51/87/495185187.db2.gz DTLYCYNDPFDLTO-UHFFFAOYSA-N 1 1 362.905 3.004 20 30 FGEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000112427030 495189169 /nfs/dbraw/zinc/18/91/69/495189169.db2.gz IRBKVEWIEYTRCX-KRWDZBQOSA-N 1 1 350.466 3.333 20 30 FGEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123844893 495195882 /nfs/dbraw/zinc/19/58/82/495195882.db2.gz ZSULUJBEMDVIIC-UGSOOPFHSA-N 1 1 372.831 3.169 20 30 FGEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134772365 495198904 /nfs/dbraw/zinc/19/89/04/495198904.db2.gz UDRYHTHHTHXSSG-SJORKVTESA-N 1 1 373.453 3.285 20 30 FGEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134772365 495198908 /nfs/dbraw/zinc/19/89/08/495198908.db2.gz UDRYHTHHTHXSSG-SJORKVTESA-N 1 1 373.453 3.285 20 30 FGEDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000123948536 495210368 /nfs/dbraw/zinc/21/03/68/495210368.db2.gz BODZYKRTDCOMBU-BETUJISGSA-N 1 1 364.877 3.221 20 30 FGEDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000123948536 495210371 /nfs/dbraw/zinc/21/03/71/495210371.db2.gz BODZYKRTDCOMBU-BETUJISGSA-N 1 1 364.877 3.221 20 30 FGEDMO CC1CC[NH+](C[C@@H]2CCCN(CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000112648738 495217338 /nfs/dbraw/zinc/21/73/38/495217338.db2.gz DDVUAPZYUTZZTN-HXUWFJFHSA-N 1 1 368.525 3.331 20 30 FGEDMO C[C@H]1C[C@@H](N(C)CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1C ZINC000124010121 495220432 /nfs/dbraw/zinc/22/04/32/495220432.db2.gz FLALOJGWBPZXEB-GJZGRUSLSA-N 1 1 374.554 3.242 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)CSc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000134914432 495222370 /nfs/dbraw/zinc/22/23/70/495222370.db2.gz UULVFNQMQJMXJF-APWZRJJASA-N 1 1 365.502 3.430 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cnn(C)c1 ZINC000103474604 495238750 /nfs/dbraw/zinc/23/87/50/495238750.db2.gz VPXKQYCPWLUDCY-UHFFFAOYSA-N 1 1 371.510 3.083 20 30 FGEDMO C=CCNc1ncc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000129423824 495243684 /nfs/dbraw/zinc/24/36/84/495243684.db2.gz PYMFHPJYIXQLLD-QGZVFWFLSA-N 1 1 370.522 3.335 20 30 FGEDMO COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1C#N ZINC000135125285 495253819 /nfs/dbraw/zinc/25/38/19/495253819.db2.gz PGMDLXWSIUKXMV-GOSISDBHSA-N 1 1 363.461 3.209 20 30 FGEDMO CCN(C(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)C1CCCCC1 ZINC000577655382 505771142 /nfs/dbraw/zinc/77/11/42/505771142.db2.gz JPJVOEVFYZSOHZ-UHFFFAOYSA-N 1 1 357.498 3.188 20 30 FGEDMO CCN(C(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)C1CCCCC1 ZINC000577655382 505771145 /nfs/dbraw/zinc/77/11/45/505771145.db2.gz JPJVOEVFYZSOHZ-UHFFFAOYSA-N 1 1 357.498 3.188 20 30 FGEDMO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000129675709 495279396 /nfs/dbraw/zinc/27/93/96/495279396.db2.gz CFCAKFMIRIDTMG-UHFFFAOYSA-N 1 1 372.904 3.176 20 30 FGEDMO CC(C)c1nn(C)c(Cl)c1C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000129675709 495279401 /nfs/dbraw/zinc/27/94/01/495279401.db2.gz CFCAKFMIRIDTMG-UHFFFAOYSA-N 1 1 372.904 3.176 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129742521 495288404 /nfs/dbraw/zinc/28/84/04/495288404.db2.gz CZAXIDLGIZUVQB-XPKGASNUSA-N 1 1 371.529 3.085 20 30 FGEDMO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104714207 495300277 /nfs/dbraw/zinc/30/02/77/495300277.db2.gz KFDFSGGLQAUEOB-HNNXBMFYSA-N 1 1 369.490 3.168 20 30 FGEDMO C=CCNc1ncc(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)s1 ZINC000130138035 495346881 /nfs/dbraw/zinc/34/68/81/495346881.db2.gz LEBLJEUMLDSGLQ-HOCLYGCPSA-N 1 1 356.495 3.134 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000136583251 495388892 /nfs/dbraw/zinc/38/88/92/495388892.db2.gz ZJVAEXJPNHWINK-UHFFFAOYSA-N 1 1 357.483 3.384 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000136583251 495388898 /nfs/dbraw/zinc/38/88/98/495388898.db2.gz ZJVAEXJPNHWINK-UHFFFAOYSA-N 1 1 357.483 3.384 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000114676528 495407689 /nfs/dbraw/zinc/40/76/89/495407689.db2.gz YDVQUCJWANVOCH-FQEVSTJZSA-N 1 1 363.461 3.351 20 30 FGEDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000136951272 495412747 /nfs/dbraw/zinc/41/27/47/495412747.db2.gz DOITXJLBISTWKV-QGZVFWFLSA-N 1 1 366.431 3.183 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N(CC#N)C3CCCC3)cc2)C[C@H](C)O1 ZINC000125355540 495431124 /nfs/dbraw/zinc/43/11/24/495431124.db2.gz DUDILCFPZKMPKR-IRXDYDNUSA-N 1 1 355.482 3.204 20 30 FGEDMO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000106269112 495442058 /nfs/dbraw/zinc/44/20/58/495442058.db2.gz LUEPHJDXJVJOIO-IBGZPJMESA-N 1 1 374.529 3.065 20 30 FGEDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C12CCC2 ZINC000120909763 495483199 /nfs/dbraw/zinc/48/31/99/495483199.db2.gz JZOUOUJFIYZLQL-IRXDYDNUSA-N 1 1 352.438 3.388 20 30 FGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C12CCC2 ZINC000120909763 495483204 /nfs/dbraw/zinc/48/32/04/495483204.db2.gz JZOUOUJFIYZLQL-IRXDYDNUSA-N 1 1 352.438 3.388 20 30 FGEDMO CC(C)(C)c1ccccc1OCC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115599866 495521054 /nfs/dbraw/zinc/52/10/54/495521054.db2.gz AYPVICVYKISZJZ-IBGZPJMESA-N 1 1 351.450 3.051 20 30 FGEDMO C[C@@H]1[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CCC12CCOCC2 ZINC000574509280 505788805 /nfs/dbraw/zinc/78/88/05/505788805.db2.gz CYFOZNLRFONUPP-KRWDZBQOSA-N 1 1 365.481 3.250 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000173495868 495558608 /nfs/dbraw/zinc/55/86/08/495558608.db2.gz JCUDZDNUOHHTPW-KRWDZBQOSA-N 1 1 374.554 3.165 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000176249824 495564109 /nfs/dbraw/zinc/56/41/09/495564109.db2.gz KNAUNSZBVFBFBY-SFHVURJKSA-N 1 1 372.465 3.036 20 30 FGEDMO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000176249824 495564112 /nfs/dbraw/zinc/56/41/12/495564112.db2.gz KNAUNSZBVFBFBY-SFHVURJKSA-N 1 1 372.465 3.036 20 30 FGEDMO C[C@@H]1CCN(C(=O)c2ccccc2OCC#N)CC[N@H+]1Cc1ccccc1 ZINC000173510701 495566028 /nfs/dbraw/zinc/56/60/28/495566028.db2.gz PFMVSNCKVWMYHR-GOSISDBHSA-N 1 1 363.461 3.326 20 30 FGEDMO C=CCC(CC=C)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000182547555 495609606 /nfs/dbraw/zinc/60/96/06/495609606.db2.gz OXTFJUUFWLLZEB-UHFFFAOYSA-N 1 1 355.482 3.058 20 30 FGEDMO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC000179621777 495664798 /nfs/dbraw/zinc/66/47/98/495664798.db2.gz PBVHFXRPGQGJIU-SFHVURJKSA-N 1 1 364.417 3.351 20 30 FGEDMO COc1ccc2c(c1)C[N@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000182690953 495666230 /nfs/dbraw/zinc/66/62/30/495666230.db2.gz IJMZNUNYLYMYKO-OAQYLSRUSA-N 1 1 361.445 3.121 20 30 FGEDMO COc1ccc2c(c1)C[N@@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 ZINC000182690953 495666232 /nfs/dbraw/zinc/66/62/32/495666232.db2.gz IJMZNUNYLYMYKO-OAQYLSRUSA-N 1 1 361.445 3.121 20 30 FGEDMO N#Cc1ccccc1N1CCC[N@H+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000179690873 495693192 /nfs/dbraw/zinc/69/31/92/495693192.db2.gz RZTDTNQIZRPEHK-UHFFFAOYSA-N 1 1 351.425 3.482 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C#N)C3CCCCC3)CC2)cs1 ZINC000176571872 495704352 /nfs/dbraw/zinc/70/43/52/495704352.db2.gz XYAVHTUVKBFQPN-GOSISDBHSA-N 1 1 360.527 3.252 20 30 FGEDMO CC(C)[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1nc(C2CC2)no1 ZINC000179819515 495748432 /nfs/dbraw/zinc/74/84/32/495748432.db2.gz JBVHQHXIYZTPRZ-AWEZNQCLSA-N 1 1 359.455 3.196 20 30 FGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C1(C)C ZINC000174019073 495790789 /nfs/dbraw/zinc/79/07/89/495790789.db2.gz HACMMNUOPSGLPQ-APWZRJJASA-N 1 1 361.511 3.376 20 30 FGEDMO CS(=O)(=O)C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000154976136 495791409 /nfs/dbraw/zinc/79/14/09/495791409.db2.gz DHLJRDBEXJILFO-FQEVSTJZSA-N 1 1 372.490 3.245 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)C1 ZINC000180011554 495822736 /nfs/dbraw/zinc/82/27/36/495822736.db2.gz JDNYJZHOMXCINE-DLBZAZTESA-N 1 1 358.486 3.467 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000174145852 495836990 /nfs/dbraw/zinc/83/69/90/495836990.db2.gz VXXXFQWXXRJJKA-MOPGFXCFSA-N 1 1 357.498 3.297 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)CSCc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000180101017 495858084 /nfs/dbraw/zinc/85/80/84/495858084.db2.gz LGRLKHKYRYNCMC-CTNGQTDRSA-N 1 1 365.502 3.353 20 30 FGEDMO C=CCCOCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000155194753 495869933 /nfs/dbraw/zinc/86/99/33/495869933.db2.gz QIJGKODOIZKBHJ-GOSISDBHSA-N 1 1 370.415 3.150 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(CC4CC4)CC3)C2)c(F)c1 ZINC000160136134 495892544 /nfs/dbraw/zinc/89/25/44/495892544.db2.gz LMZNCVJQPUINDX-IBGZPJMESA-N 1 1 356.489 3.130 20 30 FGEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCSCc2ccccc2C#N)C1 ZINC000171593744 495941296 /nfs/dbraw/zinc/94/12/96/495941296.db2.gz FZCDYQGPKFCXPY-QGZVFWFLSA-N 1 1 374.554 3.211 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000155524375 495983675 /nfs/dbraw/zinc/98/36/75/495983675.db2.gz RVUYVKJPUNMLJB-HXUWFJFHSA-N 1 1 351.450 3.251 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000155524375 495983680 /nfs/dbraw/zinc/98/36/80/495983680.db2.gz RVUYVKJPUNMLJB-HXUWFJFHSA-N 1 1 351.450 3.251 20 30 FGEDMO COc1cc(F)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1OC ZINC000183489600 496005531 /nfs/dbraw/zinc/00/55/31/496005531.db2.gz JWQPMPXOFVPTDK-GFCCVEGCSA-N 1 1 357.385 3.004 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)cs1 ZINC000177433662 496060253 /nfs/dbraw/zinc/06/02/53/496060253.db2.gz BKKLSPXHXAEETG-QGZVFWFLSA-N 1 1 354.479 3.141 20 30 FGEDMO C=CCCCC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000177820912 496210262 /nfs/dbraw/zinc/21/02/62/496210262.db2.gz QKVQIXFZQRMLMC-UHFFFAOYSA-N 1 1 359.514 3.486 20 30 FGEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000577994625 505836593 /nfs/dbraw/zinc/83/65/93/505836593.db2.gz NHWUACVXESAGDR-QGZVFWFLSA-N 1 1 372.513 3.231 20 30 FGEDMO COc1cc(CN2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000184343017 496342512 /nfs/dbraw/zinc/34/25/12/496342512.db2.gz YXEVDPBNFYINAR-QGZVFWFLSA-N 1 1 365.477 3.454 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000178141100 496345830 /nfs/dbraw/zinc/34/58/30/496345830.db2.gz IHNPOEMJCKKHCV-QGZVFWFLSA-N 1 1 355.482 3.196 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000156925166 496365195 /nfs/dbraw/zinc/36/51/95/496365195.db2.gz BBZLLTCKEZFFPZ-GOSISDBHSA-N 1 1 368.412 3.102 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000156925166 496365200 /nfs/dbraw/zinc/36/52/00/496365200.db2.gz BBZLLTCKEZFFPZ-GOSISDBHSA-N 1 1 368.412 3.102 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000181438307 496396228 /nfs/dbraw/zinc/39/62/28/496396228.db2.gz UKFZDAHHBUVRCT-ZJOUEHCJSA-N 1 1 371.525 3.422 20 30 FGEDMO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000184498460 496411661 /nfs/dbraw/zinc/41/16/61/496411661.db2.gz TWTMYHYHCDXODG-MRXNPFEDSA-N 1 1 368.437 3.162 20 30 FGEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000184498460 496411667 /nfs/dbraw/zinc/41/16/67/496411667.db2.gz TWTMYHYHCDXODG-MRXNPFEDSA-N 1 1 368.437 3.162 20 30 FGEDMO Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c(C#N)c1C ZINC000157172468 496421207 /nfs/dbraw/zinc/42/12/07/496421207.db2.gz IGJAUDMVSFEURG-GOSISDBHSA-N 1 1 366.465 3.307 20 30 FGEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c(C#N)c1C ZINC000157172468 496421209 /nfs/dbraw/zinc/42/12/09/496421209.db2.gz IGJAUDMVSFEURG-GOSISDBHSA-N 1 1 366.465 3.307 20 30 FGEDMO COCC[N@@H+](C)CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000175525875 496426519 /nfs/dbraw/zinc/42/65/19/496426519.db2.gz BXPLPNBEAVCEFA-UHFFFAOYSA-N 1 1 369.490 3.017 20 30 FGEDMO C[N@@H+]1CCN(C(=O)c2cccc(SCC#N)c2)[C@@H](c2ccccc2)C1 ZINC000175542389 496434706 /nfs/dbraw/zinc/43/47/06/496434706.db2.gz DACVVVYLTIJGRO-LJQANCHMSA-N 1 1 351.475 3.431 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2cccc(SCC#N)c2)[C@@H](c2ccccc2)C1 ZINC000175542389 496434709 /nfs/dbraw/zinc/43/47/09/496434709.db2.gz DACVVVYLTIJGRO-LJQANCHMSA-N 1 1 351.475 3.431 20 30 FGEDMO C=CCOc1cccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000175668684 496492171 /nfs/dbraw/zinc/49/21/71/496492171.db2.gz XEOAZYIGHAVFNM-NRFANRHFSA-N 1 1 366.461 3.481 20 30 FGEDMO C=CCOc1cccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000175668684 496492177 /nfs/dbraw/zinc/49/21/77/496492177.db2.gz XEOAZYIGHAVFNM-NRFANRHFSA-N 1 1 366.461 3.481 20 30 FGEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000178551577 496496599 /nfs/dbraw/zinc/49/65/99/496496599.db2.gz LXTGEXQUJKQTHK-HNAYVOBHSA-N 1 1 363.465 3.294 20 30 FGEDMO C[NH+](C)[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000175715383 496512569 /nfs/dbraw/zinc/51/25/69/496512569.db2.gz QDTFEPLXSMCMKS-GOSISDBHSA-N 1 1 360.379 3.476 20 30 FGEDMO COc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)cc1 ZINC000157608944 496514384 /nfs/dbraw/zinc/51/43/84/496514384.db2.gz LVCYVJZSTHIEGE-UHFFFAOYSA-N 1 1 366.421 3.187 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)C ZINC000178616754 496517124 /nfs/dbraw/zinc/51/71/24/496517124.db2.gz FEGHFGJAQLNIGK-MRXNPFEDSA-N 1 1 372.513 3.086 20 30 FGEDMO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000569091575 505850040 /nfs/dbraw/zinc/85/00/40/505850040.db2.gz ZQCMQZLIIPKRIF-QGZVFWFLSA-N 1 1 369.387 3.319 20 30 FGEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@](C)(C(F)(F)F)O1 ZINC000569091575 505850044 /nfs/dbraw/zinc/85/00/44/505850044.db2.gz ZQCMQZLIIPKRIF-QGZVFWFLSA-N 1 1 369.387 3.319 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000157726510 496539525 /nfs/dbraw/zinc/53/95/25/496539525.db2.gz CXBMRWSUGQNTPA-QGZVFWFLSA-N 1 1 364.449 3.121 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000173260580 496616262 /nfs/dbraw/zinc/61/62/62/496616262.db2.gz QDAZHVACPWCMJL-UHFFFAOYSA-N 1 1 364.405 3.378 20 30 FGEDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000173260580 496616265 /nfs/dbraw/zinc/61/62/65/496616265.db2.gz QDAZHVACPWCMJL-UHFFFAOYSA-N 1 1 364.405 3.378 20 30 FGEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)c1 ZINC000181970122 496618115 /nfs/dbraw/zinc/61/81/15/496618115.db2.gz AZNUXBNMFOVNAU-QWHCGFSZSA-N 1 1 371.437 3.463 20 30 FGEDMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(F)cc1F ZINC000175965240 496621033 /nfs/dbraw/zinc/62/10/33/496621033.db2.gz JBEBZYKSYINMOB-UHFFFAOYSA-N 1 1 369.415 3.493 20 30 FGEDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(F)cc1F ZINC000175965240 496621036 /nfs/dbraw/zinc/62/10/36/496621036.db2.gz JBEBZYKSYINMOB-UHFFFAOYSA-N 1 1 369.415 3.493 20 30 FGEDMO CCC[N@H+]1CC[C@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000175995632 496635389 /nfs/dbraw/zinc/63/53/89/496635389.db2.gz NDVNYFPWSDROEN-MRXNPFEDSA-N 1 1 367.415 3.088 20 30 FGEDMO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(-c2cccc(F)c2)no1 ZINC000185062592 496643649 /nfs/dbraw/zinc/64/36/49/496643649.db2.gz WNROMVCDVAPQHN-CYBMUJFWSA-N 1 1 352.369 3.477 20 30 FGEDMO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185076761 496649190 /nfs/dbraw/zinc/64/91/90/496649190.db2.gz BCDVCRZCGSZFFF-PXAZEXFGSA-N 1 1 352.369 3.132 20 30 FGEDMO N#Cc1cccc(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000569129653 505859149 /nfs/dbraw/zinc/85/91/49/505859149.db2.gz ICIULVNAVOKHLS-OAQYLSRUSA-N 1 1 365.452 3.411 20 30 FGEDMO N#Cc1cccc(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000569129653 505859153 /nfs/dbraw/zinc/85/91/53/505859153.db2.gz ICIULVNAVOKHLS-OAQYLSRUSA-N 1 1 365.452 3.411 20 30 FGEDMO C[C@H](NC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000578096650 505860267 /nfs/dbraw/zinc/86/02/67/505860267.db2.gz QRBLCOQVPHOVDF-INIZCTEOSA-N 1 1 369.440 3.023 20 30 FGEDMO C[C@H](NC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000578096650 505860270 /nfs/dbraw/zinc/86/02/70/505860270.db2.gz QRBLCOQVPHOVDF-INIZCTEOSA-N 1 1 369.440 3.023 20 30 FGEDMO C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000580893384 505862909 /nfs/dbraw/zinc/86/29/09/505862909.db2.gz XIWQVMBBIIAUFZ-UHFFFAOYSA-N 1 1 374.558 3.130 20 30 FGEDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000247007409 496750127 /nfs/dbraw/zinc/75/01/27/496750127.db2.gz PJNSMYLPQZFRTG-ICSRJNTNSA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000247007409 496750134 /nfs/dbraw/zinc/75/01/34/496750134.db2.gz PJNSMYLPQZFRTG-ICSRJNTNSA-N 1 1 368.525 3.473 20 30 FGEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cccc(SCC#N)c2)C[C@H](C)O1 ZINC000247019185 496753644 /nfs/dbraw/zinc/75/36/44/496753644.db2.gz MAPZEIPVKLMLMG-SOLBZPMBSA-N 1 1 373.522 3.016 20 30 FGEDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cccc(SCC#N)c2)C[C@H](C)O1 ZINC000247019185 496753652 /nfs/dbraw/zinc/75/36/52/496753652.db2.gz MAPZEIPVKLMLMG-SOLBZPMBSA-N 1 1 373.522 3.016 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000247027267 496756639 /nfs/dbraw/zinc/75/66/39/496756639.db2.gz DQEHMVIDGOLFLR-VYDXJSESSA-N 1 1 361.511 3.255 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000247027267 496756641 /nfs/dbraw/zinc/75/66/41/496756641.db2.gz DQEHMVIDGOLFLR-VYDXJSESSA-N 1 1 361.511 3.255 20 30 FGEDMO CCC[C@@H]1CCCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000273304863 496769467 /nfs/dbraw/zinc/76/94/67/496769467.db2.gz LKOLSHRLLTWENF-GDBMZVCRSA-N 1 1 352.438 3.166 20 30 FGEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000273304863 496769470 /nfs/dbraw/zinc/76/94/70/496769470.db2.gz LKOLSHRLLTWENF-GDBMZVCRSA-N 1 1 352.438 3.166 20 30 FGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000191479998 496777492 /nfs/dbraw/zinc/77/74/92/496777492.db2.gz TXBMTOSFIGHHNU-QGZVFWFLSA-N 1 1 357.479 3.138 20 30 FGEDMO Cc1cc(-c2noc([C@@H](C)[NH2+]C[C@@H](O)c3ccc(C#N)cc3)n2)ccc1F ZINC000273357822 496781957 /nfs/dbraw/zinc/78/19/57/496781957.db2.gz ZKINFGHWLHJTIH-FZKQIMNGSA-N 1 1 366.396 3.440 20 30 FGEDMO C=CCn1c(C2CCC2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569173374 505868519 /nfs/dbraw/zinc/86/85/19/505868519.db2.gz QKZLXMVLLHRUPG-LJQANCHMSA-N 1 1 351.498 3.442 20 30 FGEDMO N#Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000578130961 505869078 /nfs/dbraw/zinc/86/90/78/505869078.db2.gz RPUNQAMDVMEASK-CQSZACIVSA-N 1 1 355.467 3.048 20 30 FGEDMO C=CCN(Cc1ccccc1F)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000277666033 496847318 /nfs/dbraw/zinc/84/73/18/496847318.db2.gz MBCCNVKENUDNQK-QGZVFWFLSA-N 1 1 363.477 3.024 20 30 FGEDMO C=CCOc1ccc(/C=C/C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000247446390 496860411 /nfs/dbraw/zinc/86/04/11/496860411.db2.gz PVVPFZVFZYQZIQ-HDCIMXRVSA-N 1 1 358.482 3.072 20 30 FGEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ncccc1OCCCC#N ZINC000188667963 496870365 /nfs/dbraw/zinc/87/03/65/496870365.db2.gz VKFMUZWKIMYLMY-INIZCTEOSA-N 1 1 359.474 3.150 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000191803776 496894820 /nfs/dbraw/zinc/89/48/20/496894820.db2.gz NZDIUYJVKMFXKF-HNNXBMFYSA-N 1 1 350.304 3.484 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1F ZINC000192057293 496979487 /nfs/dbraw/zinc/97/94/87/496979487.db2.gz NCLULAIDCVMBGX-KRWDZBQOSA-N 1 1 351.425 3.339 20 30 FGEDMO CC[N@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000216191362 496987455 /nfs/dbraw/zinc/98/74/55/496987455.db2.gz UTKCCRCMTHYNJO-YJBOKZPZSA-N 1 1 365.433 3.047 20 30 FGEDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000216191362 496987460 /nfs/dbraw/zinc/98/74/60/496987460.db2.gz UTKCCRCMTHYNJO-YJBOKZPZSA-N 1 1 365.433 3.047 20 30 FGEDMO CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000248469440 497022738 /nfs/dbraw/zinc/02/27/38/497022738.db2.gz UQHQWNSSKWJCJZ-CRAIPNDOSA-N 1 1 369.421 3.289 20 30 FGEDMO CCOC1CC([N@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000572068715 505881307 /nfs/dbraw/zinc/88/13/07/505881307.db2.gz NOQVPHBSXNXVLY-QQFBHYJXSA-N 1 1 361.511 3.376 20 30 FGEDMO CCOC1CC([N@@H+](C)CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000572068715 505881311 /nfs/dbraw/zinc/88/13/11/505881311.db2.gz 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/nfs/dbraw/zinc/62/66/93/500626693.db2.gz JHHAUTXTMLUHRF-GOSISDBHSA-N 1 1 364.449 3.121 20 30 FGEDMO CC#CC[N@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442878010 500638891 /nfs/dbraw/zinc/63/88/91/500638891.db2.gz CNCVJXSVZVEPQP-OAHLLOKOSA-N 1 1 352.272 3.462 20 30 FGEDMO CC#CC[N@@H+](C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442878010 500638893 /nfs/dbraw/zinc/63/88/93/500638893.db2.gz CNCVJXSVZVEPQP-OAHLLOKOSA-N 1 1 352.272 3.462 20 30 FGEDMO N#C[C@H](CCc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000433225217 500650714 /nfs/dbraw/zinc/65/07/14/500650714.db2.gz ALBLBSLKPHLKHZ-QFIPXVFZSA-N 1 1 361.489 3.493 20 30 FGEDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000573538756 506209074 /nfs/dbraw/zinc/20/90/74/506209074.db2.gz SUMUCBGDGUCRSL-QGZVFWFLSA-N 1 1 365.437 3.303 20 30 FGEDMO CC1(C)CCC[N@H+](CCNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433335784 500675009 /nfs/dbraw/zinc/67/50/09/500675009.db2.gz MZUIFOICGIFIJH-UHFFFAOYSA-N 1 1 366.513 3.070 20 30 FGEDMO CC1(C)CCC[N@@H+](CCNCc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433335784 500675012 /nfs/dbraw/zinc/67/50/12/500675012.db2.gz MZUIFOICGIFIJH-UHFFFAOYSA-N 1 1 366.513 3.070 20 30 FGEDMO C[C@@H]1OCC[C@]1(O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000447931903 500692173 /nfs/dbraw/zinc/69/21/73/500692173.db2.gz YJBLVCUUTXAAMM-KKSFZXQISA-N 1 1 354.425 3.239 20 30 FGEDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000447931903 500692175 /nfs/dbraw/zinc/69/21/75/500692175.db2.gz YJBLVCUUTXAAMM-KKSFZXQISA-N 1 1 354.425 3.239 20 30 FGEDMO C=CCC[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000448521371 500767319 /nfs/dbraw/zinc/76/73/19/500767319.db2.gz QNYGGODYLVTJIZ-INIZCTEOSA-N 1 1 371.403 3.182 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000448594316 500780673 /nfs/dbraw/zinc/78/06/73/500780673.db2.gz LKSFLCDBRBYRMV-UHFFFAOYSA-N 1 1 358.445 3.306 20 30 FGEDMO O=C(C[N@H+]1CCC[C@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000444190186 500815757 /nfs/dbraw/zinc/81/57/57/500815757.db2.gz XZPNMVSFOAEAJT-AEFFLSMTSA-N 1 1 364.411 3.438 20 30 FGEDMO Cc1ccc(OCC(=O)N2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000444626794 500869500 /nfs/dbraw/zinc/86/95/00/500869500.db2.gz ONUCPINTJZJWCT-UHFFFAOYSA-N 1 1 357.498 3.238 20 30 FGEDMO COc1cc(C[N@@H+](CCO)C2CCC2)ccc1OCc1cccc(C#N)c1 ZINC000439290100 500881455 /nfs/dbraw/zinc/88/14/55/500881455.db2.gz TUMLKQSVMQSFBM-UHFFFAOYSA-N 1 1 366.461 3.493 20 30 FGEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)c(Cl)c1 ZINC000444769696 500895371 /nfs/dbraw/zinc/89/53/71/500895371.db2.gz JGXKOMWHSJLUJD-LJQANCHMSA-N 1 1 369.896 3.327 20 30 FGEDMO C=CCC[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000434990363 500920335 /nfs/dbraw/zinc/92/03/35/500920335.db2.gz GUPDLOOSLHFDLL-WSTZPKSXSA-N 1 1 359.514 3.492 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2(c3cccc(C#N)c3)CC2)C1 ZINC000434998705 500921138 /nfs/dbraw/zinc/92/11/38/500921138.db2.gz GZWIMOCNLLUFJP-CALCHBBNSA-N 1 1 353.510 3.463 20 30 FGEDMO C=C(C)COc1cc(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000435053381 500928368 /nfs/dbraw/zinc/92/83/68/500928368.db2.gz PYTNQKDAUPNPGM-HDICACEKSA-N 1 1 362.514 3.191 20 30 FGEDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccsc1 ZINC000435444028 500978761 /nfs/dbraw/zinc/97/87/61/500978761.db2.gz UPQBIIXPOVWRHW-CQSZACIVSA-N 1 1 369.537 3.043 20 30 FGEDMO CCCN(CC#N)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435517256 500987628 /nfs/dbraw/zinc/98/76/28/500987628.db2.gz WRJGANWULLKVSQ-UHFFFAOYSA-N 1 1 352.482 3.170 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441044957 501079075 /nfs/dbraw/zinc/07/90/75/501079075.db2.gz XYYODHRZVJWPMU-FOIQADDNSA-N 1 1 352.434 3.270 20 30 FGEDMO COc1ccc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)cc1C#N ZINC000449785576 501087079 /nfs/dbraw/zinc/08/70/79/501087079.db2.gz HMKNFQGQQGKPKW-UHFFFAOYSA-N 1 1 355.404 3.415 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNc2ncc(C#N)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000450350728 501098279 /nfs/dbraw/zinc/09/82/79/501098279.db2.gz RWFWYUCRUTWOGT-XJKSGUPXSA-N 1 1 357.439 3.418 20 30 FGEDMO N#Cc1cc(Br)cnc1N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450448293 501123983 /nfs/dbraw/zinc/12/39/83/501123983.db2.gz ACBOLQORHLUEQE-CQSZACIVSA-N 1 1 372.270 3.242 20 30 FGEDMO Cc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596062974 506236296 /nfs/dbraw/zinc/23/62/96/506236296.db2.gz NXFUNIPGCLZVKN-UHFFFAOYSA-N 1 1 350.422 3.487 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450149881 501194445 /nfs/dbraw/zinc/19/44/45/501194445.db2.gz UOHQFKUCUORHJR-NQIIRXRSSA-N 1 1 362.477 3.322 20 30 FGEDMO CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000442090221 501196252 /nfs/dbraw/zinc/19/62/52/501196252.db2.gz YYXOZYLPKSYCEY-VXGBXAGGSA-N 1 1 370.375 3.403 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000442189797 501206511 /nfs/dbraw/zinc/20/65/11/501206511.db2.gz CNQQFGDZDDXDBM-MFKMUULPSA-N 1 1 356.348 3.061 20 30 FGEDMO CC1=CC[N@@H+](CCNC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442199979 501206877 /nfs/dbraw/zinc/20/68/77/501206877.db2.gz KPTZQMLYBKGVFE-UHFFFAOYSA-N 1 1 368.359 3.230 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCCCNc2ncc(Br)cc2C#N)C1 ZINC000450253410 501220021 /nfs/dbraw/zinc/22/00/21/501220021.db2.gz DJRWHLUZLCFPJH-ZDUSSCGKSA-N 1 1 351.292 3.062 20 30 FGEDMO CC1(C)C[N@H+](C2(CNc3ncc(C#N)cc3[N+](=O)[O-])CCCCC2)CCO1 ZINC000450325108 501234224 /nfs/dbraw/zinc/23/42/24/501234224.db2.gz BTMIUOPRHIQHKN-UHFFFAOYSA-N 1 1 373.457 3.087 20 30 FGEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000451134596 501247562 /nfs/dbraw/zinc/24/75/62/501247562.db2.gz JBOHKUJNPNCGNT-LQKXBSAESA-N 1 1 356.388 3.349 20 30 FGEDMO C[NH+](C)Cc1cnc(CNc2ccc(Br)c(C#N)c2)s1 ZINC000453055197 501260015 /nfs/dbraw/zinc/26/00/15/501260015.db2.gz YSAGTMSCRTZDEP-UHFFFAOYSA-N 1 1 351.273 3.451 20 30 FGEDMO C=CCC[C@@H](CO)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000457650698 501277638 /nfs/dbraw/zinc/27/76/38/501277638.db2.gz MOGUMPKKCRZQHK-PXNSSMCTSA-N 1 1 359.514 3.187 20 30 FGEDMO COc1cccc(-c2noc([C@H](C)[NH2+][C@H](C)CC3(C#N)CCOCC3)n2)c1 ZINC000602648269 506244174 /nfs/dbraw/zinc/24/41/74/506244174.db2.gz WNWOKCQGSGALJJ-CABCVRRESA-N 1 1 370.453 3.495 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1C ZINC000451424011 501290204 /nfs/dbraw/zinc/29/02/04/501290204.db2.gz SKCJYEJJIRZWIZ-HMXCVIKNSA-N 1 1 369.509 3.176 20 30 FGEDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)NCC(C)(C)CC#N)C[C@@H](C)O1 ZINC000457861028 501323696 /nfs/dbraw/zinc/32/36/96/501323696.db2.gz OHFIDPLJROWUBX-IAGOWNOFSA-N 1 1 372.513 3.035 20 30 FGEDMO C=CCn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000453451066 501334982 /nfs/dbraw/zinc/33/49/82/501334982.db2.gz RTIXHMXBRBANDT-MRXNPFEDSA-N 1 1 373.476 3.101 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000451702025 501355364 /nfs/dbraw/zinc/35/53/64/501355364.db2.gz IEBPUJIGRYAGNU-SBHAEUEKSA-N 1 1 369.509 3.033 20 30 FGEDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)[C@@H]2C1 ZINC000455773315 501383207 /nfs/dbraw/zinc/38/32/07/501383207.db2.gz PLWCXYMKSTXGAZ-RHSMWYFYSA-N 1 1 356.470 3.293 20 30 FGEDMO CC(C)(C)Oc1ccc(NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)cc1C#N ZINC000455783094 501385356 /nfs/dbraw/zinc/38/53/56/501385356.db2.gz YYCYCLCLTFAQGG-AWEZNQCLSA-N 1 1 367.453 3.316 20 30 FGEDMO CN(C(=O)Nc1cnc(C#N)c(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000455797359 501387910 /nfs/dbraw/zinc/38/79/10/501387910.db2.gz VXEWYMSPDLJRAS-MRXNPFEDSA-N 1 1 369.856 3.345 20 30 FGEDMO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(Cc3cccc(F)c3F)CC2)cc1 ZINC000451961921 501409081 /nfs/dbraw/zinc/40/90/81/501409081.db2.gz VDOWUOZTOZFBOD-FQEVSTJZSA-N 1 1 369.415 3.318 20 30 FGEDMO CC(C)(Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000454132470 501467383 /nfs/dbraw/zinc/46/73/83/501467383.db2.gz GBOFSHPEKXEZAB-UHFFFAOYSA-N 1 1 361.489 3.471 20 30 FGEDMO C[C@@H]1C[C@@H](CCNC(=O)N(C)CC(C)(C)C#N)C[N@H+]1Cc1ccccc1 ZINC000458588020 501481549 /nfs/dbraw/zinc/48/15/49/501481549.db2.gz KSDXUVHVXWDYDO-IEBWSBKVSA-N 1 1 356.514 3.478 20 30 FGEDMO C=CC[C@@H](C)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454524687 501569384 /nfs/dbraw/zinc/56/93/84/501569384.db2.gz MFTNDPQCWRXQLS-QUCCMNQESA-N 1 1 371.525 3.179 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000459013494 501576981 /nfs/dbraw/zinc/57/69/81/501576981.db2.gz DPCRZMYNJRXZOC-MOPGFXCFSA-N 1 1 351.535 3.120 20 30 FGEDMO N#CCCC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000592819597 506262178 /nfs/dbraw/zinc/26/21/78/506262178.db2.gz FGMMOENFPULJPZ-UHFFFAOYSA-N 1 1 359.380 3.361 20 30 FGEDMO C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000598986667 506262318 /nfs/dbraw/zinc/26/23/18/506262318.db2.gz KDQTWTNMAWGNLJ-CQSZACIVSA-N 1 1 353.388 3.181 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(c3nc4ncccc4cc3C#N)CC2)c1 ZINC000596108190 506263846 /nfs/dbraw/zinc/26/38/46/506263846.db2.gz QOXUAWJRIZWSRA-INIZCTEOSA-N 1 1 373.460 3.393 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(C)cc(C#N)c3)CC2)cs1 ZINC000456959794 501625971 /nfs/dbraw/zinc/62/59/71/501625971.db2.gz GSOBEZRZSBKOAX-UHFFFAOYSA-N 1 1 354.479 3.482 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459401222 501647058 /nfs/dbraw/zinc/64/70/58/501647058.db2.gz DBGIPTGLAOFFOK-JXFKEZNVSA-N 1 1 364.449 3.467 20 30 FGEDMO C=CCCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000454885914 501649607 /nfs/dbraw/zinc/64/96/07/501649607.db2.gz CFLNQWPQLKIDHV-FQEVSTJZSA-N 1 1 371.525 3.181 20 30 FGEDMO Cc1nsc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C#N ZINC000459553188 501675389 /nfs/dbraw/zinc/67/53/89/501675389.db2.gz XABOZSPLCQASQG-HIFRSBDPSA-N 1 1 355.467 3.280 20 30 FGEDMO Cc1nsc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000459577552 501680225 /nfs/dbraw/zinc/68/02/25/501680225.db2.gz GWEPEWKXBIZVNK-CZUORRHYSA-N 1 1 369.494 3.498 20 30 FGEDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1OCCCC#N ZINC000459682263 501698322 /nfs/dbraw/zinc/69/83/22/501698322.db2.gz SKLSQBQOALJXIW-QZTJIDSGSA-N 1 1 356.466 3.379 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000455240534 501714349 /nfs/dbraw/zinc/71/43/49/501714349.db2.gz FGIDXQWXJUJGGW-CALCHBBNSA-N 1 1 359.514 3.457 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000455240534 501714351 /nfs/dbraw/zinc/71/43/51/501714351.db2.gz FGIDXQWXJUJGGW-CALCHBBNSA-N 1 1 359.514 3.457 20 30 FGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459813967 501717492 /nfs/dbraw/zinc/71/74/92/501717492.db2.gz WYRDPNRAJFHWGF-PCCBWWKXSA-N 1 1 359.510 3.028 20 30 FGEDMO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H]1CCOC1 ZINC000463452541 501727802 /nfs/dbraw/zinc/72/78/02/501727802.db2.gz CAMUGHITVSPJEX-GOSISDBHSA-N 1 1 366.465 3.015 20 30 FGEDMO 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20 30 FGEDMO COc1ccccc1[C@H]1C[C@@H](C)CC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000560521369 505112673 /nfs/dbraw/zinc/11/26/73/505112673.db2.gz JWJRWQKARUHPAZ-RRMPHLOHSA-N 1 1 355.482 3.277 20 30 FGEDMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000557481010 505146018 /nfs/dbraw/zinc/14/60/18/505146018.db2.gz WSMNHYOFBXFTCS-RTBURBONSA-N 1 1 370.403 3.185 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cnccc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000557481010 505146023 /nfs/dbraw/zinc/14/60/23/505146023.db2.gz WSMNHYOFBXFTCS-RTBURBONSA-N 1 1 370.403 3.185 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000557484685 505147978 /nfs/dbraw/zinc/14/79/78/505147978.db2.gz TVGQFFYNTPTIFU-UHFFFAOYSA-N 1 1 354.385 3.318 20 30 FGEDMO C=C(C)[C@H](CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)OCC ZINC000557647325 505192498 /nfs/dbraw/zinc/19/24/98/505192498.db2.gz ZDMMCECGEHWPNI-UNMCSNQZSA-N 1 1 356.510 3.482 20 30 FGEDMO N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000557673849 505199204 /nfs/dbraw/zinc/19/92/04/505199204.db2.gz KWXAVVZNEBHSPP-ZDUSSCGKSA-N 1 1 360.383 3.374 20 30 FGEDMO Cn1cc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000566670392 505238862 /nfs/dbraw/zinc/23/88/62/505238862.db2.gz WTZGSFWQLMJYKX-UHFFFAOYSA-N 1 1 371.488 3.277 20 30 FGEDMO Cn1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000566670392 505238869 /nfs/dbraw/zinc/23/88/69/505238869.db2.gz WTZGSFWQLMJYKX-UHFFFAOYSA-N 1 1 371.488 3.277 20 30 FGEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000554745475 505254855 /nfs/dbraw/zinc/25/48/55/505254855.db2.gz JSESTEQZBQCGIS-SFHVURJKSA-N 1 1 365.477 3.226 20 30 FGEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000554745475 505254858 /nfs/dbraw/zinc/25/48/58/505254858.db2.gz JSESTEQZBQCGIS-SFHVURJKSA-N 1 1 365.477 3.226 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000551691064 505283458 /nfs/dbraw/zinc/28/34/58/505283458.db2.gz PHHQWVPGTYHLAY-QFIPXVFZSA-N 1 1 369.509 3.031 20 30 FGEDMO C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000554890821 505291930 /nfs/dbraw/zinc/29/19/30/505291930.db2.gz YBHCXZMKQITSMF-UWJYYQICSA-N 1 1 366.461 3.109 20 30 FGEDMO C[C@H](O)C[C@H]1COCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000554890821 505291932 /nfs/dbraw/zinc/29/19/32/505291932.db2.gz YBHCXZMKQITSMF-UWJYYQICSA-N 1 1 366.461 3.109 20 30 FGEDMO CN(c1cc(N)c([N+](=O)[O-])c(C#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000561264697 505298242 /nfs/dbraw/zinc/29/82/42/505298242.db2.gz XTJDTXGVIMTZJV-QGZVFWFLSA-N 1 1 365.437 3.149 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000554960534 505312938 /nfs/dbraw/zinc/31/29/38/505312938.db2.gz OFIXRECKBIEVSE-NNWRFLSQSA-N 1 1 367.537 3.029 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000551875529 505330548 /nfs/dbraw/zinc/33/05/48/505330548.db2.gz YLXRLERLVSYFKL-RTWAWAEBSA-N 1 1 374.488 3.388 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000558378641 505371880 /nfs/dbraw/zinc/37/18/80/505371880.db2.gz CKLBGSWPQOIISI-SFHVURJKSA-N 1 1 373.501 3.448 20 30 FGEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)cc1 ZINC000558605652 505437718 /nfs/dbraw/zinc/43/77/18/505437718.db2.gz RMMGABSEIPUHHM-LQBOVUBWSA-N 1 1 371.525 3.393 20 30 FGEDMO N#CCc1ccc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000567751872 505556388 /nfs/dbraw/zinc/55/63/88/505556388.db2.gz QDUIKQRANAJGNF-NRFANRHFSA-N 1 1 362.477 3.216 20 30 FGEDMO N#Cc1cnn2cc(C[NH+]3CCC(Oc4ccccc4Cl)CC3)cnc12 ZINC000564989583 505565976 /nfs/dbraw/zinc/56/59/76/505565976.db2.gz RTEIBLNUUPUDOX-UHFFFAOYSA-N 1 1 367.840 3.298 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582729181 506386676 /nfs/dbraw/zinc/38/66/76/506386676.db2.gz CKLXUPTWLBDONE-JXFKEZNVSA-N 1 1 364.449 3.467 20 30 FGEDMO COc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)CC2(C#N)CCOCC2)c1 ZINC000599271782 506391513 /nfs/dbraw/zinc/39/15/13/506391513.db2.gz MFYSFAONKZHUKE-IBGZPJMESA-N 1 1 360.498 3.225 20 30 FGEDMO C[C@@H]1SCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000599301341 506403412 /nfs/dbraw/zinc/40/34/12/506403412.db2.gz CYAYEQUPKFRIOB-WDSOQIARSA-N 1 1 360.523 3.236 20 30 FGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CCOCC1 ZINC000599313137 506409754 /nfs/dbraw/zinc/40/97/54/506409754.db2.gz FWKHMBQHUZFGBD-DLBZAZTESA-N 1 1 369.465 3.079 20 30 FGEDMO Cc1ccc([C@H]([NH2+]Cc2ccc(C)c(C#N)c2)[C@H](C)S(C)(=O)=O)cc1 ZINC000599400774 506442900 /nfs/dbraw/zinc/44/29/00/506442900.db2.gz XUGUICCMTBFXIZ-OXJNMPFZSA-N 1 1 356.491 3.439 20 30 FGEDMO C[C@@]1(C#N)CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000612115408 506444030 /nfs/dbraw/zinc/44/40/30/506444030.db2.gz ILIPDVKHKCAUQD-FPOVZHCZSA-N 1 1 354.498 3.234 20 30 FGEDMO CC(C)C[N@@H+](C)CCCNC(=O)c1occc1COc1cccc(C#N)c1 ZINC000593205325 506464178 /nfs/dbraw/zinc/46/41/78/506464178.db2.gz WUSHEIVKTFNRIL-UHFFFAOYSA-N 1 1 369.465 3.438 20 30 FGEDMO COc1ccc2ncc(C#N)c(NC[C@H]3CCC[N@@H+](CC4CC4)C3)c2c1 ZINC000596569645 506466177 /nfs/dbraw/zinc/46/61/77/506466177.db2.gz ARSLJFQTVOIVDY-MRXNPFEDSA-N 1 1 350.466 3.071 20 30 FGEDMO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599470393 506466288 /nfs/dbraw/zinc/46/62/88/506466288.db2.gz QFKDSAWVODQGOO-LRDDRELGSA-N 1 1 362.271 3.328 20 30 FGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000599470393 506466290 /nfs/dbraw/zinc/46/62/90/506466290.db2.gz QFKDSAWVODQGOO-LRDDRELGSA-N 1 1 362.271 3.328 20 30 FGEDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)cc1 ZINC000612173437 506473067 /nfs/dbraw/zinc/47/30/67/506473067.db2.gz CNJUGRCPWQEZMR-RTWAWAEBSA-N 1 1 350.462 3.290 20 30 FGEDMO C[C@@H]1C[C@H](CCNC(=O)c2cc(O)cc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000589195850 506478696 /nfs/dbraw/zinc/47/86/96/506478696.db2.gz PLDCYYGDZRMMDS-AEFFLSMTSA-N 1 1 363.461 3.294 20 30 FGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(O)cc(C#N)c1 ZINC000589205324 506483148 /nfs/dbraw/zinc/48/31/48/506483148.db2.gz SDBUDIUMUDWWJW-FQEVSTJZSA-N 1 1 351.450 3.150 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)o2)c1 ZINC000582961270 506511700 /nfs/dbraw/zinc/51/17/00/506511700.db2.gz ZOSARQPYNARDPC-IBGZPJMESA-N 1 1 364.449 3.389 20 30 FGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599591553 506517033 /nfs/dbraw/zinc/51/70/33/506517033.db2.gz VOTMTFZDKOSOGH-YJBOKZPZSA-N 1 1 371.481 3.187 20 30 FGEDMO C[C@@H](c1ccc(NC(=O)N2CCC[C@@](C)(C#N)C2)cc1)[NH+]1CCOCC1 ZINC000612306866 506520963 /nfs/dbraw/zinc/52/09/63/506520963.db2.gz HSLGNSFSOVDKDF-JXFKEZNVSA-N 1 1 356.470 3.237 20 30 FGEDMO C[N@@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@H](Cc2ccccc2)C1 ZINC000593319803 506536610 /nfs/dbraw/zinc/53/66/10/506536610.db2.gz PNMWBGCNBNFHLC-QGZVFWFLSA-N 1 1 353.853 3.211 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2cc(C#N)ccc2Cl)[C@H](Cc2ccccc2)C1 ZINC000593319803 506536612 /nfs/dbraw/zinc/53/66/12/506536612.db2.gz PNMWBGCNBNFHLC-QGZVFWFLSA-N 1 1 353.853 3.211 20 30 FGEDMO N#Cc1cccc(OCC[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000603836663 506628889 /nfs/dbraw/zinc/62/88/89/506628889.db2.gz XSGSUUMYPCDAFM-UHFFFAOYSA-N 1 1 355.869 3.408 20 30 FGEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000603844595 506631573 /nfs/dbraw/zinc/63/15/73/506631573.db2.gz RKXSKMKNOSFBMK-SFHVURJKSA-N 1 1 374.868 3.352 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC2(C#N)CCCCC2)C1 ZINC000596861945 506641517 /nfs/dbraw/zinc/64/15/17/506641517.db2.gz SKODSXRXSBRKLR-IBGZPJMESA-N 1 1 354.498 3.376 20 30 FGEDMO COc1ccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2)cc1 ZINC000603901492 506653450 /nfs/dbraw/zinc/65/34/50/506653450.db2.gz ULLQLYOIGOKRGX-FGZHOGPDSA-N 1 1 365.477 3.429 20 30 FGEDMO CCN(C(=O)CC1(C#N)CCOCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000596886443 506657463 /nfs/dbraw/zinc/65/74/63/506657463.db2.gz IXJRTSMMBZZXNJ-QUCCMNQESA-N 1 1 369.509 3.381 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596912350 506672876 /nfs/dbraw/zinc/67/28/76/506672876.db2.gz FPJLCBMRPISZMT-PKOBYXMFSA-N 1 1 354.498 3.090 20 30 FGEDMO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596912348 506672940 /nfs/dbraw/zinc/67/29/40/506672940.db2.gz FPJLCBMRPISZMT-IEBWSBKVSA-N 1 1 354.498 3.090 20 30 FGEDMO Cc1nn(-c2ccccc2)c(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1C#N ZINC000590014809 506707110 /nfs/dbraw/zinc/70/71/10/506707110.db2.gz RKSCITJVIJHZSH-KRWDZBQOSA-N 1 1 363.509 3.359 20 30 FGEDMO CC[N@@H+](CCCNS(=O)(=O)CC1(C#N)CCCC1)C1CCCCC1 ZINC000593627507 506708182 /nfs/dbraw/zinc/70/81/82/506708182.db2.gz UZORPQSMSDOOMK-UHFFFAOYSA-N 1 1 355.548 3.034 20 30 FGEDMO Cc1nc(CN2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)cs1 ZINC000596983277 506712046 /nfs/dbraw/zinc/71/20/46/506712046.db2.gz TZXAVTVXMSBMQX-UHFFFAOYSA-N 1 1 352.507 3.325 20 30 FGEDMO N#Cc1ccccc1N1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000596983403 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CC[N@H+]1CC[C@@H](N(C)Cc2c(C#N)c(C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000611347330 507632481 /nfs/dbraw/zinc/63/24/81/507632481.db2.gz AABLOXCEBSMNHP-OXJNMPFZSA-N 1 1 351.498 3.215 20 30 FGEDMO C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H]1CCO ZINC000595698612 507633096 /nfs/dbraw/zinc/63/30/96/507633096.db2.gz NGVCOSQVMVNCTQ-MAUKXSAKSA-N 1 1 363.889 3.070 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](c4ccccc4)[C@H](CO)C3)o2)cc1 ZINC000595748338 507662346 /nfs/dbraw/zinc/66/23/46/507662346.db2.gz RLNDFAYAZBXNBI-VQTJNVASSA-N 1 1 374.444 3.206 20 30 FGEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000595747516 507663067 /nfs/dbraw/zinc/66/30/67/507663067.db2.gz LBGCZSWJCKUORW-RBBKRZOGSA-N 1 1 350.462 3.425 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC2=CCCOC2)c1 ZINC000595751890 507667015 /nfs/dbraw/zinc/66/70/15/507667015.db2.gz JWMJRUWWVLRERE-SFHVURJKSA-N 1 1 355.482 3.217 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC2=CCCOC2)c1 ZINC000595751890 507667021 /nfs/dbraw/zinc/66/70/21/507667021.db2.gz JWMJRUWWVLRERE-SFHVURJKSA-N 1 1 355.482 3.217 20 30 FGEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000586776201 507669185 /nfs/dbraw/zinc/66/91/85/507669185.db2.gz YUMJFEYWRBKEEO-UQASEVPWSA-N 1 1 355.482 3.277 20 30 FGEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000586776201 507669191 /nfs/dbraw/zinc/66/91/91/507669191.db2.gz YUMJFEYWRBKEEO-UQASEVPWSA-N 1 1 355.482 3.277 20 30 FGEDMO N#CC1(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC000611431558 507679446 /nfs/dbraw/zinc/67/94/46/507679446.db2.gz GGMSDORJMCSOHX-UHFFFAOYSA-N 1 1 362.271 3.403 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]([C@H]4CCCCO4)C3)o2)c1 ZINC000595788302 507684709 /nfs/dbraw/zinc/68/47/09/507684709.db2.gz IOPTWCHNBMFLCC-ZWKOTPCHSA-N 1 1 352.438 3.389 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)o2)c1 ZINC000595788301 507686021 /nfs/dbraw/zinc/68/60/21/507686021.db2.gz IOPTWCHNBMFLCC-ROUUACIJSA-N 1 1 352.438 3.389 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1Cl ZINC000595791564 507688945 /nfs/dbraw/zinc/68/89/45/507688945.db2.gz VSBYFNQVBUGSPP-QAPCUYQASA-N 1 1 361.873 3.431 20 30 FGEDMO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1[N+](=O)[O-] ZINC000592522933 507692925 /nfs/dbraw/zinc/69/29/25/507692925.db2.gz IKMMGVARHFZEMI-FQEVSTJZSA-N 1 1 366.421 3.213 20 30 FGEDMO CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1[N+](=O)[O-] ZINC000592522933 507692930 /nfs/dbraw/zinc/69/29/30/507692930.db2.gz IKMMGVARHFZEMI-FQEVSTJZSA-N 1 1 366.421 3.213 20 30 FGEDMO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000592523783 507694639 /nfs/dbraw/zinc/69/46/39/507694639.db2.gz QCFBCGSDJBCTHR-UHFFFAOYSA-N 1 1 354.454 3.150 20 30 FGEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000595815869 507698515 /nfs/dbraw/zinc/69/85/15/507698515.db2.gz UNAXCNDWUBGJML-CQSZACIVSA-N 1 1 373.522 3.471 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2ccon2)CC1 ZINC000595829637 507705352 /nfs/dbraw/zinc/70/53/52/507705352.db2.gz XGZRQKOWAULBJI-HNNXBMFYSA-N 1 1 370.428 3.328 20 30 FGEDMO CC(C)(C)[C@@]1(CN2CCN(CC#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000602453568 507714796 /nfs/dbraw/zinc/71/47/96/507714796.db2.gz HYULWPZFQUTDJK-JOCHJYFZSA-N 1 1 354.542 3.066 20 30 FGEDMO CCC[N@@H+](C)CC(C)(C)NCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000595872079 507720892 /nfs/dbraw/zinc/72/08/92/507720892.db2.gz BFEHLUOEQYFJOA-UHFFFAOYSA-N 1 1 358.530 3.260 20 30 FGEDMO CCCN(C)CC(C)(C)[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000595872079 507720895 /nfs/dbraw/zinc/72/08/95/507720895.db2.gz BFEHLUOEQYFJOA-UHFFFAOYSA-N 1 1 358.530 3.260 20 30 FGEDMO CO[C@H](C)c1nc(CN2CCC[N@@H+](C[C@H](C)CCC#N)CC2)cs1 ZINC000602487120 507724515 /nfs/dbraw/zinc/72/45/15/507724515.db2.gz USHSSDCCRSZAMY-HZPDHXFCSA-N 1 1 350.532 3.298 20 30 FGEDMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@H]1CCn2ccnc2C1 ZINC000330277785 568088625 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/nfs/dbraw/zinc/71/88/68/705718868.db2.gz GKZDTARSMWWBCT-UHFFFAOYSA-N 1 1 361.917 3.162 20 30 FGEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000189270505 712790743 /nfs/dbraw/zinc/79/07/43/712790743.db2.gz GOZVWXXOPMXACW-MRXNPFEDSA-N 1 1 352.400 3.151 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000524633164 714293105 /nfs/dbraw/zinc/29/31/05/714293105.db2.gz GAADYOCXFPQQBG-MAUKXSAKSA-N 1 1 362.905 3.496 20 30 FGEDMO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000524633164 714293108 /nfs/dbraw/zinc/29/31/08/714293108.db2.gz GAADYOCXFPQQBG-MAUKXSAKSA-N 1 1 362.905 3.496 20 30 FGEDMO COc1cc(C[NH2+]CC2(C#N)CC2)cc(Br)c1OC(F)F ZINC000619535284 714849697 /nfs/dbraw/zinc/84/96/97/714849697.db2.gz LUCQIUILYVBZGL-UHFFFAOYSA-N 1 1 361.186 3.452 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619756325 714867340 /nfs/dbraw/zinc/86/73/40/714867340.db2.gz LDCPAIFRKRIETH-GASCZTMLSA-N 1 1 362.905 3.379 20 30 FGEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626039758 715833556 /nfs/dbraw/zinc/83/35/56/715833556.db2.gz NIRDOMWNUWKIHR-YDHLFZDLSA-N 1 1 351.288 3.318 20 30 FGEDMO C[C@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCCC[C@H]1C ZINC000790298858 723124596 /nfs/dbraw/zinc/12/45/96/723124596.db2.gz FKKNRNCDTFZNIJ-HUUCEWRRSA-N 1 1 352.400 3.436 20 30 FGEDMO Fc1ccc(C(F)(F)F)cc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000631210847 716586600 /nfs/dbraw/zinc/58/66/00/716586600.db2.gz LITPECGBGPAWLC-LLVKDONJSA-N 1 1 356.245 3.329 20 30 FGEDMO N#Cc1nc(Cl)cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629816 719064319 /nfs/dbraw/zinc/06/43/19/719064319.db2.gz ZGUXFIRWKOGTRH-RDJZCZTQSA-N 1 1 353.857 3.102 20 30 FGEDMO Cc1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C=NO)c1 ZINC001164628778 719090748 /nfs/dbraw/zinc/09/07/48/719090748.db2.gz NVSGDDKMXCMXEK-ICSRJNTNSA-N 1 1 350.466 3.299 20 30 FGEDMO C[C@@H]1CN(c2cnc(Cl)nc2Oc2ccccc2C#N)[C@@H](C)C[N@H+]1C ZINC001164632064 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366.440 3.051 20 30 FGEDMO Cc1ccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C#N ZINC001165026434 721810685 /nfs/dbraw/zinc/81/06/85/721810685.db2.gz QFTBSBQRIURVAG-FBBABVLZSA-N 1 1 361.493 3.394 20 30 FGEDMO C[C@]1(C#N)CCC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000784015941 724812829 /nfs/dbraw/zinc/81/28/29/724812829.db2.gz ZFOGPSXNHIDPEL-QGZVFWFLSA-N 1 1 360.255 3.347 20 30 FGEDMO N#Cc1cc(Cl)c(Cl)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056350 722013061 /nfs/dbraw/zinc/01/30/61/722013061.db2.gz TXUJQWLGTUMPCV-UHFFFAOYSA-N 1 1 362.264 3.020 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000727170679 722442046 /nfs/dbraw/zinc/44/20/46/722442046.db2.gz YPDUVGQOEIVLEO-HNNXBMFYSA-N 1 1 358.511 3.249 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)Oc1ccccc1C(F)(F)F ZINC000729812425 722462784 /nfs/dbraw/zinc/46/27/84/722462784.db2.gz VGMJTKDJHGQPJI-UONOGXRCSA-N 1 1 355.356 3.114 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=S)Nc1ccccc1C#N ZINC000731951468 722479966 /nfs/dbraw/zinc/47/99/66/722479966.db2.gz ZNZXBWKSJYIUFO-MRXNPFEDSA-N 1 1 350.491 3.461 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=S)Nc1ccccc1C#N ZINC000731951468 722479967 /nfs/dbraw/zinc/47/99/67/722479967.db2.gz ZNZXBWKSJYIUFO-MRXNPFEDSA-N 1 1 350.491 3.461 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NNC(=S)Nc1cccnc1 ZINC000734363176 722506455 /nfs/dbraw/zinc/50/64/55/722506455.db2.gz WGAPGIIHSQKAFR-OAHLLOKOSA-N 1 1 353.495 3.266 20 30 FGEDMO CCCCCCCCCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000734655185 722509101 /nfs/dbraw/zinc/50/91/01/722509101.db2.gz KVECZOIJNLYHGJ-IBGZPJMESA-N 1 1 352.567 3.158 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)Cn1cc(I)cn1 ZINC000738030103 722527870 /nfs/dbraw/zinc/52/78/70/722527870.db2.gz NZSUKQONEDKKKO-UHFFFAOYSA-N 1 1 367.234 3.176 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)Cn1cc(I)cn1 ZINC000738030103 722527871 /nfs/dbraw/zinc/52/78/71/722527871.db2.gz NZSUKQONEDKKKO-UHFFFAOYSA-N 1 1 367.234 3.176 20 30 FGEDMO C#CCSCCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000740032024 722534860 /nfs/dbraw/zinc/53/48/60/722534860.db2.gz FDLXHLODNVONSB-QGZVFWFLSA-N 1 1 359.539 3.227 20 30 FGEDMO CC[N@H+]1CCC(=NNC(=S)NCCc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000741454603 722546034 /nfs/dbraw/zinc/54/60/34/722546034.db2.gz GNDRZVTWAJGNMT-ZDUSSCGKSA-N 1 1 352.935 3.064 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CNC(=S)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000745695770 722589620 /nfs/dbraw/zinc/58/96/20/722589620.db2.gz UKXMIENKNDVKLM-IBGZPJMESA-N 1 1 358.555 3.375 20 30 FGEDMO C[C@H](C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[NH+]1CCSCC1 ZINC000750887104 722784576 /nfs/dbraw/zinc/78/45/76/722784576.db2.gz MCEDMFWZXYHHNL-CQSZACIVSA-N 1 1 371.531 3.340 20 30 FGEDMO C#CC[N@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)C1CCCC1 ZINC000756910838 722971816 /nfs/dbraw/zinc/97/18/16/722971816.db2.gz DOIBOEHPDREUMP-UHFFFAOYSA-N 1 1 354.475 3.226 20 30 FGEDMO C[NH+]1CCN(N=Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000794444849 723523279 /nfs/dbraw/zinc/52/32/79/723523279.db2.gz GIQYNJAKKPPIAN-UHFFFAOYSA-N 1 1 350.182 3.049 20 30 FGEDMO CCC[N@H+](Cn1nc(CC#N)n(C)c1=S)[C@@H]1CCc2ccccc2C1 ZINC000794622818 723536139 /nfs/dbraw/zinc/53/61/39/723536139.db2.gz HBTBBUBKNVCGHT-QGZVFWFLSA-N 1 1 355.511 3.244 20 30 FGEDMO CCC[N@@H+](Cn1nc(CC#N)n(C)c1=S)[C@@H]1CCc2ccccc2C1 ZINC000794622818 723536142 /nfs/dbraw/zinc/53/61/42/723536142.db2.gz HBTBBUBKNVCGHT-QGZVFWFLSA-N 1 1 355.511 3.244 20 30 FGEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000765833535 723543478 /nfs/dbraw/zinc/54/34/78/723543478.db2.gz MHSUVLJMOUFWIM-MRXNPFEDSA-N 1 1 363.933 3.478 20 30 FGEDMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000796593051 723645483 /nfs/dbraw/zinc/64/54/83/723645483.db2.gz BTASEVQAQOKYHY-CALCHBBNSA-N 1 1 360.885 3.490 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000769021051 723674641 /nfs/dbraw/zinc/67/46/41/723674641.db2.gz MBCIOJBKNLFAOT-UHFFFAOYSA-N 1 1 369.690 3.064 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000769896871 723699458 /nfs/dbraw/zinc/69/94/58/723699458.db2.gz GXOKHCPAKIFSMP-IAQYHMDHSA-N 1 1 362.779 3.378 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000769896871 723699459 /nfs/dbraw/zinc/69/94/59/723699459.db2.gz GXOKHCPAKIFSMP-IAQYHMDHSA-N 1 1 362.779 3.378 20 30 FGEDMO CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000771772465 723742090 /nfs/dbraw/zinc/74/20/90/723742090.db2.gz QMIAEKMPSRXEKK-LJQANCHMSA-N 1 1 352.567 3.157 20 30 FGEDMO CCCCCCCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771772465 723742092 /nfs/dbraw/zinc/74/20/92/723742092.db2.gz QMIAEKMPSRXEKK-LJQANCHMSA-N 1 1 352.567 3.157 20 30 FGEDMO Cc1oc(C#N)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000797848031 723872672 /nfs/dbraw/zinc/87/26/72/723872672.db2.gz BLVCULSAWIZKOA-UHFFFAOYSA-N 1 1 358.829 3.117 20 30 FGEDMO C#CC[NH+]1CCC(c2nc(Cc3cc(Br)cs3)no2)CC1 ZINC000798007207 723898188 /nfs/dbraw/zinc/89/81/88/723898188.db2.gz UQHYZKLZHQUIAE-UHFFFAOYSA-N 1 1 366.284 3.297 20 30 FGEDMO C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2Br)C[N@H+]1C1CC1 ZINC000777451473 724227489 /nfs/dbraw/zinc/22/74/89/724227489.db2.gz MUDRXTKARXIVTP-VIFPVBQESA-N 1 1 353.220 3.382 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000801931253 724347235 /nfs/dbraw/zinc/34/72/35/724347235.db2.gz VNJIIRGHDZBATR-IKGGRYGDSA-N 1 1 351.491 3.169 20 30 FGEDMO C#CCCCS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000804991678 725043162 /nfs/dbraw/zinc/04/31/62/725043162.db2.gz HVZBSWFACGSMKB-SFHVURJKSA-N 1 1 368.930 3.027 20 30 FGEDMO C#CCCCS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000804991678 725043164 /nfs/dbraw/zinc/04/31/64/725043164.db2.gz HVZBSWFACGSMKB-SFHVURJKSA-N 1 1 368.930 3.027 20 30 FGEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000789330163 725122756 /nfs/dbraw/zinc/12/27/56/725122756.db2.gz YUIKNZHLAZPVPX-KRWDZBQOSA-N 1 1 352.265 3.379 20 30 FGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)c2ccc(Cl)cc2Cl)n1 ZINC000789330163 725122757 /nfs/dbraw/zinc/12/27/57/725122757.db2.gz YUIKNZHLAZPVPX-KRWDZBQOSA-N 1 1 352.265 3.379 20 30 FGEDMO C#CCN(C)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000812002448 725387047 /nfs/dbraw/zinc/38/70/47/725387047.db2.gz NNMWQZKXVKZNFS-GOSISDBHSA-N 1 1 353.491 3.122 20 30 FGEDMO C#CCN(C)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000812002448 725387048 /nfs/dbraw/zinc/38/70/48/725387048.db2.gz NNMWQZKXVKZNFS-GOSISDBHSA-N 1 1 353.491 3.122 20 30 FGEDMO C#CCN(C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000812189967 725390298 /nfs/dbraw/zinc/39/02/98/725390298.db2.gz NNDPWABTCDQWND-IRXDYDNUSA-N 1 1 351.853 3.278 20 30 FGEDMO C#CCN(C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000812189967 725390300 /nfs/dbraw/zinc/39/03/00/725390300.db2.gz NNDPWABTCDQWND-IRXDYDNUSA-N 1 1 351.853 3.278 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(Cl)c(OCC(C)C)c(OC)c1 ZINC000818611761 727316818 /nfs/dbraw/zinc/31/68/18/727316818.db2.gz BHGDHFSYFDZNFP-UHFFFAOYSA-N 1 1 366.889 3.068 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823650200 729295869 /nfs/dbraw/zinc/29/58/69/729295869.db2.gz SPPUXUKFFJRLKV-HZPDHXFCSA-N 1 1 351.491 3.027 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C2/CCc3cc(Br)ccc3C2=O)n1C ZINC000840719544 730165623 /nfs/dbraw/zinc/16/56/23/730165623.db2.gz KRBSACHQEMVKPB-XFXZXTDPSA-N 1 1 360.255 3.461 20 30 FGEDMO C#C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000842409624 730496683 /nfs/dbraw/zinc/49/66/83/730496683.db2.gz PIRGMHPGEGWNLA-GJZGRUSLSA-N 1 1 357.397 3.360 20 30 FGEDMO C#C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)c1cccc(C(F)(F)F)c1 ZINC000842409624 730496688 /nfs/dbraw/zinc/49/66/88/730496688.db2.gz PIRGMHPGEGWNLA-GJZGRUSLSA-N 1 1 357.397 3.360 20 30 FGEDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@@H]1C ZINC000844021003 730679462 /nfs/dbraw/zinc/67/94/62/730679462.db2.gz QFXCETQZHCCUNQ-TXEJJXNPSA-N 1 1 370.280 3.046 20 30 FGEDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@@H]1C ZINC000844021003 730679465 /nfs/dbraw/zinc/67/94/65/730679465.db2.gz QFXCETQZHCCUNQ-TXEJJXNPSA-N 1 1 370.280 3.046 20 30 FGEDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCC#N)C1 ZINC000844461552 730722132 /nfs/dbraw/zinc/72/21/32/730722132.db2.gz KLVIWMQCAWDSQO-IXDOHACOSA-N 1 1 351.491 3.217 20 30 FGEDMO C[N@H+](Cc1c(C2CC2)nc2sccn12)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006243 730917725 /nfs/dbraw/zinc/91/77/25/730917725.db2.gz HNECITUUENQFAH-QGZVFWFLSA-N 1 1 352.463 3.310 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846005992 730917730 /nfs/dbraw/zinc/91/77/30/730917730.db2.gz FIRILHKXGIFJSO-LJQANCHMSA-N 1 1 354.837 3.389 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846005992 730917732 /nfs/dbraw/zinc/91/77/32/730917732.db2.gz FIRILHKXGIFJSO-LJQANCHMSA-N 1 1 354.837 3.389 20 30 FGEDMO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000846922936 730995184 /nfs/dbraw/zinc/99/51/84/730995184.db2.gz JVBZECNDLKKJDQ-MGPUTAFESA-N 1 1 355.869 3.456 20 30 FGEDMO C#C[C@H]1CCC[N@@H+](CN2C[C@@H](c3cccc(C(F)(F)F)c3)CC2=O)C1 ZINC000848492777 731170455 /nfs/dbraw/zinc/17/04/55/731170455.db2.gz BTBWSHDWVVRKNM-HOCLYGCPSA-N 1 1 350.384 3.324 20 30 FGEDMO C#C[C@H]1CCC[N@H+](CN2C[C@@H](c3cccc(C(F)(F)F)c3)CC2=O)C1 ZINC000848492777 731170456 /nfs/dbraw/zinc/17/04/56/731170456.db2.gz BTBWSHDWVVRKNM-HOCLYGCPSA-N 1 1 350.384 3.324 20 30 FGEDMO C[N@H+](Cc1cccc(F)c1OC(F)F)C[C@H](O)c1cccc(C#N)c1 ZINC000852211056 731556253 /nfs/dbraw/zinc/55/62/53/731556253.db2.gz NSTHTELQIAJYPR-INIZCTEOSA-N 1 1 350.340 3.464 20 30 FGEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cn(C)nc2Br)c1 ZINC000858137010 732184589 /nfs/dbraw/zinc/18/45/89/732184589.db2.gz CVINHCXZBITTFM-CQSZACIVSA-N 1 1 363.259 3.153 20 30 FGEDMO C=CC[N@@H+](C[C@@H](C)CSc1ccccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000859188832 732287759 /nfs/dbraw/zinc/28/77/59/732287759.db2.gz DXEGVNWSDLKBHR-WBVHZDCISA-N 1 1 353.553 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N#CCN1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000092936208 494790652 /nfs/dbraw/zinc/79/06/52/494790652.db2.gz ALFQIOFBTFJRLR-UHFFFAOYSA-N 1 1 371.488 3.240 20 30 FGEDMO N#Cc1ccc2nc(NC[C@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)ccc2c1 ZINC000092940177 494791769 /nfs/dbraw/zinc/79/17/69/494791769.db2.gz XDIUJURMWLEKKM-UXHICEINSA-N 1 1 358.445 3.154 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000577510588 505741997 /nfs/dbraw/zinc/74/19/97/505741997.db2.gz ZWYRTKRXQNLVPE-INIZCTEOSA-N 1 1 352.463 3.125 20 30 FGEDMO N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000577510588 505741999 /nfs/dbraw/zinc/74/19/99/505741999.db2.gz ZWYRTKRXQNLVPE-INIZCTEOSA-N 1 1 352.463 3.125 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000026101732 494800392 /nfs/dbraw/zinc/80/03/92/494800392.db2.gz AIWBVPVCTUCHOX-GMAHTHKFSA-N 1 1 359.473 3.443 20 30 FGEDMO C[C@@](C#N)(NC(=O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 ZINC000026101732 494800398 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COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000157398270 496470964 /nfs/dbraw/zinc/47/09/64/496470964.db2.gz GCGBOVYGXSGKKO-UHFFFAOYSA-N 1 1 372.513 3.355 20 30 FGEDMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000187533608 496480267 /nfs/dbraw/zinc/48/02/67/496480267.db2.gz GQMWFMYLSUPSDR-UGKGYDQZSA-N 1 1 371.525 3.423 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153596507 496512307 /nfs/dbraw/zinc/51/23/07/496512307.db2.gz ASJACHOFMAHSGK-XOBRGWDASA-N 1 1 373.522 3.328 20 30 FGEDMO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153596507 496512308 /nfs/dbraw/zinc/51/23/08/496512308.db2.gz ASJACHOFMAHSGK-XOBRGWDASA-N 1 1 373.522 3.328 20 30 FGEDMO C[NH+](C)[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000175715365 496512767 /nfs/dbraw/zinc/51/27/67/496512767.db2.gz QDTFEPLXSMCMKS-SFHVURJKSA-N 1 1 360.379 3.476 20 30 FGEDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178628766 496522054 /nfs/dbraw/zinc/52/20/54/496522054.db2.gz IKBVVZGRAIDXRA-HOTGVXAUSA-N 1 1 372.513 3.086 20 30 FGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000163510304 496524984 /nfs/dbraw/zinc/52/49/84/496524984.db2.gz IVYFJXKYYXCJHV-AWEZNQCLSA-N 1 1 371.934 3.067 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000187662060 496525323 /nfs/dbraw/zinc/52/53/23/496525323.db2.gz MFHQWNDPCNBBND-INIZCTEOSA-N 1 1 372.490 3.424 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000187766393 496562964 /nfs/dbraw/zinc/56/29/64/496562964.db2.gz XVJFNJOSQFUJMD-NQIIRXRSSA-N 1 1 359.514 3.010 20 30 FGEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1ccc(F)c(F)c1 ZINC000187777315 496567956 /nfs/dbraw/zinc/56/79/56/496567956.db2.gz GNVSZRJLJSCVNS-QZTJIDSGSA-N 1 1 360.408 3.101 20 30 FGEDMO COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000157854027 496571487 /nfs/dbraw/zinc/57/14/87/496571487.db2.gz PCRWRKQYTOKUGZ-UHFFFAOYSA-N 1 1 364.449 3.353 20 30 FGEDMO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000187793787 496575119 /nfs/dbraw/zinc/57/51/19/496575119.db2.gz WJQRDQULVCJTSE-UHFFFAOYSA-N 1 1 367.474 3.373 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000175956705 496617635 /nfs/dbraw/zinc/61/76/35/496617635.db2.gz FWGFVTOPEIRFHJ-OAQYLSRUSA-N 1 1 363.461 3.220 20 30 FGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000175956705 496617643 /nfs/dbraw/zinc/61/76/43/496617643.db2.gz FWGFVTOPEIRFHJ-OAQYLSRUSA-N 1 1 363.461 3.220 20 30 FGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c(F)cc(C#N)cc1F ZINC000153911862 496621507 /nfs/dbraw/zinc/62/15/07/496621507.db2.gz LJKVXMUOZHIJGQ-INIZCTEOSA-N 1 1 369.415 3.431 20 30 FGEDMO C#CCOc1cc(F)ccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000158226287 496654889 /nfs/dbraw/zinc/65/48/89/496654889.db2.gz MBEATMLDTNADSN-UHFFFAOYSA-N 1 1 370.428 3.058 20 30 FGEDMO N#Cc1ccccc1NC(=O)CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000165672548 496665850 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364.493 3.154 20 30 FGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247011954 496751303 /nfs/dbraw/zinc/75/13/03/496751303.db2.gz PWMZEAPPBUNODP-GGPKGHCWSA-N 1 1 368.525 3.472 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)N3CCCC(C)(C)[C@@H]3C#N)CC2)cs1 ZINC000277402460 496761156 /nfs/dbraw/zinc/76/11/56/496761156.db2.gz BJWSCEVTBPUPAR-KRWDZBQOSA-N 1 1 360.527 3.204 20 30 FGEDMO Cc1c(Cl)cnc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1C#N ZINC000273283293 496763355 /nfs/dbraw/zinc/76/33/55/496763355.db2.gz DOIPQJYXBMPRSN-INIZCTEOSA-N 1 1 356.857 3.094 20 30 FGEDMO N#Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1O ZINC000188380917 496770976 /nfs/dbraw/zinc/77/09/76/496770976.db2.gz DVSMPBWCSMDNSA-IHWFROFDSA-N 1 1 361.445 3.189 20 30 FGEDMO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1Cl ZINC000188421938 496784857 /nfs/dbraw/zinc/78/48/57/496784857.db2.gz QIFOMDHCVUKZIG-UHFFFAOYSA-N 1 1 359.813 3.110 20 30 FGEDMO C=CCC[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000195039797 496800025 /nfs/dbraw/zinc/80/00/25/496800025.db2.gz DFIKPVCEWJIHPA-NSHGMRRFSA-N 1 1 359.514 3.445 20 30 FGEDMO C=CCC[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000195039797 496800030 /nfs/dbraw/zinc/80/00/30/496800030.db2.gz DFIKPVCEWJIHPA-NSHGMRRFSA-N 1 1 359.514 3.445 20 30 FGEDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000247184212 496800814 /nfs/dbraw/zinc/80/08/14/496800814.db2.gz KOWTUYLDHBYVSN-LPHOPBHVSA-N 1 1 358.486 3.011 20 30 FGEDMO CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268989591 496844115 /nfs/dbraw/zinc/84/41/15/496844115.db2.gz RMEPBMWUSOGDEM-NVXWUHKLSA-N 1 1 366.465 3.412 20 30 FGEDMO CC(C)CC[C@H]1CCC[N@H+]1CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1 ZINC000268989591 496844120 /nfs/dbraw/zinc/84/41/20/496844120.db2.gz RMEPBMWUSOGDEM-NVXWUHKLSA-N 1 1 366.465 3.412 20 30 FGEDMO C=CCN(Cc1ccccc1F)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277666031 496847474 /nfs/dbraw/zinc/84/74/74/496847474.db2.gz 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ZINC000574874005 505872777 /nfs/dbraw/zinc/87/27/77/505872777.db2.gz CXTXKGQTLWPBHM-UHFFFAOYSA-N 1 1 363.465 3.126 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1)C(=O)OC(C)(C)C ZINC000264567149 496931515 /nfs/dbraw/zinc/93/15/15/496931515.db2.gz PZLYLEBTXGNCLJ-QGZVFWFLSA-N 1 1 359.470 3.278 20 30 FGEDMO C=CC[C@H](C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccccc1 ZINC000188875329 496933567 /nfs/dbraw/zinc/93/35/67/496933567.db2.gz JCJUZNJXDYZXFN-VWPQPMDRSA-N 1 1 369.553 3.363 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)c(F)c1 ZINC000269388314 496935708 /nfs/dbraw/zinc/93/57/08/496935708.db2.gz BNJQYHAKLHDKLC-HXUWFJFHSA-N 1 1 351.425 3.021 20 30 FGEDMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c(C)o1 ZINC000191986638 496954679 /nfs/dbraw/zinc/95/46/79/496954679.db2.gz GCVAHOYMIGCIQD-UHFFFAOYSA-N 1 1 355.413 3.302 20 30 FGEDMO C[N@H+]1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000248135125 496960100 /nfs/dbraw/zinc/96/01/00/496960100.db2.gz XGLHOWMANORSON-UXHICEINSA-N 1 1 363.461 3.277 20 30 FGEDMO C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189051415 496991751 /nfs/dbraw/zinc/99/17/51/496991751.db2.gz SFTNOPRCOVZHJF-AEFFLSMTSA-N 1 1 351.494 3.359 20 30 FGEDMO CN1CCN(C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccccc2)CC1 ZINC000580982231 505882690 /nfs/dbraw/zinc/88/26/90/505882690.db2.gz SKKAUBMLJWALDC-XZOQPEGZSA-N 1 1 360.505 3.124 20 30 FGEDMO C=C(C)[C@H](CC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)OCC ZINC000270137914 497065535 /nfs/dbraw/zinc/06/55/35/497065535.db2.gz ZLHHUKMWEZSZKL-NRFANRHFSA-N 1 1 356.510 3.407 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227441809 497089674 /nfs/dbraw/zinc/08/96/74/497089674.db2.gz MMIWZTWOBSULSY-NYUBLWNDSA-N 1 1 371.525 3.444 20 30 FGEDMO Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000278418804 497107931 /nfs/dbraw/zinc/10/79/31/497107931.db2.gz SXEGYECALBMGGR-INIZCTEOSA-N 1 1 365.433 3.099 20 30 FGEDMO 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FGEDMO C[C@H]1C[N@H+](C2CCN(c3ccc(Br)cc3C#N)CC2)CCO1 ZINC000302183742 498432971 /nfs/dbraw/zinc/43/29/71/498432971.db2.gz ONCBNDJPBUDIOL-ZDUSSCGKSA-N 1 1 364.287 3.010 20 30 FGEDMO N#C[C@@]1(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCc2ccccc2C1 ZINC000575933647 506036030 /nfs/dbraw/zinc/03/60/30/506036030.db2.gz RIRIJZGQESLFNK-JTHBVZDNSA-N 1 1 359.473 3.076 20 30 FGEDMO COc1cccc(-n2cc(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)nn2)c1 ZINC000362043407 498457612 /nfs/dbraw/zinc/45/76/12/498457612.db2.gz XBNXOLUHKCBTDD-HNNXBMFYSA-N 1 1 363.421 3.029 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)OC[C@@H]3C)sc2C1 ZINC000331887226 498488111 /nfs/dbraw/zinc/48/81/11/498488111.db2.gz FVUOIDZJIFHKMD-RDBSUJKOSA-N 1 1 361.511 3.182 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H](C)OC[C@@H]3C)sc2C1 ZINC000331887226 498488117 /nfs/dbraw/zinc/48/81/17/498488117.db2.gz FVUOIDZJIFHKMD-RDBSUJKOSA-N 1 1 361.511 3.182 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3C[C@H](C)[N@@H+](C)C[C@H]3C)sc2C1 ZINC000331920126 498500087 /nfs/dbraw/zinc/50/00/87/498500087.db2.gz IMEBKEAUMOOLJD-QLFBSQMISA-N 1 1 374.554 3.098 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@H](C)N(C)C[C@H]3C)sc2C1 ZINC000331920126 498500093 /nfs/dbraw/zinc/50/00/93/498500093.db2.gz IMEBKEAUMOOLJD-QLFBSQMISA-N 1 1 374.554 3.098 20 30 FGEDMO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H](C)N(C)C[C@H]3C)sc2C1 ZINC000331920126 498500104 /nfs/dbraw/zinc/50/01/04/498500104.db2.gz IMEBKEAUMOOLJD-QLFBSQMISA-N 1 1 374.554 3.098 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)ccc1C#N ZINC000282438348 498512498 /nfs/dbraw/zinc/51/24/98/498512498.db2.gz FUEJTVSYPQQSDM-SFHVURJKSA-N 1 1 350.466 3.479 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000297617964 498513671 /nfs/dbraw/zinc/51/36/71/498513671.db2.gz HBMIARSRSVQDEK-SFGWALBWSA-N 1 1 351.494 3.487 20 30 FGEDMO N#Cc1cc(NCCc2cn3c([nH+]2)CCCC3)nc2ccc([N+](=O)[O-])cc12 ZINC000302664363 498526857 /nfs/dbraw/zinc/52/68/57/498526857.db2.gz MIOAQASLXIUUCF-UHFFFAOYSA-N 1 1 362.393 3.202 20 30 FGEDMO C=C(C)Cn1c(N2CCC[N@H+](C(C)(C)C)CC2)nnc1[C@]1(C)CCCO1 ZINC000569920586 506048198 /nfs/dbraw/zinc/04/81/98/506048198.db2.gz FZBCPJCBPXZAHH-FQEVSTJZSA-N 1 1 361.534 3.190 20 30 FGEDMO C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000569925663 506049529 /nfs/dbraw/zinc/04/95/29/506049529.db2.gz QAIHBXSHMQYGIR-CXAGYDPISA-N 1 1 355.467 3.219 20 30 FGEDMO CCN1CC[NH+](Cc2ccccc2CNc2c(C#N)cccc2C#N)CC1 ZINC000302815656 498585715 /nfs/dbraw/zinc/58/57/15/498585715.db2.gz BOWDQHOCSGQVJL-UHFFFAOYSA-N 1 1 359.477 3.180 20 30 FGEDMO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287039210 498602905 /nfs/dbraw/zinc/60/29/05/498602905.db2.gz STBFLWCBXQYGFF-RDTXWAMCSA-N 1 1 360.889 3.099 20 30 FGEDMO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000287039210 498602901 /nfs/dbraw/zinc/60/29/01/498602901.db2.gz STBFLWCBXQYGFF-RDTXWAMCSA-N 1 1 360.889 3.099 20 30 FGEDMO N#Cc1csc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000365741846 498620733 /nfs/dbraw/zinc/62/07/33/498620733.db2.gz IFORZEXGDCEPBA-ZWKOTPCHSA-N 1 1 351.475 3.214 20 30 FGEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000363064694 498631365 /nfs/dbraw/zinc/63/13/65/498631365.db2.gz ICQQXPYISACQHH-WMZOPIPTSA-N 1 1 365.481 3.017 20 30 FGEDMO COc1cccc(C(=O)N2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000363180708 498690441 /nfs/dbraw/zinc/69/04/41/498690441.db2.gz JUWCCOVHQDVZOV-QGZVFWFLSA-N 1 1 363.461 3.476 20 30 FGEDMO C=CCOCCCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000363279359 498742914 /nfs/dbraw/zinc/74/29/14/498742914.db2.gz YYYZACMEQMJJOA-QFBILLFUSA-N 1 1 350.890 3.432 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291150123 498816178 /nfs/dbraw/zinc/81/61/78/498816178.db2.gz AFZAGKQMTZYZLY-RBUKOAKNSA-N 1 1 365.481 3.082 20 30 FGEDMO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000283442222 498885860 /nfs/dbraw/zinc/88/58/60/498885860.db2.gz YXIGCSIGUBORLJ-APWZRJJASA-N 1 1 366.513 3.302 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000582040245 506118441 /nfs/dbraw/zinc/11/84/41/506118441.db2.gz OWKNQHCUYZUFHL-QAPCUYQASA-N 1 1 373.522 3.256 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000582040245 506118446 /nfs/dbraw/zinc/11/84/46/506118446.db2.gz OWKNQHCUYZUFHL-QAPCUYQASA-N 1 1 373.522 3.256 20 30 FGEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(C)(C)C#N)c1 ZINC000298870941 498903635 /nfs/dbraw/zinc/90/36/35/498903635.db2.gz TZHGGARDXBKFBZ-CYBMUJFWSA-N 1 1 360.433 3.127 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(C)(C)C#N)c1 ZINC000298870941 498903641 /nfs/dbraw/zinc/90/36/41/498903641.db2.gz TZHGGARDXBKFBZ-CYBMUJFWSA-N 1 1 360.433 3.127 20 30 FGEDMO C[N@H+]1CCC[C@]2(CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C2)C1 ZINC000328721391 498915413 /nfs/dbraw/zinc/91/54/13/498915413.db2.gz WUZPWGDPQZHSAD-QFIPXVFZSA-N 1 1 363.509 3.406 20 30 FGEDMO C[C@H](NC(=O)N[C@@H]1CCCC12CCOCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000328734746 498920418 /nfs/dbraw/zinc/92/04/18/498920418.db2.gz YPEGJNKWMHEZLP-YQVWRLOYSA-N 1 1 363.546 3.492 20 30 FGEDMO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CC[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000328746987 498924378 /nfs/dbraw/zinc/92/43/78/498924378.db2.gz ASQAZNPEHVUWBQ-ZWKOTPCHSA-N 1 1 372.513 3.481 20 30 FGEDMO O=C(N[C@H](Cc1cnc[nH]1)C(=O)N1CCC2(CCC2)C1)C1CCCCC1 ZINC000328749483 498925486 /nfs/dbraw/zinc/92/54/86/498925486.db2.gz BQKMWBLJHFODCA-QGZVFWFLSA-N 1 1 358.486 3.260 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328761862 498930014 /nfs/dbraw/zinc/93/00/14/498930014.db2.gz YRXQJDNQGXNCSO-NJAFHUGGSA-N 1 1 370.497 3.367 20 30 FGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295187475 498936995 /nfs/dbraw/zinc/93/69/95/498936995.db2.gz SPBCTYSQVKWOHC-OXJNMPFZSA-N 1 1 350.466 3.249 20 30 FGEDMO CC[C@H](NC(=O)[C@H]1CCCC(=O)N1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000328841237 498958039 /nfs/dbraw/zinc/95/80/39/498958039.db2.gz ZLJCTADJUFOIEU-KSZLIROESA-N 1 1 359.470 3.132 20 30 FGEDMO CC[C@H](NC(=O)[C@H]1CCCC(=O)N1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000328841237 498958044 /nfs/dbraw/zinc/95/80/44/498958044.db2.gz ZLJCTADJUFOIEU-KSZLIROESA-N 1 1 359.470 3.132 20 30 FGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000328937628 498991770 /nfs/dbraw/zinc/99/17/70/498991770.db2.gz JVBOFVPVOPDVLA-FSNPWBFUSA-N 1 1 362.518 3.211 20 30 FGEDMO Cc1c(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cnn1CC(C)C ZINC000329110976 499044424 /nfs/dbraw/zinc/04/44/24/499044424.db2.gz GNANTAUDHWANSS-LPHOPBHVSA-N 1 1 359.518 3.342 20 30 FGEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000329120680 499048378 /nfs/dbraw/zinc/04/83/78/499048378.db2.gz KGLUERLLLXONLE-RMJJICAUSA-N 1 1 351.535 3.180 20 30 FGEDMO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000329135584 499052555 /nfs/dbraw/zinc/05/25/55/499052555.db2.gz QOYDTZGWCXPSDE-JTDSTZFVSA-N 1 1 361.534 3.022 20 30 FGEDMO C[C@H](C(=O)NC1CCCC1)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329135584 499052558 /nfs/dbraw/zinc/05/25/58/499052558.db2.gz QOYDTZGWCXPSDE-JTDSTZFVSA-N 1 1 361.534 3.022 20 30 FGEDMO C[C@H](C(=O)NC1CCCC1)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000329135584 499052563 /nfs/dbraw/zinc/05/25/63/499052563.db2.gz QOYDTZGWCXPSDE-JTDSTZFVSA-N 1 1 361.534 3.022 20 30 FGEDMO Cc1noc([C@H](NC(=O)CC[N@@H+]2CCCC[C@@H]2C)C2CCOCC2)n1 ZINC000329195420 499068798 /nfs/dbraw/zinc/06/87/98/499068798.db2.gz SKALAQZXMNFUFZ-SUMWQHHRSA-N 1 1 350.463 3.067 20 30 FGEDMO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000329263534 499086339 /nfs/dbraw/zinc/08/63/39/499086339.db2.gz ZUTVDHXKAXLLJA-CABCVRRESA-N 1 1 363.259 3.083 20 30 FGEDMO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CCC(O)CC3)CC2)c(C#N)c1C ZINC000295717792 499087054 /nfs/dbraw/zinc/08/70/54/499087054.db2.gz NUJNRFGBDNPYNW-CQSZACIVSA-N 1 1 359.470 3.112 20 30 FGEDMO CCC1(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)CCOCC1 ZINC000329293098 499092144 /nfs/dbraw/zinc/09/21/44/499092144.db2.gz BDGPFNIAIVKZDD-UHFFFAOYSA-N 1 1 363.527 3.330 20 30 FGEDMO C[N@@H+]1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1ccc(F)cc1 ZINC000366851700 499094410 /nfs/dbraw/zinc/09/44/10/499094410.db2.gz MTUWVXQYHBIWRC-FUHWJXTLSA-N 1 1 359.351 3.151 20 30 FGEDMO C[N@H+]1CC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)[C@H]1c1ccc(F)cc1 ZINC000366851700 499094415 /nfs/dbraw/zinc/09/44/15/499094415.db2.gz MTUWVXQYHBIWRC-FUHWJXTLSA-N 1 1 359.351 3.151 20 30 FGEDMO CN(C)C(=O)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000329304973 499095053 /nfs/dbraw/zinc/09/50/53/499095053.db2.gz YEFLHOHJABMDCU-AYHJJNSGSA-N 1 1 355.482 3.007 20 30 FGEDMO CCC(=O)N[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000329325308 499099603 /nfs/dbraw/zinc/09/96/03/499099603.db2.gz WBPMGCOOEDZLHV-BRWVUGGUSA-N 1 1 364.534 3.384 20 30 FGEDMO Cc1cc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cnc1N1CCCC[C@H]1C ZINC000329335450 499102728 /nfs/dbraw/zinc/10/27/28/499102728.db2.gz LGAGZVAUJUZXHM-ZIFCJYIRSA-N 1 1 371.529 3.340 20 30 FGEDMO CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329337834 499102919 /nfs/dbraw/zinc/10/29/19/499102919.db2.gz MSGGDZRKELZKIS-ZIFCJYIRSA-N 1 1 361.534 3.229 20 30 FGEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cc2n(n1)CCO2 ZINC000329442223 499122344 /nfs/dbraw/zinc/12/23/44/499122344.db2.gz BOZYAWKVRVPUCH-SFHVURJKSA-N 1 1 368.481 3.053 20 30 FGEDMO C[N@@H+](CC(=O)NC1CCOCC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000329470347 499126262 /nfs/dbraw/zinc/12/62/62/499126262.db2.gz YDBPDRIWXLXKJU-MSOLQXFVSA-N 1 1 350.434 3.113 20 30 FGEDMO Cc1sc2ncn(CCC(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)c(=O)c2c1C ZINC000329482951 499127530 /nfs/dbraw/zinc/12/75/30/499127530.db2.gz DYUOIGSMVBBGQH-CYBMUJFWSA-N 1 1 374.510 3.072 20 30 FGEDMO 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CCCc1c(NC(=O)C[NH+]2CCC(C)CC2)cnn1-c1cccc(C#N)c1 ZINC000440087269 500973802 /nfs/dbraw/zinc/97/38/02/500973802.db2.gz BPFQCVOGDSNMPW-UHFFFAOYSA-N 1 1 365.481 3.367 20 30 FGEDMO C=CCOc1ccc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)cc1Cl ZINC000449443955 501004241 /nfs/dbraw/zinc/00/42/41/501004241.db2.gz XDWLCULKWVGFIJ-QGZVFWFLSA-N 1 1 363.889 3.488 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)cc1 ZINC000449455426 501007004 /nfs/dbraw/zinc/00/70/04/501007004.db2.gz AHECFBKKUCASTK-OAQYLSRUSA-N 1 1 367.493 3.381 20 30 FGEDMO CN(CC[N@@H+](C)C1CC1)c1c(C#N)cnc2c(Br)cccc21 ZINC000440639157 501032633 /nfs/dbraw/zinc/03/26/33/501032633.db2.gz NPLSPPHPBQCXIU-UHFFFAOYSA-N 1 1 359.271 3.399 20 30 FGEDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449675530 501058919 /nfs/dbraw/zinc/05/89/19/501058919.db2.gz AIGPNBAOFUCUEN-JTSKRJEESA-N 1 1 366.461 3.109 20 30 FGEDMO C[C@@H](CNC(=O)NCC1CCC(C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000440990367 501071989 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359.433 3.321 20 30 FGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCN(c4ccccc4)CC3)o2)c1 ZINC000441222371 501105218 /nfs/dbraw/zinc/10/52/18/501105218.db2.gz XFFZFUXETMSZTA-UHFFFAOYSA-N 1 1 359.433 3.321 20 30 FGEDMO CCC[C@H]1CN(C(=O)c2cc(C#N)[nH]c2C)CC[N@H+]1Cc1ccccc1 ZINC000450421316 501118279 /nfs/dbraw/zinc/11/82/79/501118279.db2.gz LMCHADZUBPRDAN-IBGZPJMESA-N 1 1 350.466 3.322 20 30 FGEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)c1 ZINC000441338545 501122495 /nfs/dbraw/zinc/12/24/95/501122495.db2.gz FWNPJDGSYPOHAW-OAQYLSRUSA-N 1 1 362.477 3.078 20 30 FGEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)c1 ZINC000441374876 501130039 /nfs/dbraw/zinc/13/00/39/501130039.db2.gz HZPNDFXOGXTHMM-OAQYLSRUSA-N 1 1 362.477 3.078 20 30 FGEDMO N#Cc1cccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000450502895 501138564 /nfs/dbraw/zinc/13/85/64/501138564.db2.gz VORVQAQVJRAQCH-HNNXBMFYSA-N 1 1 351.410 3.383 20 30 FGEDMO Cn1c(C#N)ccc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450024137 501157233 /nfs/dbraw/zinc/15/72/33/501157233.db2.gz PJOSQISCJUQCQA-JOCHJYFZSA-N 1 1 362.477 3.025 20 30 FGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442052301 501193789 /nfs/dbraw/zinc/19/37/89/501193789.db2.gz GKTTVYSBFXAVIL-CQSZACIVSA-N 1 1 370.375 3.261 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450148223 501193899 /nfs/dbraw/zinc/19/38/99/501193899.db2.gz PLDGVHXWEUOOIX-BQJUDKOJSA-N 1 1 354.494 3.091 20 30 FGEDMO C[N@@H+](CCNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1CCCC1 ZINC000442183269 501205510 /nfs/dbraw/zinc/20/55/10/501205510.db2.gz SPIVOMYARNHMCM-UHFFFAOYSA-N 1 1 370.375 3.453 20 30 FGEDMO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000450200786 501209173 /nfs/dbraw/zinc/20/91/73/501209173.db2.gz JXRDTBOAENRHJA-QMHKHESXSA-N 1 1 357.457 3.450 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450303191 501229108 /nfs/dbraw/zinc/22/91/08/501229108.db2.gz MNADYAUVEIIEHG-IHETXDGRSA-N 1 1 366.864 3.179 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451018027 501239442 /nfs/dbraw/zinc/23/94/42/501239442.db2.gz LKCPNKWGLMZUNS-INIZCTEOSA-N 1 1 359.861 3.115 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451018027 501239444 /nfs/dbraw/zinc/23/94/44/501239444.db2.gz LKCPNKWGLMZUNS-INIZCTEOSA-N 1 1 359.861 3.115 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000451018027 501239445 /nfs/dbraw/zinc/23/94/45/501239445.db2.gz LKCPNKWGLMZUNS-INIZCTEOSA-N 1 1 359.861 3.115 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1F ZINC000451029924 501240609 /nfs/dbraw/zinc/24/06/09/501240609.db2.gz SMGOGXNSGZYXBB-GOSISDBHSA-N 1 1 366.440 3.346 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1F ZINC000451029924 501240610 /nfs/dbraw/zinc/24/06/10/501240610.db2.gz SMGOGXNSGZYXBB-GOSISDBHSA-N 1 1 366.440 3.346 20 30 FGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c(OC(F)F)c1 ZINC000451206354 501252119 /nfs/dbraw/zinc/25/21/19/501252119.db2.gz GBPAXZRRXGNHMD-UHFFFAOYSA-N 1 1 371.387 3.423 20 30 FGEDMO N#Cc1ccc(C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)c(OC(F)F)c1 ZINC000451206354 501252120 /nfs/dbraw/zinc/25/21/20/501252120.db2.gz GBPAXZRRXGNHMD-UHFFFAOYSA-N 1 1 371.387 3.423 20 30 FGEDMO CC[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000455275622 501260947 /nfs/dbraw/zinc/26/09/47/501260947.db2.gz RCHNUZYIMJRVLN-YSIASYRMSA-N 1 1 354.498 3.375 20 30 FGEDMO C=CC[N@@H+](Cc1sc(C)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000607731347 506243130 /nfs/dbraw/zinc/24/31/30/506243130.db2.gz NYCGDVHAIOBTGT-CQSZACIVSA-N 1 1 354.483 3.485 20 30 FGEDMO C=CCC[C@@H](CO)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000457652432 501278176 /nfs/dbraw/zinc/27/81/76/501278176.db2.gz OBMLDVPGTGCERC-XLIONFOSSA-N 1 1 359.514 3.045 20 30 FGEDMO C=CCC[C@H](CO)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000457652434 501278297 /nfs/dbraw/zinc/27/82/97/501278297.db2.gz OBMLDVPGTGCERC-YLJYHZDGSA-N 1 1 359.514 3.045 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451460400 501297074 /nfs/dbraw/zinc/29/70/74/501297074.db2.gz RMTFQPSTJFVOQB-JXFKEZNVSA-N 1 1 362.433 3.011 20 30 FGEDMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451460400 501297076 /nfs/dbraw/zinc/29/70/76/501297076.db2.gz RMTFQPSTJFVOQB-JXFKEZNVSA-N 1 1 362.433 3.011 20 30 FGEDMO COc1cc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000451461742 501297552 /nfs/dbraw/zinc/29/75/52/501297552.db2.gz STLUYFJSIZSHSC-OXJNMPFZSA-N 1 1 366.461 3.491 20 30 FGEDMO CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1C ZINC000451545561 501318853 /nfs/dbraw/zinc/31/88/53/501318853.db2.gz RHCCJPFZZARZQV-GPMSIDNRSA-N 1 1 361.461 3.208 20 30 FGEDMO C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000453458961 501337599 /nfs/dbraw/zinc/33/75/99/501337599.db2.gz BOABOZJPPPNKQR-ZWKOTPCHSA-N 1 1 361.534 3.264 20 30 FGEDMO C=C(C)Cn1c(N2CCC[N@H+](C3CCCC3)CC2)nnc1[C@]1(C)CCCO1 ZINC000453458591 501337856 /nfs/dbraw/zinc/33/78/56/501337856.db2.gz AJASJVYJNBVZTL-NRFANRHFSA-N 1 1 373.545 3.335 20 30 FGEDMO C[N@@H+](CCCNC(=O)Nc1cnc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000455746124 501377883 /nfs/dbraw/zinc/37/78/83/501377883.db2.gz BIAJABLYPDALPX-UHFFFAOYSA-N 1 1 357.845 3.250 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)Nc2cnc(C#N)c(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000455778007 501384138 /nfs/dbraw/zinc/38/41/38/501384138.db2.gz GFWIMOYXYXMCQI-XJKSGUPXSA-N 1 1 369.856 3.391 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455793131 501387490 /nfs/dbraw/zinc/38/74/90/501387490.db2.gz RPMWHFZEUYCGMN-SCLBCKFNSA-N 1 1 369.856 3.249 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000451894017 501394435 /nfs/dbraw/zinc/39/44/35/501394435.db2.gz RIDKRJODTURCMP-MFKMUULPSA-N 1 1 363.177 3.066 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000451894017 501394437 /nfs/dbraw/zinc/39/44/37/501394437.db2.gz RIDKRJODTURCMP-MFKMUULPSA-N 1 1 363.177 3.066 20 30 FGEDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000458233040 501399571 /nfs/dbraw/zinc/39/95/71/501399571.db2.gz WVTASGQEGJTASQ-KRWDZBQOSA-N 1 1 352.482 3.407 20 30 FGEDMO N#CCc1cccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000455911132 501413416 /nfs/dbraw/zinc/41/34/16/501413416.db2.gz DQPNXDOPZHRNNB-UHFFFAOYSA-N 1 1 354.479 3.206 20 30 FGEDMO COc1ccccc1[C@H](CNC(=O)Nc1cccc(CC#N)c1)[NH+](C)C ZINC000455935910 501420439 /nfs/dbraw/zinc/42/04/39/501420439.db2.gz BKKHKXVOTYLOGC-SFHVURJKSA-N 1 1 352.438 3.186 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](COC)CC1 ZINC000452104164 501436027 /nfs/dbraw/zinc/43/60/27/501436027.db2.gz NBJIGKXPJHWOPB-IAGOWNOFSA-N 1 1 350.528 3.400 20 30 FGEDMO Cc1cc(C#N)cc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000456006353 501436861 /nfs/dbraw/zinc/43/68/61/501436861.db2.gz QHMBKSJJJIKUDD-UHFFFAOYSA-N 1 1 364.449 3.021 20 30 FGEDMO C=C(CC)CNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000454033801 501447209 /nfs/dbraw/zinc/44/72/09/501447209.db2.gz PYKMSBGXHBYYCY-UHFFFAOYSA-N 1 1 357.498 3.472 20 30 FGEDMO CC[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000454243325 501490455 /nfs/dbraw/zinc/49/04/55/501490455.db2.gz FFPFVQYVNHFAJG-VDGAXYAQSA-N 1 1 354.498 3.205 20 30 FGEDMO CC(C)n1cc(C2=CCC[N@H+]([C@H](C)CC3(C#N)CCOCC3)CC2)nn1 ZINC000602677227 506258555 /nfs/dbraw/zinc/25/85/55/506258555.db2.gz WFGVDWYHWBETCH-QGZVFWFLSA-N 1 1 357.502 3.437 20 30 FGEDMO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000458783508 501530740 /nfs/dbraw/zinc/53/07/40/501530740.db2.gz JLBPTYFEKAFUNK-IBGZPJMESA-N 1 1 356.514 3.480 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000454547368 501575038 /nfs/dbraw/zinc/57/50/38/501575038.db2.gz KAMJLSBDFSCARX-UXHICEINSA-N 1 1 369.465 3.054 20 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/nfs/dbraw/zinc/82/84/53/501828453.db2.gz LPZCJYZXVIMHQJ-UHFFFAOYSA-N 1 1 361.555 3.063 20 30 FGEDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000460471668 501832165 /nfs/dbraw/zinc/83/21/65/501832165.db2.gz PTKFLZNOGURFED-INIZCTEOSA-N 1 1 367.515 3.056 20 30 FGEDMO C[C@H](Nc1nc2ncccc2cc1C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000596143718 506276617 /nfs/dbraw/zinc/27/66/17/506276617.db2.gz GVPKVOGREGBOPP-JXFKEZNVSA-N 1 1 373.460 3.203 20 30 FGEDMO C[C@H](Nc1nc2ncccc2cc1C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000596143718 506276634 /nfs/dbraw/zinc/27/66/34/506276634.db2.gz GVPKVOGREGBOPP-JXFKEZNVSA-N 1 1 373.460 3.203 20 30 FGEDMO C=CCNC(=O)c1ccc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000470873692 501838840 /nfs/dbraw/zinc/83/88/40/501838840.db2.gz PFVYLAHAADYDLF-HXUWFJFHSA-N 1 1 364.493 3.098 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470920233 501856574 /nfs/dbraw/zinc/85/65/74/501856574.db2.gz WHEHWRZETPCCTD-MJGOQNOKSA-N 1 1 360.473 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YIOSEDIFCYBLTB-SFHVURJKSA-N 1 1 370.884 3.335 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000471565667 502066446 /nfs/dbraw/zinc/06/64/46/502066446.db2.gz YIOSEDIFCYBLTB-SFHVURJKSA-N 1 1 370.884 3.335 20 30 FGEDMO Cc1ncc(CNC(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000602767634 506291910 /nfs/dbraw/zinc/29/19/10/506291910.db2.gz FFYVXYWLEOKRHJ-UHFFFAOYSA-N 1 1 356.495 3.240 20 30 FGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000475182001 502092785 /nfs/dbraw/zinc/09/27/85/502092785.db2.gz ZTEMUCCPXGQGHT-LPHOPBHVSA-N 1 1 369.509 3.030 20 30 FGEDMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1ccc2ccccc2c1 ZINC000464862909 502127440 /nfs/dbraw/zinc/12/74/40/502127440.db2.gz MWJVCSWOGDQGIE-KRWDZBQOSA-N 1 1 357.461 3.255 20 30 FGEDMO CCCNC(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000478957433 502130672 /nfs/dbraw/zinc/13/06/72/502130672.db2.gz JQOZLKZDXGEJSB-INIZCTEOSA-N 1 1 352.400 3.295 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cn(CCCC#N)c3ccccc23)C1 ZINC000468770585 502176880 /nfs/dbraw/zinc/17/68/80/502176880.db2.gz BBXMBXVULARJRK-KRWDZBQOSA-N 1 1 352.482 3.407 20 30 FGEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000471959801 502183939 /nfs/dbraw/zinc/18/39/39/502183939.db2.gz ZGCMJKNOCQZTEZ-PMACEKPBSA-N 1 1 352.482 3.011 20 30 FGEDMO COc1ccc(C[N@@H+](CCO)[C@@H]2CCCSC2)cc1OCCCC#N ZINC000475512049 502198129 /nfs/dbraw/zinc/19/81/29/502198129.db2.gz VAMRYIDQAIEURJ-QGZVFWFLSA-N 1 1 364.511 3.068 20 30 FGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468876909 502215064 /nfs/dbraw/zinc/21/50/64/502215064.db2.gz GMVBDPHHTFDTQN-CABCVRRESA-N 1 1 352.438 3.063 20 30 FGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475597666 502223777 /nfs/dbraw/zinc/22/37/77/502223777.db2.gz WYGJSNBEQYDUMY-ZDUSSCGKSA-N 1 1 369.918 3.000 20 30 FGEDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000461954169 502250642 /nfs/dbraw/zinc/25/06/42/502250642.db2.gz FSVYYWQYYWDQBX-UXHICEINSA-N 1 1 354.498 3.232 20 30 FGEDMO Cc1nc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(Cl)cc1C#N ZINC000461955995 502251797 /nfs/dbraw/zinc/25/17/97/502251797.db2.gz JIQXZWNQGQHLAL-YJBOKZPZSA-N 1 1 355.873 3.439 20 30 FGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CCC[C@H]1C#N ZINC000461961025 502254213 /nfs/dbraw/zinc/25/42/13/502254213.db2.gz TVMMEVIOFQYWMY-HHUCQEJWSA-N 1 1 354.498 3.134 20 30 FGEDMO C[N@H+](Cc1cc(C#N)ccc1Br)[C@@H](CC(N)=O)c1ccccc1 ZINC000483098725 502270559 /nfs/dbraw/zinc/27/05/59/502270559.db2.gz DCIRHTIDFHDILQ-KRWDZBQOSA-N 1 1 372.266 3.369 20 30 FGEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)[C@@H](CC(N)=O)c1ccccc1 ZINC000483098725 502270566 /nfs/dbraw/zinc/27/05/66/502270566.db2.gz DCIRHTIDFHDILQ-KRWDZBQOSA-N 1 1 372.266 3.369 20 30 FGEDMO COc1ccc([C@H](CNC(=O)c2ccc(C#N)s2)[NH+]2CCCC2)cc1 ZINC000486831499 502277680 /nfs/dbraw/zinc/27/76/80/502277680.db2.gz IVKBLAKUGYHBHT-KRWDZBQOSA-N 1 1 355.463 3.195 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](C)C2)c1C#N ZINC000472236032 502280477 /nfs/dbraw/zinc/28/04/77/502280477.db2.gz BOMRXNYBBWXBQA-CQSZACIVSA-N 1 1 354.454 3.288 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@@H](CNc2cccc(Br)c2C#N)C1 ZINC000582578584 506305350 /nfs/dbraw/zinc/30/53/50/506305350.db2.gz NSCFRXVFSVYXEO-ZDUSSCGKSA-N 1 1 352.276 3.089 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462113914 502311715 /nfs/dbraw/zinc/31/17/15/502311715.db2.gz USKNDVVJLATCRU-UHFFFAOYSA-N 1 1 366.465 3.440 20 30 FGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](COC)Cc1ccccc1 ZINC000472344477 502322755 /nfs/dbraw/zinc/32/27/55/502322755.db2.gz GDCQCINEIVJTBB-OAQYLSRUSA-N 1 1 365.477 3.466 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(F)cc1C#N ZINC000462272539 502376297 /nfs/dbraw/zinc/37/62/97/502376297.db2.gz PFVREYTUKODKPB-AUUYWEPGSA-N 1 1 352.413 3.339 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000465763756 502376676 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CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000485046759 502809996 /nfs/dbraw/zinc/80/99/96/502809996.db2.gz CLWWMRZABYIGLX-SFHVURJKSA-N 1 1 365.433 3.049 20 30 FGEDMO COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CC=CCC1 ZINC000485095085 502814853 /nfs/dbraw/zinc/81/48/53/502814853.db2.gz MQDBUIYVGAMLNB-OAHLLOKOSA-N 1 1 361.873 3.455 20 30 FGEDMO COCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CC=CCC1 ZINC000485114226 502816521 /nfs/dbraw/zinc/81/65/21/502816521.db2.gz SJDAAFPADBZSEJ-HNNXBMFYSA-N 1 1 361.873 3.455 20 30 FGEDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(C#N)cc1OC)c1cccc(F)c1 ZINC000513116295 502855675 /nfs/dbraw/zinc/85/56/75/502855675.db2.gz CCRJJRBISFKOFZ-FQEVSTJZSA-N 1 1 356.397 3.274 20 30 FGEDMO C[C@@]1(CNC(=O)N2CCC(C)(C#N)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000489051225 502869212 /nfs/dbraw/zinc/86/92/12/502869212.db2.gz JCBKARWIGPZGJG-NRFANRHFSA-N 1 1 354.498 3.376 20 30 FGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)cc1 ZINC000602890255 506339509 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20 30 FGEDMO COc1ccc(CCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000497469423 502966405 /nfs/dbraw/zinc/96/64/05/502966405.db2.gz HXGQKDJICFOWGU-INIZCTEOSA-N 1 1 351.450 3.458 20 30 FGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC ZINC000489472211 502966881 /nfs/dbraw/zinc/96/68/81/502966881.db2.gz FXYMNWWVJCNEDM-APWZRJJASA-N 1 1 358.482 3.408 20 30 FGEDMO CC[C@H](CNC(=O)NCC#Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000501386753 502998550 /nfs/dbraw/zinc/99/85/50/502998550.db2.gz JDTYQUVWWRTXKY-JOCHJYFZSA-N 1 1 361.489 3.174 20 30 FGEDMO C=CCCCS(=O)(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000489692464 503011999 /nfs/dbraw/zinc/01/19/99/503011999.db2.gz AOJBZYHQSCPZAN-PKOBYXMFSA-N 1 1 350.528 3.173 20 30 FGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000489758954 503027158 /nfs/dbraw/zinc/02/71/58/503027158.db2.gz ZURKADDBKICVQV-HKBOAZHASA-N 1 1 368.525 3.446 20 30 FGEDMO CCOC(=O)C(C)(C)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000510083947 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CCC[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CC[N@H+]1CCOC ZINC000501796468 503081590 /nfs/dbraw/zinc/08/15/90/503081590.db2.gz UQEDMADUOURZNS-QGZVFWFLSA-N 1 1 367.440 3.092 20 30 FGEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)cc1 ZINC000490103497 503109239 /nfs/dbraw/zinc/10/92/39/503109239.db2.gz SYOUQQSFARHKRR-DUXKGJEZSA-N 1 1 350.462 3.484 20 30 FGEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CC(C)(C)C#N ZINC000502012244 503126938 /nfs/dbraw/zinc/12/69/38/503126938.db2.gz DKHXEAUICDYYLB-LPHOPBHVSA-N 1 1 356.514 3.389 20 30 FGEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CC(C)(C)C#N ZINC000502012244 503126942 /nfs/dbraw/zinc/12/69/42/503126942.db2.gz DKHXEAUICDYYLB-LPHOPBHVSA-N 1 1 356.514 3.389 20 30 FGEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000506501239 503127240 /nfs/dbraw/zinc/12/72/40/503127240.db2.gz UZTFICKXDAQJOP-SFHVURJKSA-N 1 1 365.481 3.047 20 30 FGEDMO N#Cc1cccc(NC(=O)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000490206756 503131009 /nfs/dbraw/zinc/13/10/09/503131009.db2.gz XEHNBMQXEKYGTB-UHFFFAOYSA-N 1 1 364.405 3.460 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000506847387 503183106 /nfs/dbraw/zinc/18/31/06/503183106.db2.gz YZPYWBWVWNHEEP-AABGKKOBSA-N 1 1 357.498 3.199 20 30 FGEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000506847387 503183108 /nfs/dbraw/zinc/18/31/08/503183108.db2.gz YZPYWBWVWNHEEP-AABGKKOBSA-N 1 1 357.498 3.199 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000490544016 503193359 /nfs/dbraw/zinc/19/33/59/503193359.db2.gz LOTVMRKRRXQJKM-UZLBHIALSA-N 1 1 351.498 3.263 20 30 FGEDMO CCN1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000490544016 503193375 /nfs/dbraw/zinc/19/33/75/503193375.db2.gz LOTVMRKRRXQJKM-UZLBHIALSA-N 1 1 351.498 3.263 20 30 FGEDMO CCN1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000490544016 503193380 /nfs/dbraw/zinc/19/33/80/503193380.db2.gz LOTVMRKRRXQJKM-UZLBHIALSA-N 1 1 351.498 3.263 20 30 FGEDMO C=CC[N@H+](CCCCn1ccnc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000502695943 503253285 /nfs/dbraw/zinc/25/32/85/503253285.db2.gz ZZMHXXHKAUIAGV-QGZVFWFLSA-N 1 1 365.485 3.197 20 30 FGEDMO C=CCOc1ccc(CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000491070413 503269060 /nfs/dbraw/zinc/26/90/60/503269060.db2.gz SWVUEHXPGAUHOI-KRWDZBQOSA-N 1 1 357.498 3.267 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(OC(F)F)c1 ZINC000498944089 503300916 /nfs/dbraw/zinc/30/09/16/503300916.db2.gz ZAUQUVRBEKQQGK-AWEZNQCLSA-N 1 1 360.364 3.410 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c(OC(F)F)c1 ZINC000498944089 503300918 /nfs/dbraw/zinc/30/09/18/503300918.db2.gz ZAUQUVRBEKQQGK-AWEZNQCLSA-N 1 1 360.364 3.410 20 30 FGEDMO Cc1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)nn1-c1cccc(C#N)c1 ZINC000502947843 503312927 /nfs/dbraw/zinc/31/29/27/503312927.db2.gz HFXBNBVRMFPJBX-RDJZCZTQSA-N 1 1 365.481 3.045 20 30 FGEDMO C[C@@H]1[C@H](NC(=O)Nc2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000515328290 503315415 /nfs/dbraw/zinc/31/54/15/503315415.db2.gz QVOSUGAZFLAJRE-RDTXWAMCSA-N 1 1 352.413 3.482 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000515446254 503339368 /nfs/dbraw/zinc/33/93/68/503339368.db2.gz YXWBIZCBGFFOAC-AWEZNQCLSA-N 1 1 361.873 3.431 20 30 FGEDMO C=CC[N@H+](CC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000507716628 503354582 /nfs/dbraw/zinc/35/45/82/503354582.db2.gz HUZZVPHDBIIVNI-FQEVSTJZSA-N 1 1 355.503 3.494 20 30 FGEDMO C=CC[N@@H+](CC(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000507716628 503354587 /nfs/dbraw/zinc/35/45/87/503354587.db2.gz HUZZVPHDBIIVNI-FQEVSTJZSA-N 1 1 355.503 3.494 20 30 FGEDMO C=CC[N@H+](C[C@@H]1CCO[C@H](CC)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000507803856 503369895 /nfs/dbraw/zinc/36/98/95/503369895.db2.gz LQOHAGBSDAYEDV-SQGPQFPESA-N 1 1 355.486 3.417 20 30 FGEDMO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507832373 503376347 /nfs/dbraw/zinc/37/63/47/503376347.db2.gz AGWVTBKTEUMIGD-UTKZUKDTSA-N 1 1 369.509 3.439 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000499314959 503378009 /nfs/dbraw/zinc/37/80/09/503378009.db2.gz WBZIPCGEZCEXAF-WMZOPIPTSA-N 1 1 359.518 3.177 20 30 FGEDMO C[N@H+](CCCCC(C)(C)C#N)CCN1CCN(Cc2ccccc2)CC1 ZINC000511810944 503392591 /nfs/dbraw/zinc/39/25/91/503392591.db2.gz QIHIDIQLNCPKAI-UHFFFAOYSA-N 1 1 356.558 3.456 20 30 FGEDMO C[N@@H+](CCCCC(C)(C)C#N)CCN1CCN(Cc2ccccc2)CC1 ZINC000511810944 503392594 /nfs/dbraw/zinc/39/25/94/503392594.db2.gz QIHIDIQLNCPKAI-UHFFFAOYSA-N 1 1 356.558 3.456 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)COc1ccccc1C#N ZINC000499427596 503400359 /nfs/dbraw/zinc/40/03/59/503400359.db2.gz LGABNTZSHFBRFX-QZTJIDSGSA-N 1 1 363.461 3.058 20 30 FGEDMO Cc1nnc(-c2cccc(C#N)c2)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000516042124 503437128 /nfs/dbraw/zinc/43/71/28/503437128.db2.gz LUQGHODTFOEPBK-UHFFFAOYSA-N 1 1 373.460 3.006 20 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C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21)C1CC1 ZINC000548603608 504492299 /nfs/dbraw/zinc/49/22/99/504492299.db2.gz ZCAHJBDAZSKPKD-XWSHUIEDSA-N 1 1 351.494 3.453 20 30 FGEDMO COc1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000548626961 504501341 /nfs/dbraw/zinc/50/13/41/504501341.db2.gz KBGFHHUYFIKONY-NRFANRHFSA-N 1 1 364.445 3.103 20 30 FGEDMO C=CC[C@H](CO)CNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000539286933 504520232 /nfs/dbraw/zinc/52/02/32/504520232.db2.gz QAMKBOZVSODMQD-UEXGIBASSA-N 1 1 373.541 3.148 20 30 FGEDMO C=CCC(CC=C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000545564656 504527845 /nfs/dbraw/zinc/52/78/45/504527845.db2.gz BRHVTJGKDJBDDG-UHFFFAOYSA-N 1 1 366.465 3.360 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000532098315 504533690 /nfs/dbraw/zinc/53/36/90/504533690.db2.gz HBBHCTPGEUCRCK-OAHLLOKOSA-N 1 1 351.878 3.049 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2scc(C)c2C#N)cc1 ZINC000529097719 504534757 /nfs/dbraw/zinc/53/47/57/504534757.db2.gz ISSQXCQFVRXORZ-OAHLLOKOSA-N 1 1 370.478 3.333 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Nc2scc(C)c2C#N)cc1 ZINC000529097719 504534763 /nfs/dbraw/zinc/53/47/63/504534763.db2.gz ISSQXCQFVRXORZ-OAHLLOKOSA-N 1 1 370.478 3.333 20 30 FGEDMO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000535765499 504537702 /nfs/dbraw/zinc/53/77/02/504537702.db2.gz ASKRFPVJJTXHDG-MRXNPFEDSA-N 1 1 373.460 3.218 20 30 FGEDMO C[C@H](C(=O)c1c[nH]c2ncccc12)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000535765499 504537705 /nfs/dbraw/zinc/53/77/05/504537705.db2.gz ASKRFPVJJTXHDG-MRXNPFEDSA-N 1 1 373.460 3.218 20 30 FGEDMO COc1cc(C)ccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000548722182 504540687 /nfs/dbraw/zinc/54/06/87/504540687.db2.gz FGIOGBNVXNLILX-UHFFFAOYSA-N 1 1 363.461 3.223 20 30 FGEDMO COc1cc(C)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000548722182 504540691 /nfs/dbraw/zinc/54/06/91/504540691.db2.gz FGIOGBNVXNLILX-UHFFFAOYSA-N 1 1 363.461 3.223 20 30 FGEDMO C[C@@H](c1cccc(NCc2cnc3ccc(C#N)cn23)c1)[NH+]1CCOCC1 ZINC000535835784 504561065 /nfs/dbraw/zinc/56/10/65/504561065.db2.gz ORHLJYJXDWRFIJ-INIZCTEOSA-N 1 1 361.449 3.211 20 30 FGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1OCC(=O)N1CCCC1 ZINC000539460001 504579526 /nfs/dbraw/zinc/57/95/26/504579526.db2.gz HAXQRKXIKPNVOL-LJQANCHMSA-N 1 1 367.449 3.393 20 30 FGEDMO COCc1ccc(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1C#N ZINC000529205688 504582728 /nfs/dbraw/zinc/58/27/28/504582728.db2.gz JOUTUVDBZQDNSC-UHFFFAOYSA-N 1 1 364.449 3.053 20 30 FGEDMO COCc1ccc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1C#N ZINC000529207589 504583204 /nfs/dbraw/zinc/58/32/04/504583204.db2.gz VDSZJERXCOZWBH-HNNXBMFYSA-N 1 1 356.470 3.043 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC000520809343 504587348 /nfs/dbraw/zinc/58/73/48/504587348.db2.gz YCLNEGUAAFTYRQ-INIZCTEOSA-N 1 1 355.486 3.462 20 30 FGEDMO C[C@@H]1C[C@H](NC(=O)Nc2ccc(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000521058282 504639044 /nfs/dbraw/zinc/63/90/44/504639044.db2.gz GAAIMCSVTSHJPT-KDOFPFPSSA-N 1 1 352.413 3.482 20 30 FGEDMO C[C@@H]1CC[C@@]2(CC[N@H+](CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)C1 ZINC000542883164 504646188 /nfs/dbraw/zinc/64/61/88/504646188.db2.gz MASUYVVRQZHWMX-IIBYNOLFSA-N 1 1 363.465 3.195 20 30 FGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)C1 ZINC000542883164 504646191 /nfs/dbraw/zinc/64/61/91/504646191.db2.gz MASUYVVRQZHWMX-IIBYNOLFSA-N 1 1 363.465 3.195 20 30 FGEDMO COc1cc2c(cc1F)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC2 ZINC000539737025 504669948 /nfs/dbraw/zinc/66/99/48/504669948.db2.gz GSRZOXBWNKRMGR-UHFFFAOYSA-N 1 1 353.397 3.093 20 30 FGEDMO C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000521187483 504673125 /nfs/dbraw/zinc/67/31/25/504673125.db2.gz NCSGGVPSMASCFJ-UHFFFAOYSA-N 1 1 361.367 3.325 20 30 FGEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000521187483 504673130 /nfs/dbraw/zinc/67/31/30/504673130.db2.gz NCSGGVPSMASCFJ-UHFFFAOYSA-N 1 1 361.367 3.325 20 30 FGEDMO COc1ccc2c(c1)CCC[N@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000532537398 504685416 /nfs/dbraw/zinc/68/54/16/504685416.db2.gz IFGSPJNVLLAHJL-UHFFFAOYSA-N 1 1 355.463 3.405 20 30 FGEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000543030653 504696244 /nfs/dbraw/zinc/69/62/44/504696244.db2.gz WIXYDEUQBUUBQG-KBPBESRZSA-N 1 1 358.467 3.390 20 30 FGEDMO CC[C@@H]1CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC[N@H+]1Cc1ccccc1 ZINC000546103472 504709636 /nfs/dbraw/zinc/70/96/36/504709636.db2.gz BXNGIQYOGGHDFU-UZKOGDIHSA-N 1 1 370.541 3.026 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000532625670 504714861 /nfs/dbraw/zinc/71/48/61/504714861.db2.gz HSSGQBMWOQHIKH-HUUCEWRRSA-N 1 1 356.495 3.236 20 30 FGEDMO C[C@H]1OCC[C@]12C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](C)O2 ZINC000556091621 504794056 /nfs/dbraw/zinc/79/40/56/504794056.db2.gz ZETQIYQLTCSHOU-RKVPGOIHSA-N 1 1 369.383 3.205 20 30 FGEDMO C[C@H]1OCC[C@]12C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H](C)O2 ZINC000556091621 504794060 /nfs/dbraw/zinc/79/40/60/504794060.db2.gz ZETQIYQLTCSHOU-RKVPGOIHSA-N 1 1 369.383 3.205 20 30 FGEDMO CCC[N@@H+](CC(=O)NCCO[C@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000559203506 504801140 /nfs/dbraw/zinc/80/11/40/504801140.db2.gz KMRHHBLIMFRNSV-RXVVDRJESA-N 1 1 371.525 3.482 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(C#N)cc(N(C)C)c2)C1 ZINC000556160481 504807504 /nfs/dbraw/zinc/80/75/04/504807504.db2.gz BZLDKOQSXGFUSD-QZTJIDSGSA-N 1 1 368.525 3.351 20 30 FGEDMO COC(=O)C[C@](C)([NH2+]Cc1ccc(C#N)cc1F)c1cccc(OC)c1 ZINC000565385101 504871692 /nfs/dbraw/zinc/87/16/92/504871692.db2.gz MHHZYTDEAIORIF-FQEVSTJZSA-N 1 1 356.397 3.274 20 30 FGEDMO C=CCCCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000559681187 504909366 /nfs/dbraw/zinc/90/93/66/504909366.db2.gz KFTYRDSAUHKCIB-SFHVURJKSA-N 1 1 371.525 3.102 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000556639306 504928204 /nfs/dbraw/zinc/92/82/04/504928204.db2.gz QICNUUPKKZTYPT-YRWFTTLQSA-N 1 1 362.477 3.148 20 30 FGEDMO N#Cc1nc(N2CC[NH+](Cc3ccsc3)CC2)ccc1C(F)(F)F ZINC000559805674 504930216 /nfs/dbraw/zinc/93/02/16/504930216.db2.gz CQPKQTDPAGWAMM-UHFFFAOYSA-N 1 1 352.385 3.356 20 30 FGEDMO CCC[N@@H+](C)[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000553580935 504955015 /nfs/dbraw/zinc/95/50/15/504955015.db2.gz WNTGLCYFYBJNNX-MRXNPFEDSA-N 1 1 373.844 3.432 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)s2)C1 ZINC000562931822 504991179 /nfs/dbraw/zinc/99/11/79/504991179.db2.gz SWXDDFMMNPEKRY-ZBFHGGJFSA-N 1 1 354.479 3.254 20 30 FGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)s2)C1 ZINC000562931820 504991622 /nfs/dbraw/zinc/99/16/22/504991622.db2.gz SWXDDFMMNPEKRY-GOEBONIOSA-N 1 1 354.479 3.254 20 30 FGEDMO CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000550265501 505006491 /nfs/dbraw/zinc/00/64/91/505006491.db2.gz MRXINRIPISKDSM-MJGOQNOKSA-N 1 1 357.816 3.412 20 30 FGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000553865526 505028995 /nfs/dbraw/zinc/02/89/95/505028995.db2.gz PHOMSQCQRLYSMU-FQEVSTJZSA-N 1 1 358.869 3.264 20 30 FGEDMO C[C@@H](C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)CO)c1ccccc1 ZINC000553935130 505047303 /nfs/dbraw/zinc/04/73/03/505047303.db2.gz RDXDDNDWYQAMOE-HOTGVXAUSA-N 1 1 371.506 3.435 20 30 FGEDMO N#CCSCCC[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000566173257 505104182 /nfs/dbraw/zinc/10/41/82/505104182.db2.gz KASDCXQKGHVYGW-QGZVFWFLSA-N 1 1 363.502 3.191 20 30 FGEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCC(CCC#N)CC3)cc2)C[C@H](C)O1 ZINC000566276572 505131288 /nfs/dbraw/zinc/13/12/88/505131288.db2.gz ZZBKIGHJQJBBOL-ROUUACIJSA-N 1 1 369.509 3.452 20 30 FGEDMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566306108 505140208 /nfs/dbraw/zinc/14/02/08/505140208.db2.gz GBQONNXIBWJABH-KRWDZBQOSA-N 1 1 352.394 3.213 20 30 FGEDMO C=CCn1c(C2CC2)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000566326876 505144609 /nfs/dbraw/zinc/14/46/09/505144609.db2.gz IJQXBXOOUWHANF-QGZVFWFLSA-N 1 1 351.498 3.442 20 30 FGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000554331202 505147580 /nfs/dbraw/zinc/14/75/80/505147580.db2.gz NJMVSIQGQLHJID-RTBURBONSA-N 1 1 359.518 3.179 20 30 FGEDMO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000557653798 505194675 /nfs/dbraw/zinc/19/46/75/505194675.db2.gz VMBSNTPYXYKNEO-CMKODMSKSA-N 1 1 371.525 3.017 20 30 FGEDMO N#Cc1ccncc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000563720527 505220441 /nfs/dbraw/zinc/22/04/41/505220441.db2.gz BATNBRFBMYNQGL-GOSISDBHSA-N 1 1 368.868 3.391 20 30 FGEDMO N#Cc1ccncc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000563720527 505220445 /nfs/dbraw/zinc/22/04/45/505220445.db2.gz BATNBRFBMYNQGL-GOSISDBHSA-N 1 1 368.868 3.391 20 30 FGEDMO C=CCOc1cc(OC)ccc1-c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000566645962 505231292 /nfs/dbraw/zinc/23/12/92/505231292.db2.gz GZOGRNBAHCLIMJ-YLJYHZDGSA-N 1 1 371.437 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ZINC000736785602 600571219 /nfs/dbraw/zinc/57/12/19/600571219.db2.gz SZRUOWMNPNKOKH-YVWKXTFCSA-N 1 1 355.482 3.270 20 30 FGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(-c2nn[nH]n2)ccc1OC ZINC000825322649 607516280 /nfs/dbraw/zinc/51/62/80/607516280.db2.gz HOFJAEUCNUOZMU-UHFFFAOYSA-N 1 1 362.437 3.159 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1ccc(F)cc1C ZINC000819745772 606110698 /nfs/dbraw/zinc/11/06/98/606110698.db2.gz RICUJOTWNMGAIJ-LJQANCHMSA-N 1 1 367.428 3.036 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)ccc1O ZINC000823914191 608631276 /nfs/dbraw/zinc/63/12/76/608631276.db2.gz CYDCABNTCBLLCR-UHFFFAOYSA-N 1 1 355.829 3.414 20 30 FGEDMO C=CC[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914443 608632621 /nfs/dbraw/zinc/63/26/21/608632621.db2.gz IUPXAKSAAGKYOR-UHFFFAOYSA-N 1 1 351.458 3.006 20 30 FGEDMO C=CC[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823914443 608632622 /nfs/dbraw/zinc/63/26/22/608632622.db2.gz 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700811125 /nfs/dbraw/zinc/81/11/25/700811125.db2.gz RQTATHMOPXDUIF-IRXDYDNUSA-N 1 1 361.536 3.478 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000131263620 700812713 /nfs/dbraw/zinc/81/27/13/700812713.db2.gz NYDXHBWXXLIPPF-UHFFFAOYSA-N 1 1 359.495 3.153 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000131263620 700812717 /nfs/dbraw/zinc/81/27/17/700812717.db2.gz NYDXHBWXXLIPPF-UHFFFAOYSA-N 1 1 359.495 3.153 20 30 FGEDMO C=CCn1c(C)nn(CN2CCC(C[N@H+](C)CCCC)CC2)c1=S ZINC000151796145 704937944 /nfs/dbraw/zinc/93/79/44/704937944.db2.gz XSEJXFCTRDPMDX-UHFFFAOYSA-N 1 1 351.564 3.310 20 30 FGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157731295 705162326 /nfs/dbraw/zinc/16/23/26/705162326.db2.gz WXSWFVSANDHIRP-LLVKDONJSA-N 1 1 358.667 3.247 20 30 FGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157731295 705162329 /nfs/dbraw/zinc/16/23/29/705162329.db2.gz WXSWFVSANDHIRP-LLVKDONJSA-N 1 1 358.667 3.247 20 30 FGEDMO C=CCc1cc(C[NH+]2CCN([C@@H](C)C(F)(F)F)CC2)c(O)c(OC)c1 ZINC000164457656 705329060 /nfs/dbraw/zinc/32/90/60/705329060.db2.gz PMFGOOZBJFGCGW-ZDUSSCGKSA-N 1 1 358.404 3.198 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1=S ZINC000165147185 705337338 /nfs/dbraw/zinc/33/73/38/705337338.db2.gz WGAUIYOVSHIVJF-INIZCTEOSA-N 1 1 358.511 3.116 20 30 FGEDMO C=CCn1c2ccccc2n(C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1=S ZINC000165147185 705337340 /nfs/dbraw/zinc/33/73/40/705337340.db2.gz WGAUIYOVSHIVJF-INIZCTEOSA-N 1 1 358.511 3.116 20 30 FGEDMO CSCCCCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000186839632 712727045 /nfs/dbraw/zinc/72/70/45/712727045.db2.gz AGCAWBMDOVNVQI-UHFFFAOYSA-N 1 1 358.511 3.179 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246139671 713617952 /nfs/dbraw/zinc/61/79/52/713617952.db2.gz ASQZKZQOUXEBHY-MSOLQXFVSA-N 1 1 359.495 3.152 20 30 FGEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246139671 713617953 /nfs/dbraw/zinc/61/79/53/713617953.db2.gz ASQZKZQOUXEBHY-MSOLQXFVSA-N 1 1 359.495 3.152 20 30 FGEDMO C[C@@H]1C[N@@H+](C(C)(C)C/N=C\c2cc(Br)ccc2O)C[C@H](C)O1 ZINC000255898875 713709768 /nfs/dbraw/zinc/70/97/68/713709768.db2.gz TZAFELDLNWKNBZ-BFUKBPFLSA-N 1 1 369.303 3.461 20 30 FGEDMO CC(C)c1nc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000263183140 713739434 /nfs/dbraw/zinc/73/94/34/713739434.db2.gz UOBFNMKWKRGQBJ-SECBINFHSA-N 1 1 355.273 3.400 20 30 FGEDMO Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OCC(F)F ZINC000328769457 713825824 /nfs/dbraw/zinc/82/58/24/713825824.db2.gz QQJWAPPVUWLOFH-GJZGRUSLSA-N 1 1 353.413 3.401 20 30 FGEDMO Cc1cnc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)s1 ZINC000374233906 713906908 /nfs/dbraw/zinc/90/69/08/713906908.db2.gz CNWWWUVGXZWMET-HZPDHXFCSA-N 1 1 360.527 3.362 20 30 FGEDMO Cc1cnc([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)s1 ZINC000374233906 713906911 /nfs/dbraw/zinc/90/69/11/713906911.db2.gz CNWWWUVGXZWMET-HZPDHXFCSA-N 1 1 360.527 3.362 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000521685899 714141931 /nfs/dbraw/zinc/14/19/31/714141931.db2.gz IXIDVZBQIDMVPI-UHFFFAOYSA-N 1 1 358.507 3.168 20 30 FGEDMO N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nc1 ZINC000522100553 714170065 /nfs/dbraw/zinc/17/00/65/714170065.db2.gz WTSCQTASYRFTAP-SFHVURJKSA-N 1 1 354.841 3.174 20 30 FGEDMO N#CCSCCC[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000524792378 714302684 /nfs/dbraw/zinc/30/26/84/714302684.db2.gz VDEZNGPCFGJNPI-UHFFFAOYSA-N 1 1 371.428 3.110 20 30 FGEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000790671780 723166438 /nfs/dbraw/zinc/16/64/38/723166438.db2.gz HWPWADIOJKHJPK-QGZVFWFLSA-N 1 1 352.400 3.390 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646920811 718321989 /nfs/dbraw/zinc/32/19/89/718321989.db2.gz VKDAABHGSULFBT-DOMZBBRYSA-N 1 1 354.372 3.046 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000651076697 718764569 /nfs/dbraw/zinc/76/45/69/718764569.db2.gz PUFNIYHYORQRRE-HKUYNNGSSA-N 1 1 351.535 3.312 20 30 FGEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(NS(C)(=O)=O)c1 ZINC000781913905 724611767 /nfs/dbraw/zinc/61/17/67/724611767.db2.gz RQAPRPAHPZXSTO-GFCCVEGCSA-N 1 1 363.870 3.434 20 30 FGEDMO C=CC[C@@H]1CCC[N@H+](CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)C1 ZINC000661380043 720238078 /nfs/dbraw/zinc/23/80/78/720238078.db2.gz KUDNKZLPCSWLKP-QGZVFWFLSA-N 1 1 364.511 3.097 20 30 FGEDMO C=C(Br)COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786502624 724984557 /nfs/dbraw/zinc/98/45/57/724984557.db2.gz MHLMALVOGUBHAF-UHFFFAOYSA-N 1 1 358.142 3.270 20 30 FGEDMO C=CCC1(NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CCCC1 ZINC000664140472 720598879 /nfs/dbraw/zinc/59/88/79/720598879.db2.gz BWKPLPXSIIJTEC-ROUUACIJSA-N 1 1 351.535 3.312 20 30 FGEDMO Cc1nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164781047 721392135 /nfs/dbraw/zinc/39/21/35/721392135.db2.gz AMJKIYXDRWQIQN-ZIAGYGMSSA-N 1 1 373.913 3.248 20 30 FGEDMO Cc1nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164781045 721392434 /nfs/dbraw/zinc/39/24/34/721392434.db2.gz AMJKIYXDRWQIQN-KBPBESRZSA-N 1 1 373.913 3.248 20 30 FGEDMO C#CC[N@@H+](C)CCCNc1ccc(Br)c(C(F)(F)F)n1 ZINC000814928928 727012116 /nfs/dbraw/zinc/01/21/16/727012116.db2.gz NOCSTXKWTVBVTE-UHFFFAOYSA-N 1 1 350.182 3.230 20 30 FGEDMO CCc1nnc(CO[NH+]=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)s1 ZINC000784046056 724815886 /nfs/dbraw/zinc/81/58/86/724815886.db2.gz HVVZJHMWGRKORH-UHFFFAOYSA-N 1 1 361.427 3.160 20 30 FGEDMO C=CCOCC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000679576868 722035925 /nfs/dbraw/zinc/03/59/25/722035925.db2.gz WGRLLIGTSSGQBJ-LBPRGKRZSA-N 1 1 365.275 3.191 20 30 FGEDMO C[NH+](C)[C@H](C(=O)NCc1ccc(OCC#N)cc1)c1cccc(Cl)c1 ZINC000732283796 722483458 /nfs/dbraw/zinc/48/34/58/722483458.db2.gz DTPLWXUHNAQDCM-SFHVURJKSA-N 1 1 357.841 3.161 20 30 FGEDMO C#CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733197199 722493759 /nfs/dbraw/zinc/49/37/59/722493759.db2.gz QFUCPXUKCYJXAT-HOCLYGCPSA-N 1 1 350.256 3.387 20 30 FGEDMO C#CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000733197199 722493760 /nfs/dbraw/zinc/49/37/60/722493760.db2.gz QFUCPXUKCYJXAT-HOCLYGCPSA-N 1 1 350.256 3.387 20 30 FGEDMO C#CCSCCNC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000740073529 722534984 /nfs/dbraw/zinc/53/49/84/722534984.db2.gz PETBMEITBRFGIA-UHFFFAOYSA-N 1 1 359.539 3.004 20 30 FGEDMO CC(C)[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCOCC1 ZINC000740886526 722539164 /nfs/dbraw/zinc/53/91/64/722539164.db2.gz SNSYHQJHCFMPBZ-OAHLLOKOSA-N 1 1 357.479 3.362 20 30 FGEDMO CC(C)[N@@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C1CCOCC1 ZINC000740886526 722539165 /nfs/dbraw/zinc/53/91/65/722539165.db2.gz SNSYHQJHCFMPBZ-OAHLLOKOSA-N 1 1 357.479 3.362 20 30 FGEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000742060680 722551709 /nfs/dbraw/zinc/55/17/09/722551709.db2.gz UDLZKXPHIKKNLT-IRXDYDNUSA-N 1 1 351.277 3.264 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=S)Nc2ccccc2C#N)C1 ZINC000743010584 722562684 /nfs/dbraw/zinc/56/26/84/722562684.db2.gz INUWBPJTMIRWNH-GOSISDBHSA-N 1 1 350.491 3.461 20 30 FGEDMO CC(=NNc1ccc(Cl)nc1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000743450462 722567643 /nfs/dbraw/zinc/56/76/43/722567643.db2.gz QQVIIJZOEMYAGO-UHFFFAOYSA-N 1 1 360.845 3.109 20 30 FGEDMO Fc1cc(Br)cc2c1CCC2=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753934653 722918979 /nfs/dbraw/zinc/91/89/79/722918979.db2.gz JLLQOAJCCAWYRX-GJZGRUSLSA-N 1 1 365.250 3.099 20 30 FGEDMO CCCOc1c(Cl)cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1OC ZINC000753938824 722919260 /nfs/dbraw/zinc/91/92/60/722919260.db2.gz MQXGKAYIZQRCQX-GJZGRUSLSA-N 1 1 364.877 3.331 20 30 FGEDMO C[C@@H]1CC[N@@H+](Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CCS1 ZINC000755199083 722951245 /nfs/dbraw/zinc/95/12/45/722951245.db2.gz JEUYWEJEHKXLRI-UKRRQHHQSA-N 1 1 352.463 3.051 20 30 FGEDMO C[C@@H]1C[N@@H+](C2CC2)CC1=NNC(=S)Nc1ccccc1C(F)(F)F ZINC000755881226 722957975 /nfs/dbraw/zinc/95/79/75/722957975.db2.gz WBAKYGCLPCYEOG-SNVBAGLBSA-N 1 1 356.417 3.462 20 30 FGEDMO C[C@@H]1C[N@H+](C2CC2)CC1=NNC(=S)Nc1ccccc1C(F)(F)F ZINC000755881226 722957976 /nfs/dbraw/zinc/95/79/76/722957976.db2.gz WBAKYGCLPCYEOG-SNVBAGLBSA-N 1 1 356.417 3.462 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1sc2cccc(F)c2c1COC ZINC000756553474 722966716 /nfs/dbraw/zinc/96/67/16/722966716.db2.gz UFGCJETVIHAOSG-CYBMUJFWSA-N 1 1 361.438 3.441 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1sc2cccc(F)c2c1COC ZINC000756553474 722966717 /nfs/dbraw/zinc/96/67/17/722966717.db2.gz UFGCJETVIHAOSG-CYBMUJFWSA-N 1 1 361.438 3.441 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1sc(C)c(Br)c1OC ZINC000756553782 722966769 /nfs/dbraw/zinc/96/67/69/722966769.db2.gz NHJUAULQOORJFY-NSHDSACASA-N 1 1 372.284 3.082 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1sc(C)c(Br)c1OC ZINC000756553782 722966770 /nfs/dbraw/zinc/96/67/70/722966770.db2.gz NHJUAULQOORJFY-NSHDSACASA-N 1 1 372.284 3.082 20 30 FGEDMO CCOc1ccc(OCC)c(NC(=S)NN=C2CCC[N@@H+](C)CC2)c1 ZINC000758120618 722984638 /nfs/dbraw/zinc/98/46/38/722984638.db2.gz ODKWMAUPWOOCCD-UHFFFAOYSA-N 1 1 364.515 3.242 20 30 FGEDMO COc1cccc(O)c1/C=N\C[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000760977097 723109227 /nfs/dbraw/zinc/10/92/27/723109227.db2.gz CGNPYXQQZFATED-OJSPLJLUSA-N 1 1 356.491 3.437 20 30 FGEDMO C=CCN1CC(=O)N(C[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1=O ZINC000761005802 723111981 /nfs/dbraw/zinc/11/19/81/723111981.db2.gz PWFOGQXFNNYVFV-OAHLLOKOSA-N 1 1 365.836 3.066 20 30 FGEDMO CN(C(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)C1(C#N)CCCCC1 ZINC000792904832 723380096 /nfs/dbraw/zinc/38/00/96/723380096.db2.gz MFHMHZGCZCQPIE-HIFRSBDPSA-N 1 1 358.313 3.187 20 30 FGEDMO CN(C(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)C1(C#N)CCCCC1 ZINC000792904832 723380098 /nfs/dbraw/zinc/38/00/98/723380098.db2.gz MFHMHZGCZCQPIE-HIFRSBDPSA-N 1 1 358.313 3.187 20 30 FGEDMO CCCCCCC[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000793793180 723468105 /nfs/dbraw/zinc/46/81/05/723468105.db2.gz TYJDEANVYYWCMT-BZSNNMDCSA-N 1 1 353.551 3.040 20 30 FGEDMO C[C@@H]1CCSCC[N@H+]1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000794570021 723531941 /nfs/dbraw/zinc/53/19/41/723531941.db2.gz COFMARPZUDPRJM-HIFRSBDPSA-N 1 1 352.463 3.051 20 30 FGEDMO Cc1cccc(N=C2NC(=O)/C(=C\c3ncc(C[NH+](C)C)s3)S2)c1 ZINC000794691757 723541199 /nfs/dbraw/zinc/54/11/99/723541199.db2.gz RYAPVWIWUZISEC-RIYZIHGNSA-N 1 1 358.492 3.405 20 30 FGEDMO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000765796814 723541857 /nfs/dbraw/zinc/54/18/57/723541857.db2.gz LVVZUCNQXYJZEZ-KRWDZBQOSA-N 1 1 350.384 3.190 20 30 FGEDMO C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000767203850 723610250 /nfs/dbraw/zinc/61/02/50/723610250.db2.gz IDNHGUIIVXHMRI-KRWDZBQOSA-N 1 1 352.400 3.313 20 30 FGEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H](CC(N)=O)c1ccccc1 ZINC000796529089 723641665 /nfs/dbraw/zinc/64/16/65/723641665.db2.gz AELJDPWYCUZTRS-KRWDZBQOSA-N 1 1 357.841 3.291 20 30 FGEDMO C#CCOc1ccc(C[NH+]2CCN(Cc3csc(CC)n3)CC2)cc1 ZINC000769110789 723677107 /nfs/dbraw/zinc/67/71/07/723677107.db2.gz HQXCBEZSPNXFDR-UHFFFAOYSA-N 1 1 355.507 3.035 20 30 FGEDMO CCc1cnc(N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)s1 ZINC000769404137 723684760 /nfs/dbraw/zinc/68/47/60/723684760.db2.gz OCQJQFGBQXOSPS-HNNXBMFYSA-N 1 1 356.495 3.319 20 30 FGEDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000799124370 723989265 /nfs/dbraw/zinc/98/92/65/723989265.db2.gz SFCSQLFQYODGFP-MRXNPFEDSA-N 1 1 351.491 3.076 20 30 FGEDMO C#C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000775793534 724062575 /nfs/dbraw/zinc/06/25/75/724062575.db2.gz MBZVGLDFLOVVLQ-GXTWGEPZSA-N 1 1 360.763 3.068 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2N=Nc2cc(Cl)nc(N)n2)C1 ZINC000778548766 724343522 /nfs/dbraw/zinc/34/35/22/724343522.db2.gz ICEIRVCRARMMEK-MBNYWOFBSA-N 1 1 350.898 3.401 20 30 FGEDMO COc1cc(OC)c(OC)cc1C[N@@H+](CCO[C@@H](C)C#N)C(C)(C)C ZINC000801928232 724347162 /nfs/dbraw/zinc/34/71/62/724347162.db2.gz NPPBAHWRSRVFPH-AWEZNQCLSA-N 1 1 350.459 3.242 20 30 FGEDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](CCCSCC#N)C2)C1 ZINC000802012288 724353798 /nfs/dbraw/zinc/35/37/98/724353798.db2.gz SWUUILVBGIJAPP-SFHVURJKSA-N 1 1 353.532 3.356 20 30 FGEDMO N#Cc1cccn(C[N@H+](Cc2cccc(Br)c2)CC2CC2)c1=O ZINC000788781190 725087657 /nfs/dbraw/zinc/08/76/57/725087657.db2.gz VGVXSPJJMXQFQK-UHFFFAOYSA-N 1 1 372.266 3.352 20 30 FGEDMO N#Cc1cccn(C[N@@H+](Cc2cccc(Br)c2)CC2CC2)c1=O ZINC000788781190 725087659 /nfs/dbraw/zinc/08/76/59/725087659.db2.gz VGVXSPJJMXQFQK-UHFFFAOYSA-N 1 1 372.266 3.352 20 30 FGEDMO C#Cc1cncc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000806278857 725122536 /nfs/dbraw/zinc/12/25/36/725122536.db2.gz XQTIWSWSTOYCSE-LJQANCHMSA-N 1 1 353.853 3.283 20 30 FGEDMO C[C@H]1C[C@@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[N@H+]1C ZINC000810993057 725339062 /nfs/dbraw/zinc/33/90/62/725339062.db2.gz WAZIRDKHHNZFMN-JSGCOSHPSA-N 1 1 357.845 3.066 20 30 FGEDMO C[NH+]1CCN(c2ccc(NC(=O)c3cscc3C#N)cc2Cl)CC1 ZINC000814408814 726963451 /nfs/dbraw/zinc/96/34/51/726963451.db2.gz YAHWVQJIYOPGKU-UHFFFAOYSA-N 1 1 360.870 3.277 20 30 FGEDMO C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000815652803 727089172 /nfs/dbraw/zinc/08/91/72/727089172.db2.gz UIRFQXZRTLFITP-LLVKDONJSA-N 1 1 359.695 3.414 20 30 FGEDMO C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000815652803 727089176 /nfs/dbraw/zinc/08/91/76/727089176.db2.gz UIRFQXZRTLFITP-LLVKDONJSA-N 1 1 359.695 3.414 20 30 FGEDMO C=CCC(F)(F)C(=O)N(Cc1ccc(O)cc1)C[C@@H]1CCC[N@@H+]1CC ZINC000815875342 727103098 /nfs/dbraw/zinc/10/30/98/727103098.db2.gz RTQPOPGBFBEZCE-INIZCTEOSA-N 1 1 352.425 3.417 20 30 FGEDMO C#CC[N@@H+](C)CCCNC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000818602950 727316329 /nfs/dbraw/zinc/31/63/29/727316329.db2.gz KFSKQIOSQUVOKM-UHFFFAOYSA-N 1 1 357.281 3.224 20 30 FGEDMO C#C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccc(Cl)cc1F ZINC000820755819 729026870 /nfs/dbraw/zinc/02/68/70/729026870.db2.gz RCUFIDWAPCIYEI-RHSMWYFYSA-N 1 1 351.853 3.278 20 30 FGEDMO CC1(C)CN=C(N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)S1 ZINC000824597775 729349618 /nfs/dbraw/zinc/34/96/18/729349618.db2.gz VLMUGUZRCWLWGD-UHFFFAOYSA-N 1 1 354.523 3.241 20 30 FGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000829788699 729512228 /nfs/dbraw/zinc/51/22/28/729512228.db2.gz DRTWZSZYIDNEIH-ZDUSSCGKSA-N 1 1 369.328 3.204 20 30 FGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000832257565 729700141 /nfs/dbraw/zinc/70/01/41/729700141.db2.gz JRVWZUZOGVYCMR-SQNIBIBYSA-N 1 1 352.519 3.283 20 30 FGEDMO Fc1ccc2c(c1Br)CCC2=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000834967093 729848521 /nfs/dbraw/zinc/84/85/21/729848521.db2.gz XOHNVAGAWQDRCQ-KBPBESRZSA-N 1 1 365.250 3.099 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)N(CC)Cc1ccc(C(F)(F)F)cc1 ZINC000836488183 729957553 /nfs/dbraw/zinc/95/75/53/729957553.db2.gz NDMLIDYDTRXCQO-UHFFFAOYSA-N 1 1 355.404 3.192 20 30 FGEDMO CN(C)c1[nH+]cc(/C=C2\CCc3c(Br)cccc3C2=O)n1C ZINC000840720530 730165647 /nfs/dbraw/zinc/16/56/47/730165647.db2.gz OAAYOPMEXGUDNO-PKNBQFBNSA-N 1 1 360.255 3.461 20 30 FGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462104 730722209 /nfs/dbraw/zinc/72/22/09/730722209.db2.gz VXEIDEMYHYHEJL-KURKYZTESA-N 1 1 350.503 3.327 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846005991 730917691 /nfs/dbraw/zinc/91/76/91/730917691.db2.gz FIRILHKXGIFJSO-IBGZPJMESA-N 1 1 354.837 3.389 20 30 FGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846005991 730917692 /nfs/dbraw/zinc/91/76/92/730917692.db2.gz FIRILHKXGIFJSO-IBGZPJMESA-N 1 1 354.837 3.389 20 30 FGEDMO C=CCCn1cc(C[NH2+][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)nn1 ZINC000850170115 731328343 /nfs/dbraw/zinc/32/83/43/731328343.db2.gz XGXBEQYDXZILDN-BDJLRTHQSA-N 1 1 355.269 3.373 20 30 FGEDMO C=C(Br)CNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000852797472 731636487 /nfs/dbraw/zinc/63/64/87/731636487.db2.gz UDSBKXFXRRNHNC-LLVKDONJSA-N 1 1 352.059 3.279 20 30 FGEDMO Cn1c(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c(Br)c2ccccc21 ZINC000853324398 731694889 /nfs/dbraw/zinc/69/48/89/731694889.db2.gz DXQIYNDOOJLVON-CHWSQXEVSA-N 1 1 374.286 3.135 20 30 FGEDMO CCCCCCC[C@H](C)CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853467853 731707640 /nfs/dbraw/zinc/70/76/40/731707640.db2.gz QNVPSWRBYUSYST-PKOBYXMFSA-N 1 1 353.551 3.224 20 30 FGEDMO C[N@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1Cl ZINC000859858159 732406749 /nfs/dbraw/zinc/40/67/49/732406749.db2.gz MCVSYBLOHREPTM-UHFFFAOYSA-N 1 1 367.877 3.185 20 30 FGEDMO C[N@@H+](CCOCCNC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1Cl ZINC000859858159 732406753 /nfs/dbraw/zinc/40/67/53/732406753.db2.gz MCVSYBLOHREPTM-UHFFFAOYSA-N 1 1 367.877 3.185 20 30 FGEDMO C#CCCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000859956345 732423001 /nfs/dbraw/zinc/42/30/01/732423001.db2.gz HRORIFKHSISLGK-QZTJIDSGSA-N 1 1 354.475 3.315 20 30 FGEDMO N#CCSCCCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000860425633 732512194 /nfs/dbraw/zinc/51/21/94/732512194.db2.gz MLNYWRJGPBJDOU-GOSISDBHSA-N 1 1 358.507 3.479 20 30 FGEDMO C[N@@H+]1CCC(=NNCC(C)(C)CO)C[C@@H]1c1ccc(Br)cc1 ZINC000863111346 732915467 /nfs/dbraw/zinc/91/54/67/732915467.db2.gz XWROHZQLBCFBTP-MRXNPFEDSA-N 1 1 368.319 3.180 20 30 FGEDMO C[N@H+]1CCC(=NNCC(C)(C)CO)C[C@@H]1c1ccc(Br)cc1 ZINC000863111346 732915470 /nfs/dbraw/zinc/91/54/70/732915470.db2.gz XWROHZQLBCFBTP-MRXNPFEDSA-N 1 1 368.319 3.180 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1sccc1CC#N)C1CC1 ZINC000867512148 733490577 /nfs/dbraw/zinc/49/05/77/733490577.db2.gz FNLIZNVAWOCFLR-SFHVURJKSA-N 1 1 353.491 3.455 20 30 FGEDMO C[N@@H+](Cn1ccc(=O)c2cccc(Br)c21)[C@@H]1CCC[C@@H]1C#N ZINC000872683207 735660599 /nfs/dbraw/zinc/66/05/99/735660599.db2.gz CFSMCPBKLKOQJZ-IUODEOHRSA-N 1 1 360.255 3.346 20 30 FGEDMO N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000876880157 736157373 /nfs/dbraw/zinc/15/73/73/736157373.db2.gz QMUGCHNLYALQBR-UHFFFAOYSA-N 1 1 354.841 3.132 20 30 FGEDMO COC1CCN(C2(C[NH2+]Cc3cc(C#N)cnc3Cl)CCCC2)CC1 ZINC000877047113 736180103 /nfs/dbraw/zinc/18/01/03/736180103.db2.gz WWQSKRPWARQJAN-UHFFFAOYSA-N 1 1 362.905 3.120 20 30 FGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000877962118 736750511 /nfs/dbraw/zinc/75/05/11/736750511.db2.gz YWKPWTNWDBLSIL-CQSZACIVSA-N 1 1 364.243 3.254 20 30 FGEDMO C=CC[C@H](C(=O)OC)[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000878202962 736788962 /nfs/dbraw/zinc/78/89/62/736788962.db2.gz GHJFFMINMZNLPA-MRXNPFEDSA-N 1 1 364.511 3.182 20 30 FGEDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2CCCSCC#N)C1 ZINC000879702441 737035317 /nfs/dbraw/zinc/03/53/17/737035317.db2.gz ZUGCQBNKXOWDCV-HOTGVXAUSA-N 1 1 353.532 3.355 20 30 FGEDMO CCOC(=O)c1csc(CC2CC[NH+](Cc3ccc(C#N)o3)CC2)n1 ZINC000880263702 737143880 /nfs/dbraw/zinc/14/38/80/737143880.db2.gz QODFBBFMMNJHLB-UHFFFAOYSA-N 1 1 359.451 3.239 20 30 FGEDMO COc1cc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)ccc1OC(F)F ZINC000885946637 739202388 /nfs/dbraw/zinc/20/23/88/739202388.db2.gz NFMUQAYVGYLHMD-CQSZACIVSA-N 1 1 354.397 3.173 20 30 FGEDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)n1 ZINC000886698836 739286800 /nfs/dbraw/zinc/28/68/00/739286800.db2.gz NXASMNUWOIUNTK-JTDSTZFVSA-N 1 1 362.543 3.149 20 30 FGEDMO C=CCC1(O)CC[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000886763731 739293624 /nfs/dbraw/zinc/29/36/24/739293624.db2.gz CWTJEKUNMYFPKN-UHFFFAOYSA-N 1 1 358.463 3.442 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(SC)c(C#N)c2)[C@H](C)C1 ZINC000890451689 739800834 /nfs/dbraw/zinc/80/08/34/739800834.db2.gz CYNYFNZBMRUAPF-PBHICJAKSA-N 1 1 360.527 3.152 20 30 FGEDMO N#Cc1cccc(C2([NH2+]Cc3sc(N4CCOCC4)nc3Cl)CC2)c1 ZINC000894357817 742272966 /nfs/dbraw/zinc/27/29/66/742272966.db2.gz AXZBKOCSZBOVLV-UHFFFAOYSA-N 1 1 374.897 3.284 20 30 FGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894417297 742280273 /nfs/dbraw/zinc/28/02/73/742280273.db2.gz LCPJZHCOVWQFTK-ROUUACIJSA-N 1 1 351.466 3.476 20 30 FGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894417297 742280277 /nfs/dbraw/zinc/28/02/77/742280277.db2.gz LCPJZHCOVWQFTK-ROUUACIJSA-N 1 1 351.466 3.476 20 30 FGEDMO N#Cc1ccc([C@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CCO2)cc1 ZINC000897595619 742693920 /nfs/dbraw/zinc/69/39/20/742693920.db2.gz DKMHVGYHSFRMMJ-LJQANCHMSA-N 1 1 350.447 3.379 20 30 FGEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CCO2)cc1 ZINC000897595619 742693922 /nfs/dbraw/zinc/69/39/22/742693922.db2.gz DKMHVGYHSFRMMJ-LJQANCHMSA-N 1 1 350.447 3.379 20 30 FGEDMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000900697746 743150561 /nfs/dbraw/zinc/15/05/61/743150561.db2.gz BXEMLUAVOFTMGA-KBPBESRZSA-N 1 1 350.260 3.003 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000900697746 743150565 /nfs/dbraw/zinc/15/05/65/743150565.db2.gz BXEMLUAVOFTMGA-KBPBESRZSA-N 1 1 350.260 3.003 20 30 FGEDMO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c1O ZINC000903263874 743831908 /nfs/dbraw/zinc/83/19/08/743831908.db2.gz ORPLKQOGTHOTFI-MRVPVSSYSA-N 1 1 368.256 3.342 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1(C#N)CCSCC1 ZINC000904595533 743963828 /nfs/dbraw/zinc/96/38/28/743963828.db2.gz JCXUKJZPGGBHIW-GOSISDBHSA-N 1 1 359.539 3.296 20 30 FGEDMO C[C@@]1(CNC(=O)C2(C#N)CCSCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000935793411 761944038 /nfs/dbraw/zinc/94/40/38/761944038.db2.gz CXRLQFWZDRJIQW-IBGZPJMESA-N 1 1 357.523 3.052 20 30 FGEDMO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)CC[C@@H]2C1 ZINC000946642978 762258099 /nfs/dbraw/zinc/25/80/99/762258099.db2.gz XZNAMELGMRETOJ-TWMKSMIVSA-N 1 1 356.432 3.159 20 30 FGEDMO C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)O1 ZINC000948792990 762348400 /nfs/dbraw/zinc/34/84/00/762348400.db2.gz ILJBXYHINASEDK-IIDMSEBBSA-N 1 1 361.511 3.000 20 30 FGEDMO N#CC1(c2ccccn2)CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000930332824 760581314 /nfs/dbraw/zinc/58/13/14/760581314.db2.gz IWSQXYBSEOMWOD-GOEBONIOSA-N 1 1 353.388 3.439 20 30 FGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000930342135 760583418 /nfs/dbraw/zinc/58/34/18/760583418.db2.gz BDKWGMHOLVODJB-HNNXBMFYSA-N 1 1 353.388 3.401 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000930342135 760583426 /nfs/dbraw/zinc/58/34/26/760583426.db2.gz BDKWGMHOLVODJB-HNNXBMFYSA-N 1 1 353.388 3.401 20 30 FGEDMO COC(=O)c1cc(C2CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)no1 ZINC000931508013 760878024 /nfs/dbraw/zinc/87/80/24/760878024.db2.gz BBQSWBJJAURKRA-UHFFFAOYSA-N 1 1 359.813 3.366 20 30 FGEDMO FC(F)(F)COc1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)nn1 ZINC000931910132 761000913 /nfs/dbraw/zinc/00/09/13/761000913.db2.gz CFHKEANUQBXHFQ-LLVKDONJSA-N 1 1 373.272 3.284 20 30 FGEDMO FC(F)(F)COc1ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)nn1 ZINC000931910132 761000925 /nfs/dbraw/zinc/00/09/25/761000925.db2.gz CFHKEANUQBXHFQ-LLVKDONJSA-N 1 1 373.272 3.284 20 30 FGEDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Br)C2)n1 ZINC000932133563 761062997 /nfs/dbraw/zinc/06/29/97/761062997.db2.gz SHBXYMANFYHXOX-HNNXBMFYSA-N 1 1 359.271 3.434 20 30 FGEDMO Cn1ccc(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)n1 ZINC000932142083 761067911 /nfs/dbraw/zinc/06/79/11/761067911.db2.gz JBUCWTVABDJRDZ-UHFFFAOYSA-N 1 1 359.271 3.434 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932202622 761084626 /nfs/dbraw/zinc/08/46/26/761084626.db2.gz IURSLMBIQHUAGY-HZPDHXFCSA-N 1 1 360.527 3.129 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932202622 761084640 /nfs/dbraw/zinc/08/46/40/761084640.db2.gz IURSLMBIQHUAGY-HZPDHXFCSA-N 1 1 360.527 3.129 20 30 FGEDMO N#CCSCCC[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000932808841 761249767 /nfs/dbraw/zinc/24/97/67/761249767.db2.gz GZPOTOLODQAOTN-INIZCTEOSA-N 1 1 369.328 3.379 20 30 FGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)c1 ZINC000932816682 761251729 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CCC[N@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1ccc(C#N)cc1 ZINC000052825569 494065698 /nfs/dbraw/zinc/06/56/98/494065698.db2.gz DPSVPNJWMUJHBS-UHFFFAOYSA-N 1 1 367.449 3.426 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1cc(OC)ccc1OC)Cc1ccc(C#N)cc1 ZINC000052825569 494065704 /nfs/dbraw/zinc/06/57/04/494065704.db2.gz DPSVPNJWMUJHBS-UHFFFAOYSA-N 1 1 367.449 3.426 20 30 FGEDMO CCC[N@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1ccc(C#N)cc1 ZINC000052825663 494066050 /nfs/dbraw/zinc/06/60/50/494066050.db2.gz WYIQLGHGDMKYAZ-UHFFFAOYSA-N 1 1 365.433 3.196 20 30 FGEDMO CCC[N@@H+](CC(=O)Nc1cccc(C(=O)OC)c1)Cc1ccc(C#N)cc1 ZINC000052825663 494066053 /nfs/dbraw/zinc/06/60/53/494066053.db2.gz WYIQLGHGDMKYAZ-UHFFFAOYSA-N 1 1 365.433 3.196 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C(C)C)C1CCC1 ZINC000077357970 494066756 /nfs/dbraw/zinc/06/67/56/494066756.db2.gz BGJIYOHYOWPYHU-UHFFFAOYSA-N 1 1 360.502 3.215 20 30 FGEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCCC2(C)C)c1C#N ZINC000077382592 494071963 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/nfs/dbraw/zinc/24/60/04/494246004.db2.gz OKHJZLDVKBLHBG-GJZGRUSLSA-N 1 1 374.554 3.242 20 30 FGEDMO Cc1ccc(C)c(OCCC[NH+]2CCN(c3ncccc3C#N)CC2)c1 ZINC000078256088 494264272 /nfs/dbraw/zinc/26/42/72/494264272.db2.gz HTKYSXVFPWRQCU-UHFFFAOYSA-N 1 1 350.466 3.161 20 30 FGEDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000073095958 494321687 /nfs/dbraw/zinc/32/16/87/494321687.db2.gz GDNARIOVCONHJC-IBGZPJMESA-N 1 1 351.406 3.010 20 30 FGEDMO CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000073095958 494321690 /nfs/dbraw/zinc/32/16/90/494321690.db2.gz GDNARIOVCONHJC-IBGZPJMESA-N 1 1 351.406 3.010 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000078674913 494342155 /nfs/dbraw/zinc/34/21/55/494342155.db2.gz VBJQYPXORLPMDT-GOSISDBHSA-N 1 1 350.422 3.425 20 30 FGEDMO COc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000016500839 494392787 /nfs/dbraw/zinc/39/27/87/494392787.db2.gz FIAFJDZQMGBXQC-UHFFFAOYSA-N 1 1 364.449 3.307 20 30 FGEDMO COc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000016500839 494392790 /nfs/dbraw/zinc/39/27/90/494392790.db2.gz FIAFJDZQMGBXQC-UHFFFAOYSA-N 1 1 364.449 3.307 20 30 FGEDMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000016592541 494395174 /nfs/dbraw/zinc/39/51/74/494395174.db2.gz TWOFLBYAXHWVKY-UHFFFAOYSA-N 1 1 370.449 3.339 20 30 FGEDMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000016592541 494395178 /nfs/dbraw/zinc/39/51/78/494395178.db2.gz TWOFLBYAXHWVKY-UHFFFAOYSA-N 1 1 370.449 3.339 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000073649457 494407866 /nfs/dbraw/zinc/40/78/66/494407866.db2.gz XXTOUKSTTYRJTE-RBBKRZOGSA-N 1 1 350.462 3.445 20 30 FGEDMO CC[C@@H](C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000568557972 505721715 /nfs/dbraw/zinc/72/17/15/505721715.db2.gz MDNWEMIBGWQTDP-MRXNPFEDSA-N 1 1 357.479 3.028 20 30 FGEDMO CC[C@@H](C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000568557972 505721719 /nfs/dbraw/zinc/72/17/19/505721719.db2.gz MDNWEMIBGWQTDP-MRXNPFEDSA-N 1 1 357.479 3.028 20 30 FGEDMO COc1ccccc1[C@@H](CNC(=O)c1cccc(SCC#N)c1)[NH+](C)C ZINC000079525973 494473077 /nfs/dbraw/zinc/47/30/77/494473077.db2.gz WOJDSXSKBNWPCO-GOSISDBHSA-N 1 1 369.490 3.344 20 30 FGEDMO C[C@@H]1C[C@@H](NC(=O)COc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000079556022 494480689 /nfs/dbraw/zinc/48/06/89/494480689.db2.gz YYEKOYNBRKTHNF-XLIONFOSSA-N 1 1 363.461 3.106 20 30 FGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000090619110 494488094 /nfs/dbraw/zinc/48/80/94/494488094.db2.gz GELJLCJVUIAIOA-XLIONFOSSA-N 1 1 368.477 3.117 20 30 FGEDMO C[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1cccc(C#N)c1 ZINC000046518275 494534815 /nfs/dbraw/zinc/53/48/15/494534815.db2.gz IHLMSQBBHMGCGB-UHFFFAOYSA-N 1 1 365.355 3.174 20 30 FGEDMO C[N@@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1cccc(C#N)c1 ZINC000046518275 494534817 /nfs/dbraw/zinc/53/48/17/494534817.db2.gz IHLMSQBBHMGCGB-UHFFFAOYSA-N 1 1 365.355 3.174 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518847 494534950 /nfs/dbraw/zinc/53/49/50/494534950.db2.gz JISLSEUGGJHHCQ-MRXNPFEDSA-N 1 1 364.424 3.465 20 30 FGEDMO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518847 494534955 /nfs/dbraw/zinc/53/49/55/494534955.db2.gz JISLSEUGGJHHCQ-MRXNPFEDSA-N 1 1 364.424 3.465 20 30 FGEDMO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529826 494536046 /nfs/dbraw/zinc/53/60/46/494536046.db2.gz KPAFKAPZERKCSO-JKSUJKDBSA-N 1 1 351.450 3.265 20 30 FGEDMO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529826 494536051 /nfs/dbraw/zinc/53/60/51/494536051.db2.gz KPAFKAPZERKCSO-JKSUJKDBSA-N 1 1 351.450 3.265 20 30 FGEDMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000079955599 494557601 /nfs/dbraw/zinc/55/76/01/494557601.db2.gz IUGJMFYDEDYWNH-AWEZNQCLSA-N 1 1 357.404 3.488 20 30 FGEDMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000079955599 494557606 /nfs/dbraw/zinc/55/76/06/494557606.db2.gz IUGJMFYDEDYWNH-AWEZNQCLSA-N 1 1 357.404 3.488 20 30 FGEDMO C=CC[N@H+](C)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000121132050 494610520 /nfs/dbraw/zinc/61/05/20/494610520.db2.gz CMHXIJGTCCKVLD-UHFFFAOYSA-N 1 1 367.449 3.394 20 30 FGEDMO C[C@H]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000047036445 494623273 /nfs/dbraw/zinc/62/32/73/494623273.db2.gz JTPMQIOBDCBVOX-FXAWDEMLSA-N 1 1 354.498 3.354 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000126242670 494684145 /nfs/dbraw/zinc/68/41/45/494684145.db2.gz UJGIZEMTGLFUKD-HXUWFJFHSA-N 1 1 350.462 3.357 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000126242670 494684151 /nfs/dbraw/zinc/68/41/51/494684151.db2.gz UJGIZEMTGLFUKD-HXUWFJFHSA-N 1 1 350.462 3.357 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000131658912 494689090 /nfs/dbraw/zinc/68/90/90/494689090.db2.gz WHYPVGQZILCJBY-GOSISDBHSA-N 1 1 368.525 3.450 20 30 FGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000131658912 494689096 /nfs/dbraw/zinc/68/90/96/494689096.db2.gz WHYPVGQZILCJBY-GOSISDBHSA-N 1 1 368.525 3.450 20 30 FGEDMO CC[N@@H+](C[C@H](O)COc1ccc2c(c1)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000067966455 494712869 /nfs/dbraw/zinc/71/28/69/494712869.db2.gz FPKIMRALMCZVTB-YJBOKZPZSA-N 1 1 368.433 3.110 20 30 FGEDMO C=CCOc1ccc(C[N@H+](CCC(=O)N2CCOCC2)C(C)(C)C)cc1 ZINC000131816835 494741968 /nfs/dbraw/zinc/74/19/68/494741968.db2.gz PLMWWQMJLNDEDF-UHFFFAOYSA-N 1 1 360.498 3.101 20 30 FGEDMO Cc1cccc(C[NH+]2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)c1 ZINC000075436706 494763801 /nfs/dbraw/zinc/76/38/01/494763801.db2.gz WSJAOWCOWNJDNS-UHFFFAOYSA-N 1 1 366.440 3.033 20 30 FGEDMO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000108859290 494796789 /nfs/dbraw/zinc/79/67/89/494796789.db2.gz MMIWZTWOBSULSY-BMQTXXJKSA-N 1 1 371.525 3.444 20 30 FGEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3c3cccc4c3OCCO4)n2c1 ZINC000092968646 494797630 /nfs/dbraw/zinc/79/76/30/494797630.db2.gz FJGCCVOPMCGZSL-SFHVURJKSA-N 1 1 360.417 3.314 20 30 FGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3cccc4c3OCCO4)n2c1 ZINC000092968646 494797634 /nfs/dbraw/zinc/79/76/34/494797634.db2.gz FJGCCVOPMCGZSL-SFHVURJKSA-N 1 1 360.417 3.314 20 30 FGEDMO CCC[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)Cc1ccc(C#N)cc1 ZINC000075626831 494804104 /nfs/dbraw/zinc/80/41/04/494804104.db2.gz PZWXHDJISZPKAZ-UHFFFAOYSA-N 1 1 372.490 3.253 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026330760 494819285 /nfs/dbraw/zinc/81/92/85/494819285.db2.gz PIJUZTFLMLMXOQ-CYBMUJFWSA-N 1 1 364.474 3.439 20 30 FGEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026330760 494819287 /nfs/dbraw/zinc/81/92/87/494819287.db2.gz PIJUZTFLMLMXOQ-CYBMUJFWSA-N 1 1 364.474 3.439 20 30 FGEDMO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000026330022 494819301 /nfs/dbraw/zinc/81/93/01/494819301.db2.gz ACELNANYWSWZFN-CQSZACIVSA-N 1 1 352.394 3.234 20 30 FGEDMO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000026330022 494819303 /nfs/dbraw/zinc/81/93/03/494819303.db2.gz ACELNANYWSWZFN-CQSZACIVSA-N 1 1 352.394 3.234 20 30 FGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1F ZINC000121672816 494835607 /nfs/dbraw/zinc/83/56/07/494835607.db2.gz IYAMKENXIKXMCI-QGZVFWFLSA-N 1 1 351.425 3.339 20 30 FGEDMO Cc1nc(C[NH+]2CCC(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)CC2)cs1 ZINC000116811349 494856241 /nfs/dbraw/zinc/85/62/41/494856241.db2.gz AUWSXVISUHUPIZ-KUHUBIRLSA-N 1 1 360.527 3.252 20 30 FGEDMO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000121781724 494858787 /nfs/dbraw/zinc/85/87/87/494858787.db2.gz CDEPVRXWHGGSCP-ZDUSSCGKSA-N 1 1 356.388 3.342 20 30 FGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000109356407 494863689 /nfs/dbraw/zinc/86/36/89/494863689.db2.gz TUHYYWMVXMGZAY-UHFFFAOYSA-N 1 1 351.450 3.314 20 30 FGEDMO 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C[C@@H]1C[C@@H](CNCc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000120332361 495353986 /nfs/dbraw/zinc/35/39/86/495353986.db2.gz AQAUHZKFLUMHDW-XLIONFOSSA-N 1 1 359.477 3.206 20 30 FGEDMO CCN1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000130305589 495370660 /nfs/dbraw/zinc/37/06/60/495370660.db2.gz WMXZCSFIWWZFPS-GOSISDBHSA-N 1 1 356.514 3.013 20 30 FGEDMO CCN1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000130305381 495370853 /nfs/dbraw/zinc/37/08/53/495370853.db2.gz WMXZCSFIWWZFPS-SFHVURJKSA-N 1 1 356.514 3.013 20 30 FGEDMO CC(C)[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000114729327 495417833 /nfs/dbraw/zinc/41/78/33/495417833.db2.gz PFYVKOHIMLADHR-KRWDZBQOSA-N 1 1 365.481 3.441 20 30 FGEDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000114729327 495417834 /nfs/dbraw/zinc/41/78/34/495417834.db2.gz PFYVKOHIMLADHR-KRWDZBQOSA-N 1 1 365.481 3.441 20 30 FGEDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000114746015 495420403 /nfs/dbraw/zinc/42/04/03/495420403.db2.gz JMYBYKUKYZAHHD-AUUYWEPGSA-N 1 1 365.433 3.032 20 30 FGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 ZINC000125336121 495427453 /nfs/dbraw/zinc/42/74/53/495427453.db2.gz NEIURKUGUIIRNU-CVEARBPZSA-N 1 1 351.454 3.193 20 30 FGEDMO C[N@H+]1CCC[C@@H]2CN(CC(=O)c3cn(CCC#N)c4ccccc34)CC[C@@H]21 ZINC000139832827 495484084 /nfs/dbraw/zinc/48/40/84/495484084.db2.gz PVPWDJMEQBVPPA-XLIONFOSSA-N 1 1 364.493 3.154 20 30 FGEDMO Cc1nc(SCC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(C#N)c(C)c1C ZINC000106789745 495496764 /nfs/dbraw/zinc/49/67/64/495496764.db2.gz IJNDQADAVXDIDK-INIZCTEOSA-N 1 1 372.538 3.104 20 30 FGEDMO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106790341 495497418 /nfs/dbraw/zinc/49/74/18/495497418.db2.gz NLYPSLDJYZQEMM-PXNSSMCTSA-N 1 1 355.482 3.095 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158562149 495538298 /nfs/dbraw/zinc/53/82/98/495538298.db2.gz LAWLYZYZUQFJKU-QFIPXVFZSA-N 1 1 361.445 3.061 20 30 FGEDMO C[C@H]1CCN(C(=O)COc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000173529758 495576628 /nfs/dbraw/zinc/57/66/28/495576628.db2.gz JVLYOABNCKANGZ-SFHVURJKSA-N 1 1 363.461 3.060 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCN(c4ccccc4)CC3)o2)cc1 ZINC000173553691 495585289 /nfs/dbraw/zinc/58/52/89/495585289.db2.gz OSJXTJLNIGULOB-UHFFFAOYSA-N 1 1 359.433 3.321 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCN(c4ccccc4)CC3)o2)cc1 ZINC000173553691 495585292 /nfs/dbraw/zinc/58/52/92/495585292.db2.gz OSJXTJLNIGULOB-UHFFFAOYSA-N 1 1 359.433 3.321 20 30 FGEDMO CCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000176321641 495598557 /nfs/dbraw/zinc/59/85/57/495598557.db2.gz WZLFVROKVVIEHZ-RBUKOAKNSA-N 1 1 357.498 3.297 20 30 FGEDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000176394219 495633861 /nfs/dbraw/zinc/63/38/61/495633861.db2.gz MXJWHSZJSKBLLG-CALCHBBNSA-N 1 1 370.497 3.301 20 30 FGEDMO CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C#N)[nH]1 ZINC000159293086 495703153 /nfs/dbraw/zinc/70/31/53/495703153.db2.gz QZVWUFNYZHWBQN-IBGZPJMESA-N 1 1 350.466 3.089 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H](N3CCC[N@H+](C4CCCC4)CC3)C2=O)cc1 ZINC000182803708 495708802 /nfs/dbraw/zinc/70/88/02/495708802.db2.gz NSTZUCUIKOALKC-NRFANRHFSA-N 1 1 366.509 3.004 20 30 FGEDMO N#Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1Br ZINC000580619766 505799121 /nfs/dbraw/zinc/79/91/21/505799121.db2.gz RSRXKPYBQKZJSM-CQSZACIVSA-N 1 1 362.271 3.067 20 30 FGEDMO C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182845348 495725908 /nfs/dbraw/zinc/72/59/08/495725908.db2.gz XJWAPNYSCUSCAC-QFBILLFUSA-N 1 1 354.498 3.353 20 30 FGEDMO N#Cc1cc(F)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c(F)c1 ZINC000151091782 495734397 /nfs/dbraw/zinc/73/43/97/495734397.db2.gz KMUBICHBRPWDGY-MRXNPFEDSA-N 1 1 359.376 3.386 20 30 FGEDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000154817717 495737136 /nfs/dbraw/zinc/73/71/36/495737136.db2.gz FGIPQAFOSJOCTC-RCMYXZNBSA-N 1 1 353.466 3.077 20 30 FGEDMO C=CCc1cc(C[NH2+]Cc2nc3cc(OC)ccc3n2C)cc(OC)c1O ZINC000185831375 495742040 /nfs/dbraw/zinc/74/20/40/495742040.db2.gz HTXSMFIOIHBYMP-UHFFFAOYSA-N 1 1 367.449 3.314 20 30 FGEDMO C[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000182891090 495744482 /nfs/dbraw/zinc/74/44/82/495744482.db2.gz RCXFUOTZBUFPLO-OAHLLOKOSA-N 1 1 365.502 3.480 20 30 FGEDMO C[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)[N@H+]1CCc2sccc2C1 ZINC000182891090 495744484 /nfs/dbraw/zinc/74/44/84/495744484.db2.gz RCXFUOTZBUFPLO-OAHLLOKOSA-N 1 1 365.502 3.480 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000151140351 495751777 /nfs/dbraw/zinc/75/17/77/495751777.db2.gz RMDWTZYTRNKHIM-UTKZUKDTSA-N 1 1 368.525 3.061 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154879618 495759917 /nfs/dbraw/zinc/75/99/17/495759917.db2.gz NVCIPIJSZCVDPR-HKUYNNGSSA-N 1 1 354.498 3.294 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154879618 495759919 /nfs/dbraw/zinc/75/99/19/495759919.db2.gz NVCIPIJSZCVDPR-HKUYNNGSSA-N 1 1 354.498 3.294 20 30 FGEDMO C[C@H](Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1 ZINC000173983041 495775568 /nfs/dbraw/zinc/77/55/68/495775568.db2.gz FGFXYCUHDOIYCN-KRWDZBQOSA-N 1 1 362.477 3.048 20 30 FGEDMO CCOCc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)ccc1OC ZINC000179960330 495801908 /nfs/dbraw/zinc/80/19/08/495801908.db2.gz OPBBJRVXHCPVNG-UHFFFAOYSA-N 1 1 365.477 3.426 20 30 FGEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180084854 495850485 /nfs/dbraw/zinc/85/04/85/495850485.db2.gz OWSWXIKFHQKBPP-FCEWJHQRSA-N 1 1 368.481 3.458 20 30 FGEDMO C#CCOc1cc(F)ccc1NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000155142710 495852467 /nfs/dbraw/zinc/85/24/67/495852467.db2.gz MBUGSQMJZWWNEM-UHFFFAOYSA-N 1 1 367.424 3.396 20 30 FGEDMO N#Cc1cc(F)c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000155231588 495884247 /nfs/dbraw/zinc/88/42/47/495884247.db2.gz ULLCIQCAMRWFQP-UHFFFAOYSA-N 1 1 355.388 3.015 20 30 FGEDMO N#Cc1ccc(CNCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000174368463 495930065 /nfs/dbraw/zinc/93/00/65/495930065.db2.gz JGGNYBSQMVFCMQ-UHFFFAOYSA-N 1 1 358.873 3.107 20 30 FGEDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000155382564 495940642 /nfs/dbraw/zinc/94/06/42/495940642.db2.gz SLPCYWVBBNXJNA-UHFFFAOYSA-N 1 1 370.415 3.467 20 30 FGEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)cc1OC ZINC000155402701 495946907 /nfs/dbraw/zinc/94/69/07/495946907.db2.gz TXCRNLSHYJTRGA-MOPGFXCFSA-N 1 1 352.434 3.446 20 30 FGEDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC000568947558 505814321 /nfs/dbraw/zinc/81/43/21/505814321.db2.gz WOSFPYNOZXQACU-IBGZPJMESA-N 1 1 359.433 3.305 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cc1c(F)cccc1C#N ZINC000571785588 505814990 /nfs/dbraw/zinc/81/49/90/505814990.db2.gz WUBYMOYXROPPDT-HRAATJIYSA-N 1 1 365.452 3.267 20 30 FGEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)nc1 ZINC000174598998 496027378 /nfs/dbraw/zinc/02/73/78/496027378.db2.gz PHNHGSIXGXDHLE-INIZCTEOSA-N 1 1 352.413 3.252 20 30 FGEDMO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180556949 496043099 /nfs/dbraw/zinc/04/30/99/496043099.db2.gz LUFDNIABECKZKI-IUODEOHRSA-N 1 1 359.367 3.417 20 30 FGEDMO C[C@@]1(CNc2nccc(C#N)c2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000160800093 496044670 /nfs/dbraw/zinc/04/46/70/496044670.db2.gz XHBXHAIBUGNSAR-IBGZPJMESA-N 1 1 351.410 3.328 20 30 FGEDMO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)CC2CCOCC2)ccc1Cl ZINC000155740797 496053385 /nfs/dbraw/zinc/05/33/85/496053385.db2.gz OJNSKQPUUKIUMD-UHFFFAOYSA-N 1 1 363.889 3.254 20 30 FGEDMO COCC[N@H+]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C[C@@H]1C ZINC000174735523 496082262 /nfs/dbraw/zinc/08/22/62/496082262.db2.gz NLUMPMXDIFKOPA-LBPRGKRZSA-N 1 1 362.836 3.056 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186640490 496085784 /nfs/dbraw/zinc/08/57/84/496085784.db2.gz NPEFSOAMPDUPQU-NRFANRHFSA-N 1 1 350.418 3.077 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC2CCOCC2)c1 ZINC000155911674 496104465 /nfs/dbraw/zinc/10/44/65/496104465.db2.gz QVNFMGNAWBDVCS-GOSISDBHSA-N 1 1 357.498 3.297 20 30 FGEDMO N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)o1 ZINC000183811109 496123429 /nfs/dbraw/zinc/12/34/29/496123429.db2.gz MTANYPIRTAVPHK-CYBMUJFWSA-N 1 1 363.339 3.061 20 30 FGEDMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1 ZINC000152372322 496129940 /nfs/dbraw/zinc/12/99/40/496129940.db2.gz SNCZWVSDDLRRQO-UHFFFAOYSA-N 1 1 363.465 3.310 20 30 FGEDMO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(C)c1OC ZINC000580739323 505826368 /nfs/dbraw/zinc/82/63/68/505826368.db2.gz KEPHPISLIQWYQA-HXUWFJFHSA-N 1 1 365.477 3.395 20 30 FGEDMO C[NH+](C)[C@@H]1CCC[C@H](NCc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000175013405 496207012 /nfs/dbraw/zinc/20/70/12/496207012.db2.gz FMVOPHHMJAFZHS-VQTJNVASSA-N 1 1 351.498 3.426 20 30 FGEDMO C=CCOCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156640889 496300435 /nfs/dbraw/zinc/30/04/35/496300435.db2.gz NWLGCEDCDNTUQA-LEWJYISDSA-N 1 1 356.510 3.482 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000172470115 496308584 /nfs/dbraw/zinc/30/85/84/496308584.db2.gz DSQWIIRLOYRFLA-UHFFFAOYSA-N 1 1 370.497 3.085 20 30 FGEDMO Cc1cccc(NC2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)c1 ZINC000153007657 496324160 /nfs/dbraw/zinc/32/41/60/496324160.db2.gz PUKMNIVEFMZFKN-UHFFFAOYSA-N 1 1 354.498 3.214 20 30 FGEDMO C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000178141112 496344926 /nfs/dbraw/zinc/34/49/26/496344926.db2.gz IHNPOEMJCKKHCV-KRWDZBQOSA-N 1 1 355.482 3.196 20 30 FGEDMO C[C@H]1[C@H](NC(=O)NCc2ccc(C#N)s2)CC[N@H+]1Cc1ccccc1 ZINC000578003630 505839261 /nfs/dbraw/zinc/83/92/61/505839261.db2.gz NZWHJIPDBICPHY-KBXCAEBGSA-N 1 1 354.479 3.082 20 30 FGEDMO C=CCN(CC=C)C(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157009741 496384985 /nfs/dbraw/zinc/38/49/85/496384985.db2.gz YGKFVHPPLYFVMD-CTNGQTDRSA-N 1 1 355.526 3.172 20 30 FGEDMO C=CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000578017458 505842554 /nfs/dbraw/zinc/84/25/54/505842554.db2.gz ACDCJJAQYCTVFH-SFHVURJKSA-N 1 1 367.497 3.024 20 30 FGEDMO COc1cc(C)c(C[N@@H+](C)CCOc2ccc(C#N)cc2OC)cc1OC ZINC000157349371 496460096 /nfs/dbraw/zinc/46/00/96/496460096.db2.gz MALPQKVJEQQWDP-UHFFFAOYSA-N 1 1 370.449 3.403 20 30 FGEDMO C=CCNc1ncc(C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000184666049 496485649 /nfs/dbraw/zinc/48/56/49/496485649.db2.gz VJTMIULAFAKZCD-QGZVFWFLSA-N 1 1 370.522 3.478 20 30 FGEDMO Cn1cc(C#N)cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178545796 496493476 /nfs/dbraw/zinc/49/34/76/496493476.db2.gz MBTNAVSUJSTOHR-VQTJNVASSA-N 1 1 362.477 3.023 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1 ZINC000163440374 496516549 /nfs/dbraw/zinc/51/65/49/496516549.db2.gz OLKBPAPNRLDWRN-GHTZIAJQSA-N 1 1 371.525 3.446 20 30 FGEDMO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2ccccc2SCC#N)s1 ZINC000157646879 496523034 /nfs/dbraw/zinc/52/30/34/496523034.db2.gz OSXFWCFNTFBXSX-UHFFFAOYSA-N 1 1 360.508 3.180 20 30 FGEDMO Cc1cnc(CC[N@H+](C)CC(=O)Nc2ccccc2SCC#N)s1 ZINC000157646879 496523041 /nfs/dbraw/zinc/52/30/41/496523041.db2.gz OSXFWCFNTFBXSX-UHFFFAOYSA-N 1 1 360.508 3.180 20 30 FGEDMO N#CCSc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000153734825 496562328 /nfs/dbraw/zinc/56/23/28/496562328.db2.gz UYDVEBJATZVCDC-APWZRJJASA-N 1 1 355.507 3.391 20 30 FGEDMO C=C(C)[C@H]([NH2+][C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(F)c(F)c1 ZINC000187793800 496575036 /nfs/dbraw/zinc/57/50/36/496575036.db2.gz JHORZDJQTKJAOP-AEFFLSMTSA-N 1 1 360.408 3.019 20 30 FGEDMO C=CCOc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cc1OC ZINC000157909674 496582866 /nfs/dbraw/zinc/58/28/66/496582866.db2.gz PQOVPDCCBYZWPS-UHFFFAOYSA-N 1 1 354.450 3.288 20 30 FGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000153971023 496639592 /nfs/dbraw/zinc/63/95/92/496639592.db2.gz VQIBMXOECHLZBL-UHFFFAOYSA-N 1 1 363.417 3.082 20 30 FGEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000153971023 496639598 /nfs/dbraw/zinc/63/95/98/496639598.db2.gz VQIBMXOECHLZBL-UHFFFAOYSA-N 1 1 363.417 3.082 20 30 FGEDMO C[C@H]1C[C@H](N(C)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@H+]1C ZINC000176070390 496670426 /nfs/dbraw/zinc/67/04/26/496670426.db2.gz BIFBHTNZMYDCJK-WCQYABFASA-N 1 1 352.385 3.106 20 30 FGEDMO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cn(-c2ccccc2)nn1 ZINC000154083860 496678736 /nfs/dbraw/zinc/67/87/36/496678736.db2.gz VXBNHSVCHHAFGJ-KRWDZBQOSA-N 1 1 360.465 3.468 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)c2ccccc2OCC#N)CC[N@H+]1Cc1ccccc1 ZINC000176120736 496692714 /nfs/dbraw/zinc/69/27/14/496692714.db2.gz GKTXDYFMHPUQIL-HKUYNNGSSA-N 1 1 363.461 3.372 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000247192163 496802191 /nfs/dbraw/zinc/80/21/91/496802191.db2.gz QIOHMSDMKRZIBF-HZPDHXFCSA-N 1 1 361.511 3.235 20 30 FGEDMO C=CCOc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000247357513 496843291 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CC(C)[NH+]1CCN(CCCN2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000375594678 499536156 /nfs/dbraw/zinc/53/61/56/499536156.db2.gz BPZUMNFEABHFPK-VXKWHMMOSA-N 1 1 354.542 3.174 20 30 FGEDMO Cc1nc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1C#N ZINC000378613587 499537840 /nfs/dbraw/zinc/53/78/40/499537840.db2.gz ZVXGVCGZRNZADS-UXHICEINSA-N 1 1 360.461 3.141 20 30 FGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000375665516 499543050 /nfs/dbraw/zinc/54/30/50/499543050.db2.gz MYMNHLBQKQYJTF-UXHICEINSA-N 1 1 366.461 3.044 20 30 FGEDMO N#Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000380685859 499544249 /nfs/dbraw/zinc/54/42/49/499544249.db2.gz KVXJPJXCQQAACA-OALUTQOASA-N 1 1 362.433 3.425 20 30 FGEDMO Cc1nnc([C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccccc2)[nH]1 ZINC000375801289 499557128 /nfs/dbraw/zinc/55/71/28/499557128.db2.gz IVHZOCTUKLQGSD-NRFANRHFSA-N 1 1 372.476 3.333 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 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HCWYOUOJLSJCKL-NWPKHEMWSA-N 1 1 357.445 3.009 20 30 FGEDMO C=CC[C@@H]1[N@@H+](CC(=O)NCC(=O)Nc2ccccc2CC)CCCC1(C)C ZINC000444781277 500899097 /nfs/dbraw/zinc/89/90/97/500899097.db2.gz GQEMOCHVVHKODD-IBGZPJMESA-N 1 1 371.525 3.370 20 30 FGEDMO CCCOc1ccc2c(c1)CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000434888474 500907969 /nfs/dbraw/zinc/90/79/69/500907969.db2.gz SQGDXJRMODKCQO-FQEVSTJZSA-N 1 1 366.461 3.145 20 30 FGEDMO COc1cccc(F)c1[C@H](C)[NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000439648246 500922971 /nfs/dbraw/zinc/92/29/71/500922971.db2.gz OQVDZGHONDWYQR-GUYCJALGSA-N 1 1 353.397 3.162 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc4ccncc43)CC2)cc1 ZINC000592746409 506227534 /nfs/dbraw/zinc/22/75/34/506227534.db2.gz MAOFFSCHBYSQOL-UHFFFAOYSA-N 1 1 370.456 3.455 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC000449407468 500996108 /nfs/dbraw/zinc/99/61/08/500996108.db2.gz DECVMYQULGCXEQ-QGZVFWFLSA-N 1 1 360.498 3.374 20 30 FGEDMO C=CCOc1c(Br)cc(CNC[C@H](C)[NH+](C)C)cc1OC ZINC000449556171 501032942 /nfs/dbraw/zinc/03/29/42/501032942.db2.gz LEJRPPPNQHMBNH-LBPRGKRZSA-N 1 1 357.292 3.062 20 30 FGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C12CCC2 ZINC000449636849 501047264 /nfs/dbraw/zinc/04/72/64/501047264.db2.gz XIEWGYJUWROYHC-OALUTQOASA-N 1 1 350.466 3.348 20 30 FGEDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc(C#N)oc1C ZINC000436143701 501077694 /nfs/dbraw/zinc/07/76/94/501077694.db2.gz KODDCUIBYJEOMY-KRWDZBQOSA-N 1 1 367.449 3.292 20 30 FGEDMO CC[C@@H](O)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000441103945 501088395 /nfs/dbraw/zinc/08/83/95/501088395.db2.gz LFKYKADQMYNUQN-OAQYLSRUSA-N 1 1 365.477 3.206 20 30 FGEDMO CC[C@@H](O)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000441103945 501088398 /nfs/dbraw/zinc/08/83/98/501088398.db2.gz LFKYKADQMYNUQN-OAQYLSRUSA-N 1 1 365.477 3.206 20 30 FGEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 ZINC000450388877 501108820 /nfs/dbraw/zinc/10/88/20/501108820.db2.gz LWBYWRCROXJJMG-HNNXBMFYSA-N 1 1 357.458 3.342 20 30 FGEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000441259024 501109910 /nfs/dbraw/zinc/10/99/10/501109910.db2.gz FEZNGKFGNMAMGK-LRDDRELGSA-N 1 1 369.387 3.100 20 30 FGEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(C)c(N(C)C)cc1C#N ZINC000436484234 501136106 /nfs/dbraw/zinc/13/61/06/501136106.db2.gz DJJKRYFGTXDNNI-UHFFFAOYSA-N 1 1 354.458 3.040 20 30 FGEDMO C=CCC[C@@H]([NH2+]Cc1nc(-c2ccc(OC)nn2)no1)c1ccccc1 ZINC000450676463 501184124 /nfs/dbraw/zinc/18/41/24/501184124.db2.gz DLYBSZQNHWHBRH-OAHLLOKOSA-N 1 1 351.410 3.332 20 30 FGEDMO CC(=O)c1nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000450235756 501216555 /nfs/dbraw/zinc/21/65/55/501216555.db2.gz WVAZKVAYBOVZPG-UHFFFAOYSA-N 1 1 354.479 3.238 20 30 FGEDMO CC(=O)c1nc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000450235756 501216558 /nfs/dbraw/zinc/21/65/58/501216558.db2.gz WVAZKVAYBOVZPG-UHFFFAOYSA-N 1 1 354.479 3.238 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1C ZINC000451209928 501252413 /nfs/dbraw/zinc/25/24/13/501252413.db2.gz IHZMXVAZALTBCD-KRWDZBQOSA-N 1 1 359.514 3.087 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1C ZINC000451209928 501252414 /nfs/dbraw/zinc/25/24/14/501252414.db2.gz IHZMXVAZALTBCD-KRWDZBQOSA-N 1 1 359.514 3.087 20 30 FGEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)O ZINC000451362191 501274948 /nfs/dbraw/zinc/27/49/48/501274948.db2.gz PBHIGAKPOSOSAM-CYBMUJFWSA-N 1 1 363.527 3.308 20 30 FGEDMO C=CCn1c([C@@H]2CCCO2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000453427356 501329942 /nfs/dbraw/zinc/32/99/42/501329942.db2.gz VXKLYFYVSNJZGP-QYZOEREBSA-N 1 1 373.545 3.406 20 30 FGEDMO C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000453451537 501335770 /nfs/dbraw/zinc/33/57/70/501335770.db2.gz KEPMFMUXDOYTKK-QGZVFWFLSA-N 1 1 368.529 3.170 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000453466780 501339837 /nfs/dbraw/zinc/33/98/37/501339837.db2.gz PQLIZENMVURWQG-WDSOQIARSA-N 1 1 371.529 3.159 20 30 FGEDMO C=C(C)Cn1c(N2CC[N@H+](C3CCC3)C[C@H](C)C2)nnc1[C@@]1(C)CCCO1 ZINC000453470265 501340834 /nfs/dbraw/zinc/34/08/34/501340834.db2.gz PHKWUWPULLMDGE-LAUBAEHRSA-N 1 1 373.545 3.190 20 30 FGEDMO C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000451699210 501354072 /nfs/dbraw/zinc/35/40/72/501354072.db2.gz UNUDEWXLVVBTBO-WJBHACNQSA-N 1 1 359.473 3.321 20 30 FGEDMO Cn1ncc(C#N)c1NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000596085268 506248104 /nfs/dbraw/zinc/24/81/04/506248104.db2.gz LHIJBYSNDGEOIP-UHFFFAOYSA-N 1 1 363.387 3.387 20 30 FGEDMO CC[C@@H]1C[N@@H+](CC)CCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000451727365 501361473 /nfs/dbraw/zinc/36/14/73/501361473.db2.gz ZCPMSWIFQMYMSD-OAHLLOKOSA-N 1 1 374.554 3.243 20 30 FGEDMO CC[C@@H]1CN(CC)CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000451727365 501361474 /nfs/dbraw/zinc/36/14/74/501361474.db2.gz ZCPMSWIFQMYMSD-OAHLLOKOSA-N 1 1 374.554 3.243 20 30 FGEDMO CC[C@@H]1CN(CC)CC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000451727365 501361475 /nfs/dbraw/zinc/36/14/75/501361475.db2.gz ZCPMSWIFQMYMSD-OAHLLOKOSA-N 1 1 374.554 3.243 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Br)c1 ZINC000451883415 501392693 /nfs/dbraw/zinc/39/26/93/501392693.db2.gz DZXGDGBWJJJHSE-DGCLKSJQSA-N 1 1 363.177 3.066 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(Br)c1 ZINC000451883415 501392696 /nfs/dbraw/zinc/39/26/96/501392696.db2.gz DZXGDGBWJJJHSE-DGCLKSJQSA-N 1 1 363.177 3.066 20 30 FGEDMO COC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000452036515 501422061 /nfs/dbraw/zinc/42/20/61/501422061.db2.gz JCUKLYCBVLCMKX-KRWDZBQOSA-N 1 1 363.889 3.396 20 30 FGEDMO COC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000452036515 501422065 /nfs/dbraw/zinc/42/20/65/501422065.db2.gz JCUKLYCBVLCMKX-KRWDZBQOSA-N 1 1 363.889 3.396 20 30 FGEDMO COC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000452097459 501433801 /nfs/dbraw/zinc/43/38/01/501433801.db2.gz ZMSDCCUXYRQTOC-DLBZAZTESA-N 1 1 361.461 3.209 20 30 FGEDMO C=CCC1(CNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CCCC1 ZINC000456483355 501534948 /nfs/dbraw/zinc/53/49/48/501534948.db2.gz GZURQZJJYDJHAK-FQEVSTJZSA-N 1 1 356.510 3.437 20 30 FGEDMO C[C@@H](CCNC(=O)NCc1ccc(C#N)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000454611535 501591839 /nfs/dbraw/zinc/59/18/39/501591839.db2.gz STGMSFPRFHERHR-INIZCTEOSA-N 1 1 368.456 3.407 20 30 FGEDMO C[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000459511552 501666843 /nfs/dbraw/zinc/66/68/43/501666843.db2.gz MFGUUTMOZAIBDN-QGZVFWFLSA-N 1 1 364.449 3.420 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000457500493 501711560 /nfs/dbraw/zinc/71/15/60/501711560.db2.gz CAJOQJSOVRLNAX-WOJBJXKFSA-N 1 1 372.513 3.078 20 30 FGEDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000457500491 501711838 /nfs/dbraw/zinc/71/18/38/501711838.db2.gz CAJOQJSOVRLNAX-VQTJNVASSA-N 1 1 372.513 3.078 20 30 FGEDMO C=C(C)CN(CC)C(=O)C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000459824122 501718134 /nfs/dbraw/zinc/71/81/34/501718134.db2.gz SAXIXQAFIQXLCP-UHFFFAOYSA-N 1 1 365.562 3.018 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(OC)cc1OC)C(C)(C)C ZINC000474186194 501735555 /nfs/dbraw/zinc/73/55/55/501735555.db2.gz UYSDAIVFQSSHMD-UHFFFAOYSA-N 1 1 361.486 3.066 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc(OC)cc1OC)C(C)(C)C ZINC000474186194 501735558 /nfs/dbraw/zinc/73/55/58/501735558.db2.gz UYSDAIVFQSSHMD-UHFFFAOYSA-N 1 1 361.486 3.066 20 30 FGEDMO COC[C@H]1CCCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000467299743 501764195 /nfs/dbraw/zinc/76/41/95/501764195.db2.gz WKZQOWODXDQLLF-KBPBESRZSA-N 1 1 361.511 3.184 20 30 FGEDMO CCOC(=O)c1coc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000474270658 501768926 /nfs/dbraw/zinc/76/89/26/501768926.db2.gz MKTUTHCJYWJBET-UHFFFAOYSA-N 1 1 354.406 3.371 20 30 FGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599003534 506274041 /nfs/dbraw/zinc/27/40/41/506274041.db2.gz KKYPODHKRLJNLJ-KSZLIROESA-N 1 1 368.525 3.187 20 30 FGEDMO C[N@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000467473708 501803206 /nfs/dbraw/zinc/80/32/06/501803206.db2.gz GWROYFKMUHIBPM-UHFFFAOYSA-N 1 1 357.523 3.268 20 30 FGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(Cl)c(OCCC)c(OC)c2)C1=O ZINC000467511058 501811733 /nfs/dbraw/zinc/81/17/33/501811733.db2.gz IZGWYXCADGGYOV-INIZCTEOSA-N 1 1 366.889 3.356 20 30 FGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cc(Cl)c(OCCC)c(OC)c2)C1=O ZINC000467511058 501811735 /nfs/dbraw/zinc/81/17/35/501811735.db2.gz IZGWYXCADGGYOV-INIZCTEOSA-N 1 1 366.889 3.356 20 30 FGEDMO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000481663897 501843343 /nfs/dbraw/zinc/84/33/43/501843343.db2.gz ANLCQVLTFNSWDF-IBGZPJMESA-N 1 1 354.498 3.210 20 30 FGEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000478024509 501857073 /nfs/dbraw/zinc/85/70/73/501857073.db2.gz BKFBPYFJUHREQZ-HXUWFJFHSA-N 1 1 368.502 3.348 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c(OC)c1 ZINC000470946200 501864279 /nfs/dbraw/zinc/86/42/79/501864279.db2.gz FEIIURXLNCDRIJ-BMFZPTHFSA-N 1 1 373.415 3.436 20 30 FGEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000485800578 501943765 /nfs/dbraw/zinc/94/37/65/501943765.db2.gz USLGWFBHGPYQRL-IIBYNOLFSA-N 1 1 365.452 3.424 20 30 FGEDMO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCOc1ccc(C#N)cc1OC ZINC000482141649 501987791 /nfs/dbraw/zinc/98/77/91/501987791.db2.gz KJJIBUQPPQYJQZ-MOPGFXCFSA-N 1 1 359.514 3.436 20 30 FGEDMO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCOc1ccc(C#N)cc1OC ZINC000482141652 501988083 /nfs/dbraw/zinc/98/80/83/501988083.db2.gz KJJIBUQPPQYJQZ-RTBURBONSA-N 1 1 359.514 3.436 20 30 FGEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000486074128 502037853 /nfs/dbraw/zinc/03/78/53/502037853.db2.gz BYEDPJPJLCIROC-MAODMQOUSA-N 1 1 363.461 3.144 20 30 FGEDMO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000471511213 502050157 /nfs/dbraw/zinc/05/01/57/502050157.db2.gz GSSOKAXBXHQPOC-HXUWFJFHSA-N 1 1 359.514 3.131 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)cc1OC ZINC000482442961 502068556 /nfs/dbraw/zinc/06/85/56/502068556.db2.gz DRZWOVRGVJYCDT-NRFANRHFSA-N 1 1 361.482 3.420 20 30 FGEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000464724520 502073546 /nfs/dbraw/zinc/07/35/46/502073546.db2.gz HTHAKIQKWJVESC-YWZLYKJASA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000464724520 502073550 /nfs/dbraw/zinc/07/35/50/502073550.db2.gz HTHAKIQKWJVESC-YWZLYKJASA-N 1 1 351.425 3.397 20 30 FGEDMO Cc1ccc(O)c(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)n1 ZINC000475354442 502146769 /nfs/dbraw/zinc/14/67/69/502146769.db2.gz MOWASMQHXZGJMZ-SFHVURJKSA-N 1 1 356.857 3.132 20 30 FGEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000471959803 502183747 /nfs/dbraw/zinc/18/37/47/502183747.db2.gz ZGCMJKNOCQZTEZ-VQTJNVASSA-N 1 1 352.482 3.011 20 30 FGEDMO Cc1nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)cc1C#N ZINC000461738499 502186760 /nfs/dbraw/zinc/18/67/60/502186760.db2.gz NUGXHGVDOQHFCJ-UHFFFAOYSA-N 1 1 365.868 3.499 20 30 FGEDMO Cc1nc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)cc1C#N ZINC000461738499 502186762 /nfs/dbraw/zinc/18/67/62/502186762.db2.gz NUGXHGVDOQHFCJ-UHFFFAOYSA-N 1 1 365.868 3.499 20 30 FGEDMO O=C1c2ccccc2C(=O)N1CCC1=CC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000482874680 502205069 /nfs/dbraw/zinc/20/50/69/502205069.db2.gz JGRQCGSOWAUQGZ-UHFFFAOYSA-N 1 1 370.452 3.357 20 30 FGEDMO C[C@H]1[C@@H](NC(=O)NCCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000588671282 506299462 /nfs/dbraw/zinc/29/94/62/506299462.db2.gz IJOOBLOAHOSXTB-UWJYYQICSA-N 1 1 362.477 3.063 20 30 FGEDMO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(C#N)c1 ZINC000461799398 502205967 /nfs/dbraw/zinc/20/59/67/502205967.db2.gz WKNDSTBHFJVGDI-GOSISDBHSA-N 1 1 372.472 3.268 20 30 FGEDMO C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(C#N)c1 ZINC000461799398 502205973 /nfs/dbraw/zinc/20/59/73/502205973.db2.gz WKNDSTBHFJVGDI-GOSISDBHSA-N 1 1 372.472 3.268 20 30 FGEDMO C[C@H](C(=O)N1CC[NH+](CCc2cccs2)CC1)c1cccc(C#N)c1 ZINC000461930067 502242339 /nfs/dbraw/zinc/24/23/39/502242339.db2.gz APLDNJGCYQCUHA-INIZCTEOSA-N 1 1 353.491 3.110 20 30 FGEDMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@](C)(OC)CC2)c(OC)c1 ZINC000483016571 502245569 /nfs/dbraw/zinc/24/55/69/502245569.db2.gz CHFBTIHLPHDKCZ-RXVVDRJESA-N 1 1 363.498 3.054 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](OCC(C)C)C2)cc1 ZINC000468993595 502255659 /nfs/dbraw/zinc/25/56/59/502255659.db2.gz PDNULEWHXJKTJC-FQEVSTJZSA-N 1 1 373.497 3.079 20 30 FGEDMO CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](OCC(C)C)C2)cc1 ZINC000468993595 502255665 /nfs/dbraw/zinc/25/56/65/502255665.db2.gz PDNULEWHXJKTJC-FQEVSTJZSA-N 1 1 373.497 3.079 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000475732271 502269940 /nfs/dbraw/zinc/26/99/40/502269940.db2.gz PVZWIWLVIUWZMP-QFIPXVFZSA-N 1 1 369.509 3.443 20 30 FGEDMO COc1c[nH+]ccc1N1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000483212083 502315191 /nfs/dbraw/zinc/31/51/91/502315191.db2.gz QGTVGZVOXZIKIK-UHFFFAOYSA-N 1 1 350.466 3.214 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](COC)Cc1ccccc1 ZINC000472325131 502315686 /nfs/dbraw/zinc/31/56/86/502315686.db2.gz HRTIJHFXGPTLNW-FQEVSTJZSA-N 1 1 351.450 3.076 20 30 FGEDMO C=CCOc1cccc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1 ZINC000483406040 502378063 /nfs/dbraw/zinc/37/80/63/502378063.db2.gz FIKIBKOYFFXWSF-OAQYLSRUSA-N 1 1 365.477 3.179 20 30 FGEDMO CC#CCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000462320888 502391145 /nfs/dbraw/zinc/39/11/45/502391145.db2.gz SVWBQQVAHQRXOW-JOCHJYFZSA-N 1 1 364.464 3.325 20 30 FGEDMO CC#CCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000462320888 502391150 /nfs/dbraw/zinc/39/11/50/502391150.db2.gz SVWBQQVAHQRXOW-JOCHJYFZSA-N 1 1 364.464 3.325 20 30 FGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000479952875 502429996 /nfs/dbraw/zinc/42/99/96/502429996.db2.gz BWNASRJCWPKFCA-CALCHBBNSA-N 1 1 351.498 3.311 20 30 FGEDMO C[C@@H]1CCC[C@H](C)N1CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000479952875 502429999 /nfs/dbraw/zinc/42/99/99/502429999.db2.gz BWNASRJCWPKFCA-CALCHBBNSA-N 1 1 351.498 3.311 20 30 FGEDMO C=CCCCCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000473307422 502563249 /nfs/dbraw/zinc/56/32/49/502563249.db2.gz HQJXNYYTWMCAOV-KRWDZBQOSA-N 1 1 357.498 3.330 20 30 FGEDMO C=CCc1cc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc(OC)c1O ZINC000462859917 502601706 /nfs/dbraw/zinc/60/17/06/502601706.db2.gz MXBHMHBCHFOPFL-HXUWFJFHSA-N 1 1 368.477 3.308 20 30 FGEDMO CCc1nnc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C#N)c1CC ZINC000480586526 502611567 /nfs/dbraw/zinc/61/15/67/502611567.db2.gz VMBKGXUBTWMXMP-HDICACEKSA-N 1 1 361.493 3.041 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000588746277 506324881 /nfs/dbraw/zinc/32/48/81/506324881.db2.gz BGBBWJGRHRIORV-ZCNNSNEGSA-N 1 1 354.498 3.342 20 30 FGEDMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccc(C#N)c(C)c1)CC2 ZINC000488188966 502651734 /nfs/dbraw/zinc/65/17/34/502651734.db2.gz XKWWTNMEFAKUFD-UHFFFAOYSA-N 1 1 366.461 3.493 20 30 FGEDMO C=CC[N@H+](CC(=O)NCc1ccc(OC)c(OC)c1)CC1CCCCC1 ZINC000484489208 502653205 /nfs/dbraw/zinc/65/32/05/502653205.db2.gz NBHLALOGFHJACW-UHFFFAOYSA-N 1 1 360.498 3.388 20 30 FGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000466745804 502661952 /nfs/dbraw/zinc/66/19/52/502661952.db2.gz LMMYAFFBXXAIPP-OAHLLOKOSA-N 1 1 365.930 3.062 20 30 FGEDMO COCC[C@@H]1COCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000463036611 502669985 /nfs/dbraw/zinc/66/99/85/502669985.db2.gz KPVCLJKNHDOCHK-OAQYLSRUSA-N 1 1 366.461 3.375 20 30 FGEDMO COCC[C@@H]1COCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000463036611 502669990 /nfs/dbraw/zinc/66/99/90/502669990.db2.gz KPVCLJKNHDOCHK-OAQYLSRUSA-N 1 1 366.461 3.375 20 30 FGEDMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C#N)cc1F ZINC000488485455 502728065 /nfs/dbraw/zinc/72/80/65/502728065.db2.gz YLLPEIKKIFBRRX-VBKZILBWSA-N 1 1 362.408 3.021 20 30 FGEDMO CC(C)[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCOC1 ZINC000463232407 502728885 /nfs/dbraw/zinc/72/88/85/502728885.db2.gz RRAFYJDGWPNDCO-JKSUJKDBSA-N 1 1 361.511 3.376 20 30 FGEDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCOC1 ZINC000463232407 502728887 /nfs/dbraw/zinc/72/88/87/502728887.db2.gz RRAFYJDGWPNDCO-JKSUJKDBSA-N 1 1 361.511 3.376 20 30 FGEDMO CC(C)[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCOC1 ZINC000463232406 502728953 /nfs/dbraw/zinc/72/89/53/502728953.db2.gz RRAFYJDGWPNDCO-HZPDHXFCSA-N 1 1 361.511 3.376 20 30 FGEDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCOC1 ZINC000463232406 502728956 /nfs/dbraw/zinc/72/89/56/502728956.db2.gz RRAFYJDGWPNDCO-HZPDHXFCSA-N 1 1 361.511 3.376 20 30 FGEDMO N#Cc1ccc(SCC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484846803 502753726 /nfs/dbraw/zinc/75/37/26/502753726.db2.gz LMGCEJNKDZNJDR-LJQANCHMSA-N 1 1 365.502 3.431 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000467130327 502796324 /nfs/dbraw/zinc/79/63/24/502796324.db2.gz GUWWEBNCRJRBGI-CVEARBPZSA-N 1 1 361.511 3.378 20 30 FGEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@H](C)C(=O)N(C)CCC#N ZINC000488797057 502811545 /nfs/dbraw/zinc/81/15/45/502811545.db2.gz QHESDZCQAHLBFR-CYBMUJFWSA-N 1 1 352.276 3.032 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCc3ccc(C(=O)OC)cc3C2)cc(OC)c1O ZINC000500731373 502849940 /nfs/dbraw/zinc/84/99/40/502849940.db2.gz KTYVERFXDABDBL-UHFFFAOYSA-N 1 1 367.445 3.474 20 30 FGEDMO C=CCc1cc(C[N@@H+]2CCc3ccc(C(=O)OC)cc3C2)cc(OC)c1O ZINC000500731373 502849942 /nfs/dbraw/zinc/84/99/42/502849942.db2.gz KTYVERFXDABDBL-UHFFFAOYSA-N 1 1 367.445 3.474 20 30 FGEDMO C=CC[N@H+](CCc1ccccc1)CCc1c(C)nc2sccn2c1=O ZINC000509263870 502862962 /nfs/dbraw/zinc/86/29/62/502862962.db2.gz NOOWDXORQHXCGJ-UHFFFAOYSA-N 1 1 353.491 3.338 20 30 FGEDMO CCC(CC)[C@@H](CNC(=O)c1cc(C#N)ccc1Cl)[NH+]1CCOCC1 ZINC000505341523 502891326 /nfs/dbraw/zinc/89/13/26/502891326.db2.gz BPZNUJPVEQKFTM-GOSISDBHSA-N 1 1 363.889 3.078 20 30 FGEDMO Cc1cccc(C)c1OCCC[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000496916962 502914089 /nfs/dbraw/zinc/91/40/89/502914089.db2.gz UZOGMLYSSHGKPF-UHFFFAOYSA-N 1 1 350.466 3.161 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2nc3ncccc3cc2C#N)cc1 ZINC000599144598 506342345 /nfs/dbraw/zinc/34/23/45/506342345.db2.gz IAKJZVXTTRHBKO-SFHVURJKSA-N 1 1 359.433 3.196 20 30 FGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602902158 506343549 /nfs/dbraw/zinc/34/35/49/506343549.db2.gz ADNDOKUPBVKOFZ-AWEZNQCLSA-N 1 1 352.413 3.299 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000489611704 502998177 /nfs/dbraw/zinc/99/81/77/502998177.db2.gz BCYWWPHVEAHELU-OAHLLOKOSA-N 1 1 364.433 3.194 20 30 FGEDMO CC[N@@H+](CC(=O)NCCc1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000497618436 503001538 /nfs/dbraw/zinc/00/15/38/503001538.db2.gz OHBHGOROBABJSO-QGZVFWFLSA-N 1 1 365.477 3.309 20 30 FGEDMO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4ccc(F)cn4)CC3)C2=O)cc1 ZINC000602906606 506346753 /nfs/dbraw/zinc/34/67/53/506346753.db2.gz XTCBQZIVBYKORY-FQEVSTJZSA-N 1 1 364.424 3.077 20 30 FGEDMO N#Cc1cccc(OCCCCC(=O)Nc2c[nH+]ccc2-n2cccn2)c1 ZINC000505902982 503010428 /nfs/dbraw/zinc/01/04/28/503010428.db2.gz FQDGVXINDRLUEF-UHFFFAOYSA-N 1 1 361.405 3.327 20 30 FGEDMO CCOc1ccccc1N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000501558035 503038293 /nfs/dbraw/zinc/03/82/93/503038293.db2.gz ARTCZPPKALHVAR-UHFFFAOYSA-N 1 1 351.450 3.158 20 30 FGEDMO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909785 506348222 /nfs/dbraw/zinc/34/82/22/506348222.db2.gz OQAWRXLNZJNIIS-CYBMUJFWSA-N 1 1 369.856 3.208 20 30 FGEDMO O=C(NCC#Cc1ccccc1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506101312 503048169 /nfs/dbraw/zinc/04/81/69/503048169.db2.gz OQDKUSIUNXEDLV-HXUWFJFHSA-N 1 1 368.427 3.312 20 30 FGEDMO 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FGEDMO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000532522745 504682665 /nfs/dbraw/zinc/68/26/65/504682665.db2.gz USOWAHGOBOFPQB-HXUWFJFHSA-N 1 1 351.425 3.178 20 30 FGEDMO CCn1c(CCC(C)C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000549244419 504736151 /nfs/dbraw/zinc/73/61/51/504736151.db2.gz WDDRFVFCDBFXGV-UHFFFAOYSA-N 1 1 366.513 3.080 20 30 FGEDMO COc1cccc([C@@H]2C[N@@H+](Cc3cnc4c(C#N)cnn4c3)CC2(C)C)c1 ZINC000529638931 504750552 /nfs/dbraw/zinc/75/05/52/504750552.db2.gz HMUREUONEXNAPG-IBGZPJMESA-N 1 1 361.449 3.235 20 30 FGEDMO C[C@H](c1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)cc1)[NH+]1CCOCC1 ZINC000532817892 504763693 /nfs/dbraw/zinc/76/36/93/504763693.db2.gz LBDPZPYCMRRSPE-HZPDHXFCSA-N 1 1 356.470 3.236 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c1C#N ZINC000540046919 504765450 /nfs/dbraw/zinc/76/54/50/504765450.db2.gz HBBWYHJWMUKYNZ-SJORKVTESA-N 1 1 371.529 3.055 20 30 FGEDMO Cn1nccc1[C@@H]1CCCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000532887531 504771554 /nfs/dbraw/zinc/77/15/54/504771554.db2.gz LHKNFBPKYUEFLH-PMACEKPBSA-N 1 1 363.465 3.014 20 30 FGEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000532887531 504771556 /nfs/dbraw/zinc/77/15/56/504771556.db2.gz LHKNFBPKYUEFLH-PMACEKPBSA-N 1 1 363.465 3.014 20 30 FGEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H]1C1CCOCC1)CCC2 ZINC000565094275 504792157 /nfs/dbraw/zinc/79/21/57/504792157.db2.gz YUQBTJUFTYGWHQ-KRWDZBQOSA-N 1 1 373.522 3.328 20 30 FGEDMO Cc1nsc(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1C#N ZINC000552974227 504796804 /nfs/dbraw/zinc/79/68/04/504796804.db2.gz VEDYGVJANKPWAW-SFHVURJKSA-N 1 1 355.511 3.114 20 30 FGEDMO Cc1nsc(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1C#N ZINC000552974227 504796810 /nfs/dbraw/zinc/79/68/10/504796810.db2.gz VEDYGVJANKPWAW-SFHVURJKSA-N 1 1 355.511 3.114 20 30 FGEDMO Cc1nsc(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1C#N ZINC000552974227 504796814 /nfs/dbraw/zinc/79/68/14/504796814.db2.gz VEDYGVJANKPWAW-SFHVURJKSA-N 1 1 355.511 3.114 20 30 FGEDMO N#Cc1ccccc1OCC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549402536 504810583 /nfs/dbraw/zinc/81/05/83/504810583.db2.gz RYRYBHLSBLIXKT-UHFFFAOYSA-N 1 1 359.433 3.182 20 30 FGEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000559262049 504812666 /nfs/dbraw/zinc/81/26/66/504812666.db2.gz FKSYCWLOGFTLEY-OAHLLOKOSA-N 1 1 352.400 3.438 20 30 FGEDMO CCN1CC[C@H]([NH2+]Cc2ncc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000565353357 504863190 /nfs/dbraw/zinc/86/31/90/504863190.db2.gz WBEWHUPQSNDORP-FUHWJXTLSA-N 1 1 359.836 3.066 20 30 FGEDMO CCN1CC[C@@H]([NH2+]Cc2ncc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000565353356 504863474 /nfs/dbraw/zinc/86/34/74/504863474.db2.gz WBEWHUPQSNDORP-AEFFLSMTSA-N 1 1 359.836 3.066 20 30 FGEDMO N#Cc1c(NCC[N@H+]2CCc3sccc3C2)nc2cc(Cl)ccn12 ZINC000553333091 504886124 /nfs/dbraw/zinc/88/61/24/504886124.db2.gz CEZSYBASYJZGQQ-UHFFFAOYSA-N 1 1 357.870 3.391 20 30 FGEDMO C=CCC[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)C(=O)OCC ZINC000565486406 504901604 /nfs/dbraw/zinc/90/16/04/504901604.db2.gz LQEBVFPXIVRWCE-GFBDMGBSSA-N 1 1 356.466 3.307 20 30 FGEDMO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@H](C)C#N)c1 ZINC000559713084 504913840 /nfs/dbraw/zinc/91/38/40/504913840.db2.gz KLPGSFXQSNQTDP-QIJUGHKUSA-N 1 1 361.489 3.487 20 30 FGEDMO N#Cc1cc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc(N)c1[N+](=O)[O-] ZINC000553535433 504943323 /nfs/dbraw/zinc/94/33/23/504943323.db2.gz GOQZUECGWJTBCP-UHFFFAOYSA-N 1 1 371.828 3.172 20 30 FGEDMO N#Cc1cc(NCC[N@H+]2CCc3c(Cl)cccc3C2)cc(N)c1[N+](=O)[O-] ZINC000553535433 504943325 /nfs/dbraw/zinc/94/33/25/504943325.db2.gz GOQZUECGWJTBCP-UHFFFAOYSA-N 1 1 371.828 3.172 20 30 FGEDMO Cc1cc(C#N)cnc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000556779344 504972092 /nfs/dbraw/zinc/97/20/92/504972092.db2.gz VSLHNMHONHSTSO-UHFFFAOYSA-N 1 1 373.254 3.338 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 ZINC000556899425 505010156 /nfs/dbraw/zinc/01/01/56/505010156.db2.gz HSCPXIXLXBJDNK-MRXNPFEDSA-N 1 1 357.473 3.165 20 30 FGEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000560185317 505015023 /nfs/dbraw/zinc/01/50/23/505015023.db2.gz WXCQMCCRSWJWRR-UHFFFAOYSA-N 1 1 367.518 3.480 20 30 FGEDMO N#Cc1ccc(OCC[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1 ZINC000560197015 505016666 /nfs/dbraw/zinc/01/66/66/505016666.db2.gz QMAVXBGABGCOPF-UHFFFAOYSA-N 1 1 357.404 3.428 20 30 FGEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000563026935 505025107 /nfs/dbraw/zinc/02/51/07/505025107.db2.gz BOKCMTMNOVUPPL-YZUZWNONSA-N 1 1 371.525 3.033 20 30 FGEDMO C=C[C@](C)(O)CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000565981669 505044153 /nfs/dbraw/zinc/04/41/53/505044153.db2.gz JOMXXUFGWCEVMS-QHCPKHFHSA-N 1 1 362.473 3.228 20 30 FGEDMO C[C@H](C#N)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000557448745 505137019 /nfs/dbraw/zinc/13/70/19/505137019.db2.gz NARZGAVTCMBENY-WIYYLYMNSA-N 1 1 362.477 3.234 20 30 FGEDMO COc1cc(OC)c2ncc(C#N)c(N(C)CCCn3cc[nH+]c3C)c2c1 ZINC000557636675 505189226 /nfs/dbraw/zinc/18/92/26/505189226.db2.gz BKSYDGZGNOCCDS-UHFFFAOYSA-N 1 1 365.437 3.155 20 30 FGEDMO Cc1cnc([C@H]([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C2CC2)s1 ZINC000563605102 505190402 /nfs/dbraw/zinc/19/04/02/505190402.db2.gz QQFLIXPWQDTMJX-IAGOWNOFSA-N 1 1 352.463 3.169 20 30 FGEDMO CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ccc(C#N)c(C#N)c2)[C@H](C(F)(F)F)C1 ZINC000551325702 505202281 /nfs/dbraw/zinc/20/22/81/505202281.db2.gz LJGPXWKNXSFJKQ-HUUCEWRRSA-N 1 1 364.371 3.277 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000554565427 505208929 /nfs/dbraw/zinc/20/89/29/505208929.db2.gz ZZDFWZIWAIJDNQ-QGZVFWFLSA-N 1 1 374.488 3.412 20 30 FGEDMO CC[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000566674975 505240512 /nfs/dbraw/zinc/24/05/12/505240512.db2.gz YMLNDPFMZSILTC-KRWDZBQOSA-N 1 1 371.529 3.056 20 30 FGEDMO C=CCOc1c(Br)cc(CN[C@@H](C)C[NH+](C)C)cc1OC ZINC000554727176 505250177 /nfs/dbraw/zinc/25/01/77/505250177.db2.gz WVKSDJVBMGVHHF-LBPRGKRZSA-N 1 1 357.292 3.062 20 30 FGEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000561225884 505285941 /nfs/dbraw/zinc/28/59/41/505285941.db2.gz TYUIYSWFEYVKRE-FQEVSTJZSA-N 1 1 360.498 3.474 20 30 FGEDMO COc1cc(OC)c2ncc(C#N)c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000561259768 505296602 /nfs/dbraw/zinc/29/66/02/505296602.db2.gz UITMJGJOCOAEHE-KBXCAEBGSA-N 1 1 366.465 3.044 20 30 FGEDMO Cc1cc(CNC(=O)C2(c3cccc(C#N)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000555116156 505354169 /nfs/dbraw/zinc/35/41/69/505354169.db2.gz GHUJZAITQWTQMW-UHFFFAOYSA-N 1 1 360.461 3.210 20 30 FGEDMO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000558460109 505396319 /nfs/dbraw/zinc/39/63/19/505396319.db2.gz YHFVXAFHGVLHML-OAQYLSRUSA-N 1 1 367.468 3.468 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000558475638 505402570 /nfs/dbraw/zinc/40/25/70/505402570.db2.gz FNMPACJTMCGJAZ-LPPHBEDPSA-N 1 1 373.541 3.339 20 30 FGEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000558475638 505402572 /nfs/dbraw/zinc/40/25/72/505402572.db2.gz FNMPACJTMCGJAZ-LPPHBEDPSA-N 1 1 373.541 3.339 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000564403880 505410209 /nfs/dbraw/zinc/41/02/09/505410209.db2.gz TXUVRNVISNWYLZ-HMXCVIKNSA-N 1 1 357.494 3.188 20 30 FGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000552137358 505412448 /nfs/dbraw/zinc/41/24/48/505412448.db2.gz PVYGHQXHRXOJSJ-HNNXBMFYSA-N 1 1 357.479 3.151 20 30 FGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NC(=O)NCc1ccccc1 ZINC000552137358 505412450 /nfs/dbraw/zinc/41/24/50/505412450.db2.gz PVYGHQXHRXOJSJ-HNNXBMFYSA-N 1 1 357.479 3.151 20 30 FGEDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000561762045 505429995 /nfs/dbraw/zinc/42/99/95/505429995.db2.gz JHDJVPWQYKICFU-BBTUJRGHSA-N 1 1 369.509 3.296 20 30 FGEDMO CC[N@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C2CC2)[C@H](C)C1 ZINC000567360680 505441185 /nfs/dbraw/zinc/44/11/85/505441185.db2.gz CFGNYEPNOJPCIU-DNVCBOLYSA-N 1 1 364.497 3.318 20 30 FGEDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cscc3C#N)c2)C[C@H](C)O1 ZINC000567493303 505479487 /nfs/dbraw/zinc/47/94/87/505479487.db2.gz SZHGCFMPJLACHE-KBPBESRZSA-N 1 1 355.463 3.481 20 30 FGEDMO N#CC(CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)(c1ccccc1)c1ccccc1 ZINC000567602719 505511685 /nfs/dbraw/zinc/51/16/85/505511685.db2.gz NWBCISFROHBFNU-NYVOZVTQSA-N 1 1 373.500 3.472 20 30 FGEDMO N#CC1(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2cccs2)CCOCC1 ZINC000599253383 506386205 /nfs/dbraw/zinc/38/62/05/506386205.db2.gz JTYXOUGSJSERMC-INIZCTEOSA-N 1 1 360.479 3.415 20 30 FGEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C2CC2)o1 ZINC000599252771 506386266 /nfs/dbraw/zinc/38/62/66/506386266.db2.gz RUNHIYXQMXLVNZ-AYBZRNKSSA-N 1 1 358.482 3.439 20 30 FGEDMO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C)c(C#N)c1 ZINC000599260721 506387565 /nfs/dbraw/zinc/38/75/65/506387565.db2.gz KESYHYGUDQAPFS-UHFFFAOYSA-N 1 1 364.449 3.286 20 30 FGEDMO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1ccc(C)c(C#N)c1 ZINC000599260721 506387572 /nfs/dbraw/zinc/38/75/72/506387572.db2.gz KESYHYGUDQAPFS-UHFFFAOYSA-N 1 1 364.449 3.286 20 30 FGEDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCc2ccc(F)cc21 ZINC000593115900 506401564 /nfs/dbraw/zinc/40/15/64/506401564.db2.gz NEUKYKSPNUMQCW-HNAYVOBHSA-N 1 1 354.425 3.099 20 30 FGEDMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000588982862 506403659 /nfs/dbraw/zinc/40/36/59/506403659.db2.gz IACABGYIJLEJBU-OWCLPIDISA-N 1 1 356.388 3.351 20 30 FGEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000599303957 506404423 /nfs/dbraw/zinc/40/44/23/506404423.db2.gz NOMLOGRELOGOKG-QUCCMNQESA-N 1 1 354.475 3.088 20 30 FGEDMO C[C@@H]1SCC[N@@H+](C[C@H](O)COc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000599303980 506405494 /nfs/dbraw/zinc/40/54/94/506405494.db2.gz NZFOEHYGFZQFJD-LRQRDZAKSA-N 1 1 368.502 3.477 20 30 FGEDMO N#Cc1cccc2c1C[N@H+](CCCCCn1nnc(-c3ccccc3)n1)C2 ZINC000593123805 506407466 /nfs/dbraw/zinc/40/74/66/506407466.db2.gz WSKBOMMMXLHFFW-UHFFFAOYSA-N 1 1 358.449 3.398 20 30 FGEDMO N#Cc1cccc2c1C[N@@H+](CCCCCn1nnc(-c3ccccc3)n1)C2 ZINC000593123805 506407473 /nfs/dbraw/zinc/40/74/73/506407473.db2.gz WSKBOMMMXLHFFW-UHFFFAOYSA-N 1 1 358.449 3.398 20 30 FGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)CCOCC1 ZINC000599313199 506409140 /nfs/dbraw/zinc/40/91/40/506409140.db2.gz HRJLZCBBWQQVNK-OALUTQOASA-N 1 1 367.493 3.419 20 30 FGEDMO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1C#N ZINC000599324379 506413451 /nfs/dbraw/zinc/41/34/51/506413451.db2.gz PKTUNPRILWTPGJ-IBGZPJMESA-N 1 1 352.413 3.402 20 30 FGEDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccnc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000603128561 506430801 /nfs/dbraw/zinc/43/08/01/506430801.db2.gz JPXGLTJYDBAHIC-JXFKEZNVSA-N 1 1 363.465 3.470 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612134945 506454247 /nfs/dbraw/zinc/45/42/47/506454247.db2.gz KTLMUGLCBNXAEF-SLYNCCJLSA-N 1 1 354.498 3.232 20 30 FGEDMO CC(C)([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nc2ccccc2s1 ZINC000599535192 506489836 /nfs/dbraw/zinc/48/98/36/506489836.db2.gz KMKLRRNEJJVHKE-UHFFFAOYSA-N 1 1 356.495 3.464 20 30 FGEDMO CC[N@@H+](CCCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000593252330 506495348 /nfs/dbraw/zinc/49/53/48/506495348.db2.gz XFFZMYKBSUWNFX-HXUWFJFHSA-N 1 1 366.509 3.401 20 30 FGEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553393 506497656 /nfs/dbraw/zinc/49/76/56/506497656.db2.gz SHBIJXNFBAWQPY-BBWFWOEESA-N 1 1 373.522 3.300 20 30 FGEDMO COCC[N@@H+]1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)C(C)(C)C1 ZINC000593339157 506554051 /nfs/dbraw/zinc/55/40/51/506554051.db2.gz FQKWGSHCRXMWBL-UHFFFAOYSA-N 1 1 371.506 3.264 20 30 FGEDMO COCC[N@H+]1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)C(C)(C)C1 ZINC000593339157 506554055 /nfs/dbraw/zinc/55/40/55/506554055.db2.gz FQKWGSHCRXMWBL-UHFFFAOYSA-N 1 1 371.506 3.264 20 30 FGEDMO CCN(CCOC)c1cccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599676746 506571938 /nfs/dbraw/zinc/57/19/38/506571938.db2.gz BXYRRKJCDJVJPN-UHFFFAOYSA-N 1 1 364.493 3.179 20 30 FGEDMO CCN(CCOC)c1cccc(C[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599676746 506571941 /nfs/dbraw/zinc/57/19/41/506571941.db2.gz BXYRRKJCDJVJPN-UHFFFAOYSA-N 1 1 364.493 3.179 20 30 FGEDMO C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675059 506572182 /nfs/dbraw/zinc/57/21/82/506572182.db2.gz HYZHPXDYMDNCGA-QGZVFWFLSA-N 1 1 359.473 3.479 20 30 FGEDMO C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599675059 506572187 /nfs/dbraw/zinc/57/21/87/506572187.db2.gz HYZHPXDYMDNCGA-QGZVFWFLSA-N 1 1 359.473 3.479 20 30 FGEDMO COc1ccc([C@H]2CC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)cc1F ZINC000599677019 506573070 /nfs/dbraw/zinc/57/30/70/506573070.db2.gz GGLPDZJXXFPUGL-KRWDZBQOSA-N 1 1 373.472 3.308 20 30 FGEDMO COc1ccc([C@H]2CC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)cc1F ZINC000599677019 506573071 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Cc1nc([C@H](C)NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000329153262 713827643 /nfs/dbraw/zinc/82/76/43/713827643.db2.gz ABQFNYBVIWIWFH-RZLSGREXSA-N 1 1 366.531 3.000 20 30 FGEDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cn(-c2ccccc2Cl)nn1 ZINC000329191604 713828315 /nfs/dbraw/zinc/82/83/15/713828315.db2.gz SLGBYSZEYTZIPZ-ZDUSSCGKSA-N 1 1 359.861 3.242 20 30 FGEDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000619512863 714847212 /nfs/dbraw/zinc/84/72/12/714847212.db2.gz NQBHMDLSRLVKDR-DJJJIMSYSA-N 1 1 361.511 3.326 20 30 FGEDMO C=C[C@H](NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)OC ZINC000619701291 714863219 /nfs/dbraw/zinc/86/32/19/714863219.db2.gz DGBJZFLFLGZMAT-INIZCTEOSA-N 1 1 357.281 3.275 20 30 FGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619759375 714867610 /nfs/dbraw/zinc/86/76/10/714867610.db2.gz GRZHBYWFRGWJTB-ZNMIVQPWSA-N 1 1 362.905 3.377 20 30 FGEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619769427 714869507 /nfs/dbraw/zinc/86/95/07/714869507.db2.gz XRAYZBOBEHQXLR-GOSISDBHSA-N 1 1 354.841 3.198 20 30 FGEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C1 ZINC000619769427 714869508 /nfs/dbraw/zinc/86/95/08/714869508.db2.gz XRAYZBOBEHQXLR-GOSISDBHSA-N 1 1 354.841 3.198 20 30 FGEDMO C=CC[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000625704040 715775616 /nfs/dbraw/zinc/77/56/16/715775616.db2.gz MXFDCQSIJOYDBW-INIZCTEOSA-N 1 1 350.384 3.071 20 30 FGEDMO C=CCOc1c(Cl)cc(C[N@@H+](CC(N)=O)C2CCCC2)cc1OC ZINC000628130734 716113123 /nfs/dbraw/zinc/11/31/23/716113123.db2.gz JFKCZRLGUCWVBF-UHFFFAOYSA-N 1 1 352.862 3.143 20 30 FGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000801921475 724345947 /nfs/dbraw/zinc/34/59/47/724345947.db2.gz DWLVXARYIIPYGK-DOMZBBRYSA-N 1 1 370.234 3.357 20 30 FGEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)ccc1OC ZINC000639386758 717552387 /nfs/dbraw/zinc/55/23/87/717552387.db2.gz MDBHUAKZNLTSFP-LSDHHAIUSA-N 1 1 359.388 3.253 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CCCOC)c1ccc(Cl)cc1 ZINC000804128236 724488048 /nfs/dbraw/zinc/48/80/48/724488048.db2.gz UXVPKAFEHFBHIM-MJGOQNOKSA-N 1 1 362.901 3.064 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CCCOC)c1ccc(Cl)cc1 ZINC000804128236 724488051 /nfs/dbraw/zinc/48/80/51/724488051.db2.gz UXVPKAFEHFBHIM-MJGOQNOKSA-N 1 1 362.901 3.064 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cnc(Cl)nc1Oc1ccccc1C#N ZINC001164632065 719253632 /nfs/dbraw/zinc/25/36/32/719253632.db2.gz IETTYAVWFRZAAF-QWHCGFSZSA-N 1 1 357.845 3.323 20 30 FGEDMO Cc1nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(Cl)cc1C#N ZINC001164654558 719317268 /nfs/dbraw/zinc/31/72/68/719317268.db2.gz RURAJVXNKGFVKS-UHFFFAOYSA-N 1 1 372.904 3.317 20 30 FGEDMO C=CC[C@]1(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000662668422 720451574 /nfs/dbraw/zinc/45/15/74/720451574.db2.gz FKLVMINBTSGOGH-HXUWFJFHSA-N 1 1 361.917 3.119 20 30 FGEDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc3c(C#N)c[nH]c3n1)[C@@H]2C ZINC001164862644 720970056 /nfs/dbraw/zinc/97/00/56/720970056.db2.gz TWHWZAGKFHIRQI-CQSZACIVSA-N 1 1 363.469 3.052 20 30 FGEDMO N#Cc1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc2ccccc12 ZINC001164784228 721425729 /nfs/dbraw/zinc/42/57/29/721425729.db2.gz KXCIMZVIDSVXDU-IYBDPMFKSA-N 1 1 361.474 3.131 20 30 FGEDMO N#Cc1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc2ccccc12 ZINC001164784228 721425732 /nfs/dbraw/zinc/42/57/32/721425732.db2.gz KXCIMZVIDSVXDU-IYBDPMFKSA-N 1 1 361.474 3.131 20 30 FGEDMO N#Cc1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc2ccccc12 ZINC001164784219 721425843 /nfs/dbraw/zinc/42/58/43/721425843.db2.gz KXCIMZVIDSVXDU-HOTGVXAUSA-N 1 1 361.474 3.131 20 30 FGEDMO N#Cc1cc(Cl)cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911544 721527762 /nfs/dbraw/zinc/52/77/62/721527762.db2.gz XDDLLDHYXMPQSG-AEFFLSMTSA-N 1 1 372.831 3.088 20 30 FGEDMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1C#N ZINC001164908913 721752620 /nfs/dbraw/zinc/75/26/20/721752620.db2.gz OEMSNBQNIVOUPA-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1C#N ZINC001164908913 721752622 /nfs/dbraw/zinc/75/26/22/721752622.db2.gz OEMSNBQNIVOUPA-UHFFFAOYSA-N 1 1 373.460 3.444 20 30 FGEDMO C=CCNc1ncc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)s1 ZINC000676339651 721796397 /nfs/dbraw/zinc/79/63/97/721796397.db2.gz YEXLHTHSPVOMAP-MRXNPFEDSA-N 1 1 356.495 3.088 20 30 FGEDMO Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ccc1C#N ZINC001165021650 721818118 /nfs/dbraw/zinc/81/81/18/721818118.db2.gz FQJMSIVYFBWPEA-TYPHKJRUSA-N 1 1 361.493 3.394 20 30 FGEDMO Cc1cc(C#N)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024502 721828540 /nfs/dbraw/zinc/82/85/40/721828540.db2.gz KJBUZBMKGYPASX-JBACZVJFSA-N 1 1 361.493 3.394 20 30 FGEDMO Cc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C#N)n1 ZINC001164994053 722202093 /nfs/dbraw/zinc/20/20/93/722202093.db2.gz DZNKJFWAEJTIHY-FQEVSTJZSA-N 1 1 351.429 3.041 20 30 FGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1Cl ZINC000685442388 722385120 /nfs/dbraw/zinc/38/51/20/722385120.db2.gz AMLLLXKCQMUXGN-DOTOQJQBSA-N 1 1 350.890 3.200 20 30 FGEDMO C#CCOc1ccccc1CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000734177561 722504999 /nfs/dbraw/zinc/50/49/99/722504999.db2.gz OCAGVESROBUSAP-LJQANCHMSA-N 1 1 356.853 3.271 20 30 FGEDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735308961 722514818 /nfs/dbraw/zinc/51/48/18/722514818.db2.gz ZYFYOSJQEMUNOX-UHFFFAOYSA-N 1 1 363.889 3.321 20 30 FGEDMO Clc1ccc(N[NH+]=Cc2c(N3CCOCC3)nc3ccccn32)cc1 ZINC000741810019 722549327 /nfs/dbraw/zinc/54/93/27/722549327.db2.gz HIIQZUVBRJWONM-UHFFFAOYSA-N 1 1 355.829 3.270 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cn2c(-c3ccccc3)csc2=S)CC1 ZINC000747455242 722647733 /nfs/dbraw/zinc/64/77/33/722647733.db2.gz ZKKQGBHEDXBEIY-UHFFFAOYSA-N 1 1 371.531 3.365 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(Cl)c(OCC)c(OC)c1 ZINC000756544307 722966534 /nfs/dbraw/zinc/96/65/34/722966534.db2.gz PGPJPTFTXSDRGK-AWEZNQCLSA-N 1 1 351.830 3.002 20 30 FGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1sc(C)c(Br)c1OC ZINC000756553779 722966728 /nfs/dbraw/zinc/96/67/28/722966728.db2.gz NHJUAULQOORJFY-LLVKDONJSA-N 1 1 372.284 3.082 20 30 FGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1sc(C)c(Br)c1OC ZINC000756553779 722966729 /nfs/dbraw/zinc/96/67/29/722966729.db2.gz NHJUAULQOORJFY-LLVKDONJSA-N 1 1 372.284 3.082 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000760082804 723037509 /nfs/dbraw/zinc/03/75/09/723037509.db2.gz BODYRUIMIYSVIR-YOEHRIQHSA-N 1 1 367.276 3.071 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000760082804 723037512 /nfs/dbraw/zinc/03/75/12/723037512.db2.gz BODYRUIMIYSVIR-YOEHRIQHSA-N 1 1 367.276 3.071 20 30 FGEDMO CC1CCN(C(=O)OC[C@H]2CCCC[N@H+]2CCCSCC#N)CC1 ZINC000796550195 723643281 /nfs/dbraw/zinc/64/32/81/723643281.db2.gz VJWZNJQIBYNXBH-QGZVFWFLSA-N 1 1 353.532 3.356 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000770687997 723719079 /nfs/dbraw/zinc/71/90/79/723719079.db2.gz LTJNHGKGEYATSQ-YJBOKZPZSA-N 1 1 357.479 3.015 20 30 FGEDMO C=CCNC(=S)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000771847261 723743509 /nfs/dbraw/zinc/74/35/09/723743509.db2.gz GJRIYGNXDOKDJW-QGZVFWFLSA-N 1 1 355.511 3.111 20 30 FGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000799125784 723989550 /nfs/dbraw/zinc/98/95/50/723989550.db2.gz SOTPUFOFDXLCBM-INIZCTEOSA-N 1 1 351.491 3.028 20 30 FGEDMO C=CCN1CC[C@@H]([N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)C1=O ZINC000799126934 723989574 /nfs/dbraw/zinc/98/95/74/723989574.db2.gz CIZZKSQKPFXIKS-RTBURBONSA-N 1 1 356.491 3.071 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)C1=O ZINC000799126934 723989576 /nfs/dbraw/zinc/98/95/76/723989576.db2.gz CIZZKSQKPFXIKS-RTBURBONSA-N 1 1 356.491 3.071 20 30 FGEDMO C#C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000775795824 724062191 /nfs/dbraw/zinc/06/21/91/724062191.db2.gz ZUAPKJGETKDCAO-RIEGTJTDSA-N 1 1 374.790 3.456 20 30 FGEDMO N#CC1(c2ccccn2)CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000800409081 724192910 /nfs/dbraw/zinc/19/29/10/724192910.db2.gz DKEYNHMMQNRMJL-KRWDZBQOSA-N 1 1 359.832 3.465 20 30 FGEDMO N#Cc1ncc(Br)cc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000787895220 725040287 /nfs/dbraw/zinc/04/02/87/725040287.db2.gz SXECHKGFTYQQMK-UHFFFAOYSA-N 1 1 371.282 3.428 20 30 FGEDMO C#C[C@H](NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1ccc(Cl)cc1F ZINC000805198436 725055810 /nfs/dbraw/zinc/05/58/10/725055810.db2.gz PKHUOGOHXIXREP-KSSFIOAISA-N 1 1 365.880 3.431 20 30 FGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805611103 725082452 /nfs/dbraw/zinc/08/24/52/725082452.db2.gz NCTHVDKJXFKVQV-OAHLLOKOSA-N 1 1 364.511 3.069 20 30 FGEDMO CNC(=O)OC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000805828503 725098934 /nfs/dbraw/zinc/09/89/34/725098934.db2.gz JFQACSJFTZGYJY-MRXNPFEDSA-N 1 1 354.372 3.267 20 30 FGEDMO CNC(=O)OC[C@H]1CCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000805828503 725098936 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FGEDMO C[C@@H](CC#N)[N@@H+](C)CCCOc1cccc(I)c1 ZINC000161837461 496246146 /nfs/dbraw/zinc/24/61/46/496246146.db2.gz UJGUEQOFHJCRKK-LBPRGKRZSA-N 1 1 358.223 3.294 20 30 FGEDMO C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000175158878 496270984 /nfs/dbraw/zinc/27/09/84/496270984.db2.gz KXEBCKJAOXYTEP-GOSISDBHSA-N 1 1 362.477 3.364 20 30 FGEDMO COCCCOC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000181119767 496278050 /nfs/dbraw/zinc/27/80/50/496278050.db2.gz KXHJYLMYHNDFLD-UHFFFAOYSA-N 1 1 367.287 3.338 20 30 FGEDMO N#Cc1cccc(CNC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000577994697 505836837 /nfs/dbraw/zinc/83/68/37/505836837.db2.gz RHZXEPWIQLDQKR-FGZHOGPDSA-N 1 1 374.488 3.222 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CCc2ccccn2)c1C ZINC000153015943 496327596 /nfs/dbraw/zinc/32/75/96/496327596.db2.gz UPCBBXFXEVMWGN-UHFFFAOYSA-N 1 1 350.466 3.120 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)CCc2ccccn2)c1C ZINC000153015943 496327605 /nfs/dbraw/zinc/32/76/05/496327605.db2.gz 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C=C(C)CN(CC)C(=O)C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2 ZINC000187448066 496444634 /nfs/dbraw/zinc/44/46/34/496444634.db2.gz CTRWWXPLTNEKOA-INIZCTEOSA-N 1 1 357.498 3.410 20 30 FGEDMO Cc1cnc(CC[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000157498511 496489285 /nfs/dbraw/zinc/48/92/85/496489285.db2.gz OBIIQEPQWMBHTB-UHFFFAOYSA-N 1 1 374.535 3.377 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153557029 496496601 /nfs/dbraw/zinc/49/66/01/496496601.db2.gz XQMNLDXOMDZOBA-KXBFYZLASA-N 1 1 359.495 3.132 20 30 FGEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000153557029 496496607 /nfs/dbraw/zinc/49/66/07/496496607.db2.gz XQMNLDXOMDZOBA-KXBFYZLASA-N 1 1 359.495 3.132 20 30 FGEDMO N#Cc1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000157608601 496514640 /nfs/dbraw/zinc/51/46/40/496514640.db2.gz MPSDTIVCRFVMBO-UHFFFAOYSA-N 1 1 354.385 3.318 20 30 FGEDMO CN(Cc1ccc(C#N)cc1)CC1(C[N@@H+](C)Cc2ccc(C#N)cc2)COC1 ZINC000157622804 496517674 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C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273030882 497787770 /nfs/dbraw/zinc/78/77/70/497787770.db2.gz UZLVZRLAXQKLBL-HZPDHXFCSA-N 1 1 356.470 3.363 20 30 FGEDMO C[C@@H](NC(=O)Nc1cccc(OCC#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273030876 497787840 /nfs/dbraw/zinc/78/78/40/497787840.db2.gz UZLVZRLAXQKLBL-CVEARBPZSA-N 1 1 356.470 3.363 20 30 FGEDMO N#Cc1cnc2ccccc2c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000273050990 497790692 /nfs/dbraw/zinc/79/06/92/497790692.db2.gz BNRDVEYHXJDKRT-IBGZPJMESA-N 1 1 358.445 3.285 20 30 FGEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H](C)C1 ZINC000246710537 497802523 /nfs/dbraw/zinc/80/25/23/497802523.db2.gz NNCCHNMGLBNTSK-CVEARBPZSA-N 1 1 351.454 3.050 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246883938 497818549 /nfs/dbraw/zinc/81/85/49/497818549.db2.gz WXJRCUMZIAQCOW-OWCLPIDISA-N 1 1 361.511 3.112 20 30 FGEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246883938 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355.486 3.439 20 30 FGEDMO CC(=O)N1C[C@H](CCC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000329620883 497848794 /nfs/dbraw/zinc/84/87/94/497848794.db2.gz MWLWQKFGFSNNOW-IRXDYDNUSA-N 1 1 355.482 3.358 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000292049586 497855539 /nfs/dbraw/zinc/85/55/39/497855539.db2.gz BBJNDCDRBIMTDX-HNNXBMFYSA-N 1 1 364.380 3.401 20 30 FGEDMO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncc(-c4ccccc4F)o3)C2)nc1 ZINC000292049586 497855545 /nfs/dbraw/zinc/85/55/45/497855545.db2.gz BBJNDCDRBIMTDX-HNNXBMFYSA-N 1 1 364.380 3.401 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[C@H](C)C1 ZINC000329691279 497870106 /nfs/dbraw/zinc/87/01/06/497870106.db2.gz BUCMERSRYSDFCZ-PNBKFKSVSA-N 1 1 352.523 3.096 20 30 FGEDMO C[C@@H]1[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CCC12CCOCC2 ZINC000329699686 497873671 /nfs/dbraw/zinc/87/36/71/497873671.db2.gz ZFGOMEBJYRHMOQ-HNNXBMFYSA-N 1 1 360.454 3.327 20 30 FGEDMO N#Cc1ccc(CC(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000299634731 497875302 /nfs/dbraw/zinc/87/53/02/497875302.db2.gz SQSLSJJUBQXEQZ-UHFFFAOYSA-N 1 1 359.473 3.150 20 30 FGEDMO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1OCCc2sccc21 ZINC000292125110 497887770 /nfs/dbraw/zinc/88/77/70/497887770.db2.gz AUBPUUKCYSUMIN-XIKOKIGWSA-N 1 1 366.446 3.462 20 30 FGEDMO C[C@]1(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCO[C@H]1C1CC1 ZINC000329754613 497889200 /nfs/dbraw/zinc/88/92/00/497889200.db2.gz KXQNWAIKAPASFK-DYXWJJEUSA-N 1 1 357.498 3.112 20 30 FGEDMO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000329847296 497925144 /nfs/dbraw/zinc/92/51/44/497925144.db2.gz YMRZCXWVZXCSES-YJYMSZOUSA-N 1 1 361.442 3.392 20 30 FGEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000329849133 497926662 /nfs/dbraw/zinc/92/66/62/497926662.db2.gz PWYBFZWRZDALAK-ZIAGYGMSSA-N 1 1 365.437 3.460 20 30 FGEDMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 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DFBHHRGZMNNYSS-HXUWFJFHSA-N 1 1 366.461 3.170 20 30 FGEDMO Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000292292511 497956443 /nfs/dbraw/zinc/95/64/43/497956443.db2.gz UHUIPRNWMMWUDP-GFCCVEGCSA-N 1 1 368.384 3.390 20 30 FGEDMO Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)s1 ZINC000292292511 497956449 /nfs/dbraw/zinc/95/64/49/497956449.db2.gz UHUIPRNWMMWUDP-GFCCVEGCSA-N 1 1 368.384 3.390 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000329998364 497984719 /nfs/dbraw/zinc/98/47/19/497984719.db2.gz SDEKLNJPCFIXOM-HNNXBMFYSA-N 1 1 365.437 3.094 20 30 FGEDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000330013023 497990126 /nfs/dbraw/zinc/99/01/26/497990126.db2.gz LMXZKFCRUIUBMF-SCTDSRPQSA-N 1 1 361.449 3.113 20 30 FGEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H](n4cncn4)C3)c2)c1 ZINC000364513521 497995602 /nfs/dbraw/zinc/99/56/02/497995602.db2.gz UXYYKLMQDJVWQR-FQEVSTJZSA-N 1 1 359.433 3.176 20 30 FGEDMO N#Cc1cccc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)n1 ZINC000301248374 498018985 /nfs/dbraw/zinc/01/89/85/498018985.db2.gz ADFWABXUGMQNQC-UHFFFAOYSA-N 1 1 355.873 3.231 20 30 FGEDMO COC(=O)[C@@H]1C[N@@H+](CCCSCC#N)C[C@H]1c1ccc(Cl)cc1 ZINC000292469276 498027584 /nfs/dbraw/zinc/02/75/84/498027584.db2.gz REAPNTZEMQUGPE-JKSUJKDBSA-N 1 1 352.887 3.175 20 30 FGEDMO Cc1ccc2c(CCNC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c[nH]c2c1 ZINC000330157883 498043583 /nfs/dbraw/zinc/04/35/83/498043583.db2.gz ZNHINRPZSASSCH-FXAWDEMLSA-N 1 1 354.498 3.349 20 30 FGEDMO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000364607701 498046626 /nfs/dbraw/zinc/04/66/26/498046626.db2.gz OTVWWZLRNRJURG-KAGYGMCKSA-N 1 1 374.525 3.423 20 30 FGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCOC3(CCC3)C2)C1 ZINC000330193950 498057138 /nfs/dbraw/zinc/05/71/38/498057138.db2.gz ASBVXTLLQLUECR-BBWFWOEESA-N 1 1 351.535 3.348 20 30 FGEDMO O=C(NCC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330220750 498067448 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C(#CC[NH+]1CCC(OC2CCC2)CC1)CN1CCC(OC2CCC2)CC1 ZINC000419298313 500350299 /nfs/dbraw/zinc/35/02/99/500350299.db2.gz GASQLTXCAWOWLQ-UHFFFAOYSA-N 1 1 360.542 3.057 20 30 FGEDMO C=CCOc1ccc(Br)cc1NCc1c[nH+]c(N(C)C)n1C ZINC000419783003 500397183 /nfs/dbraw/zinc/39/71/83/500397183.db2.gz QCIPLIMHHPFRCF-UHFFFAOYSA-N 1 1 365.275 3.426 20 30 FGEDMO Cc1ccc([C@@]2(C)CC[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cc1 ZINC000432519139 500526138 /nfs/dbraw/zinc/52/61/38/500526138.db2.gz MDSWQJYHZAAYIS-OFNKIYASSA-N 1 1 373.456 3.162 20 30 FGEDMO C=CCC1(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CCOCC1 ZINC000424650596 500535631 /nfs/dbraw/zinc/53/56/31/500535631.db2.gz OFKVCFSAAYMWSF-KRWDZBQOSA-N 1 1 358.482 3.391 20 30 FGEDMO C=CCCn1cc(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nn1 ZINC000424721990 500550328 /nfs/dbraw/zinc/55/03/28/500550328.db2.gz MWROPTMBLFLDQO-MJGOQNOKSA-N 1 1 367.497 3.152 20 30 FGEDMO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000432995446 500603724 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C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000437999549 500726819 /nfs/dbraw/zinc/72/68/19/500726819.db2.gz OQCOEQFUZHONBU-ZSXPUABSSA-N 1 1 371.525 3.272 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448205335 500733070 /nfs/dbraw/zinc/73/30/70/500733070.db2.gz OUVOIDICMWVZOF-GOSISDBHSA-N 1 1 359.514 3.419 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443662692 500752063 /nfs/dbraw/zinc/75/20/63/500752063.db2.gz VPBZMUNWZHCXMV-HZPDHXFCSA-N 1 1 374.529 3.320 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000438446783 500786478 /nfs/dbraw/zinc/78/64/78/500786478.db2.gz GELNSRYWRNOVAC-NJYVYQBISA-N 1 1 371.525 3.274 20 30 FGEDMO C[C@@H]1C[C@]1(C#N)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000448620984 500787828 /nfs/dbraw/zinc/78/78/28/500787828.db2.gz HFUYROGVWWZQHU-RDTXWAMCSA-N 1 1 365.399 3.289 20 30 FGEDMO C[C@@H]1C[C@]1(C#N)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000448620984 500787832 /nfs/dbraw/zinc/78/78/32/500787832.db2.gz HFUYROGVWWZQHU-RDTXWAMCSA-N 1 1 365.399 3.289 20 30 FGEDMO C[C@H](CNC(=O)c1cccc(C#N)c1Br)[N@H+]1CCCC[C@H]1C ZINC000448696330 500806397 /nfs/dbraw/zinc/80/63/97/500806397.db2.gz GUKXKPFZFCIPJT-CHWSQXEVSA-N 1 1 364.287 3.313 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCCC#N ZINC000438853123 500827236 /nfs/dbraw/zinc/82/72/36/500827236.db2.gz CGXUBPQIIDNFLS-YLJYHZDGSA-N 1 1 371.529 3.326 20 30 FGEDMO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCCC#N ZINC000438853123 500827239 /nfs/dbraw/zinc/82/72/39/500827239.db2.gz CGXUBPQIIDNFLS-YLJYHZDGSA-N 1 1 371.529 3.326 20 30 FGEDMO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCCC#N ZINC000438853119 500827373 /nfs/dbraw/zinc/82/73/73/500827373.db2.gz CGXUBPQIIDNFLS-PXNSSMCTSA-N 1 1 371.529 3.326 20 30 FGEDMO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)NCCCCC#N ZINC000438853119 500827376 /nfs/dbraw/zinc/82/73/76/500827376.db2.gz CGXUBPQIIDNFLS-PXNSSMCTSA-N 1 1 371.529 3.326 20 30 FGEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)CCCC1(C)C ZINC000444775243 500897192 /nfs/dbraw/zinc/89/71/92/500897192.db2.gz MHMSMNNQWBWAPF-SFHVURJKSA-N 1 1 357.498 3.394 20 30 FGEDMO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125323 500936521 /nfs/dbraw/zinc/93/65/21/500936521.db2.gz WHCUOXUEFWNTEI-UHFFFAOYSA-N 1 1 351.385 3.003 20 30 FGEDMO COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]CCCC#N ZINC000449233219 500953954 /nfs/dbraw/zinc/95/39/54/500953954.db2.gz KOUNCGAJWHTSCI-UHFFFAOYSA-N 1 1 367.236 3.359 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440571405 501024346 /nfs/dbraw/zinc/02/43/46/501024346.db2.gz YOXQDWAMLUBUCF-SUWCGCSTSA-N 1 1 373.541 3.387 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440571405 501024347 /nfs/dbraw/zinc/02/43/47/501024347.db2.gz YOXQDWAMLUBUCF-SUWCGCSTSA-N 1 1 373.541 3.387 20 30 FGEDMO C=CCOc1c(Br)cc(CNC[C@H](C)[NH+](C)C)cc1OCC ZINC000449556774 501033085 /nfs/dbraw/zinc/03/30/85/501033085.db2.gz OLMPVKBCQKZVJL-ZDUSSCGKSA-N 1 1 371.319 3.452 20 30 FGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCC2 ZINC000449632125 501046639 /nfs/dbraw/zinc/04/66/39/501046639.db2.gz MFDFDZBONYEUBB-MOPGFXCFSA-N 1 1 365.481 3.248 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCN(CC(F)(F)F)C[C@@H](C)C2)cc(OC)c1O ZINC000449663027 501054123 /nfs/dbraw/zinc/05/41/23/501054123.db2.gz IGBAZQBPUCAWJF-AWEZNQCLSA-N 1 1 372.431 3.445 20 30 FGEDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449676638 501058935 /nfs/dbraw/zinc/05/89/35/501058935.db2.gz IRIDVIULDFUXLV-HTAPYJJXSA-N 1 1 366.461 3.109 20 30 FGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000441051986 501080658 /nfs/dbraw/zinc/08/06/58/501080658.db2.gz PGLQJOXTUVKDRL-YJYMSZOUSA-N 1 1 369.852 3.474 20 30 FGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000441051986 501080661 /nfs/dbraw/zinc/08/06/61/501080661.db2.gz PGLQJOXTUVKDRL-YJYMSZOUSA-N 1 1 369.852 3.474 20 30 FGEDMO Cc1oc(C#N)cc1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000436156639 501080665 /nfs/dbraw/zinc/08/06/65/501080665.db2.gz SJBSZMKSJFSDSP-QAPCUYQASA-N 1 1 351.450 3.490 20 30 FGEDMO C=CCC1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCCC1 ZINC000449798264 501089920 /nfs/dbraw/zinc/08/99/20/501089920.db2.gz QBWVKWOSPZSJQV-SFHVURJKSA-N 1 1 355.482 3.211 20 30 FGEDMO C=CCC1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCCC1 ZINC000449798264 501089921 /nfs/dbraw/zinc/08/99/21/501089921.db2.gz QBWVKWOSPZSJQV-SFHVURJKSA-N 1 1 355.482 3.211 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000441245361 501108552 /nfs/dbraw/zinc/10/85/52/501108552.db2.gz MNHGNZMPBPGXKJ-HBMCJLEFSA-N 1 1 371.452 3.102 20 30 FGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441259077 501110136 /nfs/dbraw/zinc/11/01/36/501110136.db2.gz MIQHDBKZKKVOQB-DLBZAZTESA-N 1 1 366.933 3.378 20 30 FGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C1 ZINC000441373417 501129895 /nfs/dbraw/zinc/12/98/95/501129895.db2.gz AYCAETYCYUHBNJ-HRCADAONSA-N 1 1 361.511 3.376 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C1 ZINC000441373417 501129897 /nfs/dbraw/zinc/12/98/97/501129897.db2.gz AYCAETYCYUHBNJ-HRCADAONSA-N 1 1 361.511 3.376 20 30 FGEDMO Cc1nsc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000436484810 501137211 /nfs/dbraw/zinc/13/72/11/501137211.db2.gz FLMLHNQCAHBLTM-CQSZACIVSA-N 1 1 369.494 3.452 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C#N)c2Br)C[C@H]1C ZINC000449973222 501141894 /nfs/dbraw/zinc/14/18/94/501141894.db2.gz QLWSQMHVYVVSTK-OCCSQVGLSA-N 1 1 364.287 3.266 20 30 FGEDMO N#C[C@@H]1C[N@H+](CCc2ccc(Cl)cc2)C[C@@]12C(=O)Nc1ccccc12 ZINC000450615114 501167588 /nfs/dbraw/zinc/16/75/88/501167588.db2.gz OUNYJPIHJLTGSK-FOIQADDNSA-N 1 1 351.837 3.228 20 30 FGEDMO Cc1[nH]c(C#N)cc1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000450207509 501210422 /nfs/dbraw/zinc/21/04/22/501210422.db2.gz FLFNUPCKOBNVPC-MAUKXSAKSA-N 1 1 350.466 3.225 20 30 FGEDMO Cn1c(C#N)ccc1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450296958 501228530 /nfs/dbraw/zinc/22/85/30/501228530.db2.gz HHNIDRIWBNXGKL-UHFFFAOYSA-N 1 1 362.477 3.025 20 30 FGEDMO N#Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000450315188 501231703 /nfs/dbraw/zinc/23/17/03/501231703.db2.gz OKOXUBVHRMIGTC-KRWDZBQOSA-N 1 1 350.422 3.443 20 30 FGEDMO N#CCCC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451195354 501251153 /nfs/dbraw/zinc/25/11/53/501251153.db2.gz UKPRJUFQAMTKHK-CQSZACIVSA-N 1 1 354.235 3.459 20 30 FGEDMO C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000455271715 501260071 /nfs/dbraw/zinc/26/00/71/501260071.db2.gz JBSNVQJWPHPCOA-BJLQDIEVSA-N 1 1 354.498 3.232 20 30 FGEDMO C=CCc1ccc(OC[C@H](O)Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)c(OC)c1 ZINC000451334837 501268982 /nfs/dbraw/zinc/26/89/82/501268982.db2.gz BGNHGNAHUQHUBT-SOLBZPMBSA-N 1 1 370.493 3.431 20 30 FGEDMO COc1ccccc1-c1noc([C@@H](C)[NH2+][C@@H](C)CC2(C#N)CCOCC2)n1 ZINC000602649609 506245261 /nfs/dbraw/zinc/24/52/61/506245261.db2.gz XSWQNUJJLWAJPT-LSDHHAIUSA-N 1 1 370.453 3.495 20 30 FGEDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)ncc1C#N ZINC000457780887 501307731 /nfs/dbraw/zinc/30/77/31/501307731.db2.gz BZQGMHMTNIVLOW-HXUWFJFHSA-N 1 1 362.477 3.292 20 30 FGEDMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1C ZINC000451556430 501323438 /nfs/dbraw/zinc/32/34/38/501323438.db2.gz DHIROEDLTXRMAR-BFYDXBDKSA-N 1 1 361.511 3.376 20 30 FGEDMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1C ZINC000451556430 501323442 /nfs/dbraw/zinc/32/34/42/501323442.db2.gz DHIROEDLTXRMAR-BFYDXBDKSA-N 1 1 361.511 3.376 20 30 FGEDMO C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 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C=C[C@@H]1OCC[C@H]1NC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000459028069 501578807 /nfs/dbraw/zinc/57/88/07/501578807.db2.gz NOIFSJUIOKIIQY-AFYVEPGGSA-N 1 1 357.498 3.197 20 30 FGEDMO N#Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1F ZINC000456842033 501609085 /nfs/dbraw/zinc/60/90/85/501609085.db2.gz RBFUXVIBMJBDCE-FQEVSTJZSA-N 1 1 351.425 3.368 20 30 FGEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459395727 501646063 /nfs/dbraw/zinc/64/60/63/501646063.db2.gz CUWIAJVBHGEGAJ-CQSZACIVSA-N 1 1 356.451 3.407 20 30 FGEDMO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000459474083 501659870 /nfs/dbraw/zinc/65/98/70/501659870.db2.gz YMQABTFKTRNEIB-DUVNUKRYSA-N 1 1 364.287 3.078 20 30 FGEDMO Cc1nsc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1C#N ZINC000459598008 501684438 /nfs/dbraw/zinc/68/44/38/501684438.db2.gz YOGUOBLZMUINKN-HNNXBMFYSA-N 1 1 355.467 3.109 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459664760 501695370 /nfs/dbraw/zinc/69/53/70/501695370.db2.gz PUUHBMDPNBSNDM-CVEARBPZSA-N 1 1 374.447 3.257 20 30 FGEDMO COCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CC=CCC1 ZINC000485145827 501738708 /nfs/dbraw/zinc/73/87/08/501738708.db2.gz WLVUCFINESBALK-MRXNPFEDSA-N 1 1 352.438 3.413 20 30 FGEDMO COCC[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1 ZINC000467281638 501757729 /nfs/dbraw/zinc/75/77/29/501757729.db2.gz WTPIBXZSAJXNFO-JMDAGXMHSA-N 1 1 363.546 3.444 20 30 FGEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](C)c2cccc(Br)c2)C1=O ZINC000467512882 501813048 /nfs/dbraw/zinc/81/30/48/501813048.db2.gz JUVVLNFHUALSAL-CZUORRHYSA-N 1 1 351.288 3.271 20 30 FGEDMO C=CCc1cc(C[NH+]2CCN(c3cnccc3C)CC2)cc(OC)c1O ZINC000467541315 501820289 /nfs/dbraw/zinc/82/02/89/501820289.db2.gz FKWRWRPVEZJQAQ-UHFFFAOYSA-N 1 1 353.466 3.155 20 30 FGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000470836936 501824272 /nfs/dbraw/zinc/82/42/72/501824272.db2.gz RLUQDSRXBVYODB-WTNAPCKOSA-N 1 1 372.472 3.192 20 30 FGEDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C[C@H](CC#N)c2ccccc2)C[C@@H](C)O1 ZINC000474429798 501833445 /nfs/dbraw/zinc/83/34/45/501833445.db2.gz DBQGGZRBFJEYLU-LMMKCTJWSA-N 1 1 357.498 3.078 20 30 FGEDMO C=C(C)Cn1c(COCC)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460588985 501870201 /nfs/dbraw/zinc/87/02/01/501870201.db2.gz YWDYMCPRICYMCF-LJQANCHMSA-N 1 1 369.513 3.101 20 30 FGEDMO C=C(C)C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C(=O)OC ZINC000602733822 506278917 /nfs/dbraw/zinc/27/89/17/506278917.db2.gz LFJKELNIBDUSOP-KRWDZBQOSA-N 1 1 364.873 3.042 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CCC[C@@](C)(O)CC2)c1C#N ZINC000471065781 501908171 /nfs/dbraw/zinc/90/81/71/501908171.db2.gz LWSNYNQSDCIHIR-OAQYLSRUSA-N 1 1 372.513 3.267 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCC[C@@](C)(O)CC2)c1C#N ZINC000471065781 501908177 /nfs/dbraw/zinc/90/81/77/501908177.db2.gz LWSNYNQSDCIHIR-OAQYLSRUSA-N 1 1 372.513 3.267 20 30 FGEDMO C=C(C)Cn1c(C2CC2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460789045 501920573 /nfs/dbraw/zinc/92/05/73/501920573.db2.gz ITBQNKVWMIINES-IBGZPJMESA-N 1 1 351.498 3.442 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCN(c2cccnn2)CC1 ZINC000468135880 501968470 /nfs/dbraw/zinc/96/84/70/501968470.db2.gz HXOCXSPBUKDTSY-UHFFFAOYSA-N 1 1 373.407 3.050 20 30 FGEDMO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCC(=O)Nc1sccc1C#N ZINC000482152717 501990822 /nfs/dbraw/zinc/99/08/22/501990822.db2.gz AKHNYIFJRWBOAG-GOSISDBHSA-N 1 1 370.522 3.304 20 30 FGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NCC(=O)Nc1sccc1C#N ZINC000482152717 501990827 /nfs/dbraw/zinc/99/08/27/501990827.db2.gz AKHNYIFJRWBOAG-GOSISDBHSA-N 1 1 370.522 3.304 20 30 FGEDMO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000486044253 502028971 /nfs/dbraw/zinc/02/89/71/502028971.db2.gz VHNUGUCMDOHJDE-KDOFPFPSSA-N 1 1 365.433 3.495 20 30 FGEDMO C=CC[N@@H+](C[C@H](O)CC1CCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000475048779 502035865 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3.460 20 30 FGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCc3ncnn32)cc1 ZINC000602791583 506300391 /nfs/dbraw/zinc/30/03/91/506300391.db2.gz POXYKEXGIKRYQE-FQEVSTJZSA-N 1 1 361.424 3.479 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000468899372 502222965 /nfs/dbraw/zinc/22/29/65/502222965.db2.gz HTEQZIGFEPTLMG-NJDAHSKKSA-N 1 1 356.510 3.167 20 30 FGEDMO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Br)cn1 ZINC000482956711 502227800 /nfs/dbraw/zinc/22/78/00/502227800.db2.gz FMZLNAJPRUXDCS-VIFPVBQESA-N 1 1 365.256 3.067 20 30 FGEDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)cc1 ZINC000461964526 502254826 /nfs/dbraw/zinc/25/48/26/502254826.db2.gz KKGFNMCCFXBZKC-UXHICEINSA-N 1 1 354.498 3.329 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000486796545 502264806 /nfs/dbraw/zinc/26/48/06/502264806.db2.gz GRNNDHMNHVAEKQ-HXUWFJFHSA-N 1 1 352.482 3.130 20 30 FGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000483081862 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C=C[C@@H]1CCCCN1C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000582582277 506306585 /nfs/dbraw/zinc/30/65/85/506306585.db2.gz GLTXDJGCBHQLNN-MISYRCLQSA-N 1 1 357.498 3.026 20 30 FGEDMO COCCN(C)c1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000483255196 502328440 /nfs/dbraw/zinc/32/84/40/502328440.db2.gz OWTLSZJZCUTUOD-UHFFFAOYSA-N 1 1 362.477 3.325 20 30 FGEDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000483258281 502330248 /nfs/dbraw/zinc/33/02/48/502330248.db2.gz APGSNDJNHRSYQG-SIKLNZKXSA-N 1 1 364.489 3.358 20 30 FGEDMO Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)cc1C#N ZINC000483258834 502331900 /nfs/dbraw/zinc/33/19/00/502331900.db2.gz CVQIUZDRNFFPIJ-OAQYLSRUSA-N 1 1 372.472 3.444 20 30 FGEDMO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)cc1C#N ZINC000483258834 502331901 /nfs/dbraw/zinc/33/19/01/502331901.db2.gz CVQIUZDRNFFPIJ-OAQYLSRUSA-N 1 1 372.472 3.444 20 30 FGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469306555 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3.014 20 30 FGEDMO CCC(CC)[C@H](CNC(=O)[C@H](C#N)CCc1ccccc1)[NH+]1CCOCC1 ZINC000469508386 502445740 /nfs/dbraw/zinc/44/57/40/502445740.db2.gz KSVUTQXIZDNOFZ-SFTDATJTSA-N 1 1 371.525 3.012 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000483633110 502448789 /nfs/dbraw/zinc/44/87/89/502448789.db2.gz FPZOVCTXCNPNNZ-DYESRHJHSA-N 1 1 355.478 3.423 20 30 FGEDMO C[C@@H]1CCN(C(=O)c2ccc(F)c(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000469716973 502515729 /nfs/dbraw/zinc/51/57/29/502515729.db2.gz WWWOXNOYEACKDY-MRXNPFEDSA-N 1 1 351.425 3.434 20 30 FGEDMO C=CCCCCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000473311220 502564398 /nfs/dbraw/zinc/56/43/98/502564398.db2.gz SEWRINICBPDAPX-INIZCTEOSA-N 1 1 357.498 3.458 20 30 FGEDMO CC(C)[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@H+]1C ZINC000487947356 502574548 /nfs/dbraw/zinc/57/45/48/502574548.db2.gz LHCPARCQCOECOU-QGZVFWFLSA-N 1 1 374.554 3.099 20 30 FGEDMO C=CCn1cccc1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000469867854 502575675 /nfs/dbraw/zinc/57/56/75/502575675.db2.gz WCHTXJXGEBSDDF-SFHVURJKSA-N 1 1 355.507 3.022 20 30 FGEDMO C=CCn1cccc1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000469867854 502575679 /nfs/dbraw/zinc/57/56/79/502575679.db2.gz WCHTXJXGEBSDDF-SFHVURJKSA-N 1 1 355.507 3.022 20 30 FGEDMO CN1CC[N@@H+](CCCNc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000462928155 502629278 /nfs/dbraw/zinc/62/92/78/502629278.db2.gz XKXPXXOLIBRHQH-OAQYLSRUSA-N 1 1 352.457 3.488 20 30 FGEDMO C[N@@H+]1CCN(CCCNc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000462928155 502629285 /nfs/dbraw/zinc/62/92/85/502629285.db2.gz XKXPXXOLIBRHQH-OAQYLSRUSA-N 1 1 352.457 3.488 20 30 FGEDMO C[N@H+]1CCN(CCCNc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000462928155 502629292 /nfs/dbraw/zinc/62/92/92/502629292.db2.gz XKXPXXOLIBRHQH-OAQYLSRUSA-N 1 1 352.457 3.488 20 30 FGEDMO CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cc(C#N)c[nH]1 ZINC000473601511 502651581 /nfs/dbraw/zinc/65/15/81/502651581.db2.gz UMJYGKDWFOJFOO-LJQANCHMSA-N 1 1 350.466 3.089 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477040647 502657692 /nfs/dbraw/zinc/65/76/92/502657692.db2.gz BKUWQNNHVRAELE-RXVVDRJESA-N 1 1 355.482 3.214 20 30 FGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2cccc(C#N)c2)C1 ZINC000466813578 502691717 /nfs/dbraw/zinc/69/17/17/502691717.db2.gz PUYTWEKHRDKABA-GHTZIAJQSA-N 1 1 368.525 3.397 20 30 FGEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000470202790 502703939 /nfs/dbraw/zinc/70/39/39/502703939.db2.gz LIIWITKAHIBMOC-VBKFSLOCSA-N 1 1 363.421 3.087 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000470331028 502738323 /nfs/dbraw/zinc/73/83/23/502738323.db2.gz UGOSFLFPJJPTEB-JOCHJYFZSA-N 1 1 364.445 3.129 20 30 FGEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000470331028 502738327 /nfs/dbraw/zinc/73/83/27/502738327.db2.gz UGOSFLFPJJPTEB-JOCHJYFZSA-N 1 1 364.445 3.129 20 30 FGEDMO C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@@H+](C)C1CC1 ZINC000477443903 502776113 /nfs/dbraw/zinc/77/61/13/502776113.db2.gz DLKZDPIJYXTOOO-DMKPSLHHSA-N 1 1 370.497 3.030 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCO2)c1 ZINC000467153385 502803564 /nfs/dbraw/zinc/80/35/64/502803564.db2.gz UWAOYDVGWLMBDM-UYAOXDASSA-N 1 1 357.498 3.440 20 30 FGEDMO COCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H]1CC=CCC1 ZINC000485116665 502816986 /nfs/dbraw/zinc/81/69/86/502816986.db2.gz DKEWPFFZWOXXQJ-IBGZPJMESA-N 1 1 355.482 3.238 20 30 FGEDMO C[C@H]1C[C@@H](CCNC(=O)N2CCC(F)(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000500599483 502823720 /nfs/dbraw/zinc/82/37/20/502823720.db2.gz JUKJPVRWXFPXHP-PKOBYXMFSA-N 1 1 372.488 3.324 20 30 FGEDMO C=CCn1cccc1C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000488902309 502834981 /nfs/dbraw/zinc/83/49/81/502834981.db2.gz VTHKVCQYIPXMNO-INIZCTEOSA-N 1 1 358.511 3.033 20 30 FGEDMO C=CCCc1ccccc1NC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000505036245 502843563 /nfs/dbraw/zinc/84/35/63/502843563.db2.gz URNUTCFMYZEQEJ-UHFFFAOYSA-N 1 1 358.530 3.344 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602886065 506337876 /nfs/dbraw/zinc/33/78/76/506337876.db2.gz GDDGDKMJOVMQND-INIZCTEOSA-N 1 1 359.389 3.399 20 30 FGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602886065 506337882 /nfs/dbraw/zinc/33/78/82/506337882.db2.gz GDDGDKMJOVMQND-INIZCTEOSA-N 1 1 359.389 3.399 20 30 FGEDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)CCC#N ZINC000513135579 502861367 /nfs/dbraw/zinc/86/13/67/502861367.db2.gz LRRYDIDLAZYXFU-LJQANCHMSA-N 1 1 371.529 3.407 20 30 FGEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593018199 506339223 /nfs/dbraw/zinc/33/92/23/506339223.db2.gz PRBHUWWSPIMOSN-OAHLLOKOSA-N 1 1 368.412 3.484 20 30 FGEDMO C=C(C)CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000509330899 502876088 /nfs/dbraw/zinc/87/60/88/502876088.db2.gz JNUIINPMWMFWIV-ZDUSSCGKSA-N 1 1 352.276 3.461 20 30 FGEDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc(C#N)ccc2[N+](=O)[O-])cc1 ZINC000599140451 506341045 /nfs/dbraw/zinc/34/10/45/506341045.db2.gz SVJFICRYWRJMLT-MRXNPFEDSA-N 1 1 352.394 3.161 20 30 FGEDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2cc(C#N)ccc2[N+](=O)[O-])cc1 ZINC000599140451 506341049 /nfs/dbraw/zinc/34/10/49/506341049.db2.gz SVJFICRYWRJMLT-MRXNPFEDSA-N 1 1 352.394 3.161 20 30 FGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513371991 502917331 /nfs/dbraw/zinc/91/73/31/502917331.db2.gz RQZPQDKPWKKOKA-UHFFFAOYSA-N 1 1 366.440 3.238 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](C(=O)N[C@H](C)CCC)C2)c1C ZINC000497400762 502948101 /nfs/dbraw/zinc/94/81/01/502948101.db2.gz LDLBIJGOXBIXPG-APWZRJJASA-N 1 1 373.541 3.490 20 30 FGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](C(=O)N[C@H](C)CCC)C2)c1C ZINC000497400762 502948106 /nfs/dbraw/zinc/94/81/06/502948106.db2.gz LDLBIJGOXBIXPG-APWZRJJASA-N 1 1 373.541 3.490 20 30 FGEDMO C=CCN(CCc1ccco1)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000497412995 502952429 /nfs/dbraw/zinc/95/24/29/502952429.db2.gz XUHOFAOUAVMTRF-SFHVURJKSA-N 1 1 367.493 3.467 20 30 FGEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000509664262 502961008 /nfs/dbraw/zinc/96/10/08/502961008.db2.gz HBVHJTGBCYQSOK-IRXDYDNUSA-N 1 1 363.461 3.302 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000509663323 502961405 /nfs/dbraw/zinc/96/14/05/502961405.db2.gz BXURNBJABDYVSK-DLBZAZTESA-N 1 1 363.461 3.302 20 30 FGEDMO C=CCCCS(=O)(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000489489818 502971230 /nfs/dbraw/zinc/97/12/30/502971230.db2.gz MSLHSYPUNXQOEL-MJGOQNOKSA-N 1 1 350.528 3.267 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000497722261 503024470 /nfs/dbraw/zinc/02/44/70/503024470.db2.gz BAPOORPKICPSKN-LJQANCHMSA-N 1 1 369.461 3.406 20 30 FGEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000510201346 503069852 /nfs/dbraw/zinc/06/98/52/503069852.db2.gz UATAHHPTIXJANE-HKUYNNGSSA-N 1 1 368.481 3.124 20 30 FGEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000510201346 503069856 /nfs/dbraw/zinc/06/98/56/503069856.db2.gz UATAHHPTIXJANE-HKUYNNGSSA-N 1 1 368.481 3.124 20 30 FGEDMO COC1CC(CCNc2cc(C)[nH+]c(NCCC3CC(OC)C3)c2C#N)C1 ZINC000596308219 506350808 /nfs/dbraw/zinc/35/08/08/506350808.db2.gz HRVUSUOPGYTTLZ-UHFFFAOYSA-N 1 1 372.513 3.138 20 30 FGEDMO Cc1nc2ccccn2c1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000506279227 503084004 /nfs/dbraw/zinc/08/40/04/503084004.db2.gz DMMOFEBQVSJUNI-UHFFFAOYSA-N 1 1 359.477 3.222 20 30 FGEDMO Cc1nc2ccccn2c1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506279227 503084008 /nfs/dbraw/zinc/08/40/08/503084008.db2.gz DMMOFEBQVSJUNI-UHFFFAOYSA-N 1 1 359.477 3.222 20 30 FGEDMO Cc1nc2ccccn2c1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506279227 503084010 /nfs/dbraw/zinc/08/40/10/503084010.db2.gz DMMOFEBQVSJUNI-UHFFFAOYSA-N 1 1 359.477 3.222 20 30 FGEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000514191405 503109053 /nfs/dbraw/zinc/10/90/53/503109053.db2.gz XVAJNYYHDPATTO-RTWAWAEBSA-N 1 1 350.462 3.314 20 30 FGEDMO Cc1noc(C2(C)CC[NH+](Cc3ccc(C#N)cc3OC(F)F)CC2)n1 ZINC000510424580 503112262 /nfs/dbraw/zinc/11/22/62/503112262.db2.gz LKULFQAIHZEKNL-UHFFFAOYSA-N 1 1 362.380 3.405 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)cn1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602926074 506355243 /nfs/dbraw/zinc/35/52/43/506355243.db2.gz PAFVWGZGYLWXCF-INIZCTEOSA-N 1 1 366.248 3.132 20 30 FGEDMO C[N@H+](Cc1ccc(C#N)cn1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000602926074 506355247 /nfs/dbraw/zinc/35/52/47/506355247.db2.gz PAFVWGZGYLWXCF-INIZCTEOSA-N 1 1 366.248 3.132 20 30 FGEDMO N#Cc1ccc(Cl)c(C(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000506789740 503172246 /nfs/dbraw/zinc/17/22/46/503172246.db2.gz WQDNKYTYWHGLLV-UHFFFAOYSA-N 1 1 359.882 3.274 20 30 FGEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000502471343 503204756 /nfs/dbraw/zinc/20/47/56/503204756.db2.gz WGKYQJRZURDJHH-HXUWFJFHSA-N 1 1 363.505 3.412 20 30 FGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ZINC000502471343 503204760 /nfs/dbraw/zinc/20/47/60/503204760.db2.gz WGKYQJRZURDJHH-HXUWFJFHSA-N 1 1 363.505 3.412 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1C ZINC000498574287 503216694 /nfs/dbraw/zinc/21/66/94/503216694.db2.gz YDPRZMMCOCVKKR-HOTGVXAUSA-N 1 1 364.449 3.300 20 30 FGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510944447 503223176 /nfs/dbraw/zinc/22/31/76/503223176.db2.gz GAGOXZLKUSCBND-UKRRQHHQSA-N 1 1 353.388 3.400 20 30 FGEDMO COCc1ccccc1/C=C(\C)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000507067656 503223931 /nfs/dbraw/zinc/22/39/31/503223931.db2.gz OHAYLBHDIRIUDH-NBVRZTHBSA-N 1 1 362.477 3.325 20 30 FGEDMO O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000511071736 503246486 /nfs/dbraw/zinc/24/64/86/503246486.db2.gz BIQFQZQNFSDRIK-HNNXBMFYSA-N 1 1 372.818 3.472 20 30 FGEDMO CC[N@@H+](CCC(=O)NCC(=O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000511118133 503259737 /nfs/dbraw/zinc/25/97/37/503259737.db2.gz ZQZPFZZSUJWNRL-QGZVFWFLSA-N 1 1 363.461 3.330 20 30 FGEDMO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1OCCc2sccc21 ZINC000515336332 503317627 /nfs/dbraw/zinc/31/76/27/503317627.db2.gz QGXXPZHXRWIPHI-KPZWWZAWSA-N 1 1 366.446 3.462 20 30 FGEDMO CC1CCN(C[C@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507602214 503329269 /nfs/dbraw/zinc/32/92/69/503329269.db2.gz PPQDUAYTXYTEQX-ATKRNPRHSA-N 1 1 355.526 3.073 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(CCOc3ccccc3C#N)CC2)c1 ZINC000507721130 503355614 /nfs/dbraw/zinc/35/56/14/503355614.db2.gz YXYFKZWQYFMRDA-SFHVURJKSA-N 1 1 365.477 3.324 20 30 FGEDMO C=CC[NH+](CC=C)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000515548417 503362831 /nfs/dbraw/zinc/36/28/31/503362831.db2.gz ZURRCOSKBGRDMX-UHFFFAOYSA-N 1 1 367.415 3.028 20 30 FGEDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](CC)CO1 ZINC000593059430 506367378 /nfs/dbraw/zinc/36/73/78/506367378.db2.gz QZITVXAHEJEMIP-ZIAGYGMSSA-N 1 1 361.511 3.326 20 30 FGEDMO CCN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000507834750 503376196 /nfs/dbraw/zinc/37/61/96/503376196.db2.gz WCUDSUVKJUCFOZ-UHFFFAOYSA-N 1 1 363.461 3.455 20 30 FGEDMO CCOC(=O)CC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000492603680 503376715 /nfs/dbraw/zinc/37/67/15/503376715.db2.gz BUDLOPFHUHYCGK-UHFFFAOYSA-N 1 1 365.271 3.486 20 30 FGEDMO C[NH+](C)Cc1ccc(NC(=O)c2cc(C#N)ccn2)cc1Br ZINC000507885075 503387209 /nfs/dbraw/zinc/38/72/09/503387209.db2.gz IHACNOSJYFMQDR-UHFFFAOYSA-N 1 1 359.227 3.030 20 30 FGEDMO CC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)CO1 ZINC000593064334 506370188 /nfs/dbraw/zinc/37/01/88/506370188.db2.gz RYTWBFQIVBGXED-KBPBESRZSA-N 1 1 361.511 3.326 20 30 FGEDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)CO1 ZINC000593064334 506370194 /nfs/dbraw/zinc/37/01/94/506370194.db2.gz RYTWBFQIVBGXED-KBPBESRZSA-N 1 1 361.511 3.326 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C ZINC000499563629 503432649 /nfs/dbraw/zinc/43/26/49/503432649.db2.gz QMEDMWHBIIXWIF-RYUDHWBXSA-N 1 1 352.385 3.106 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccccc1Br)[C@@H]1CCC[C@@H]1C#N ZINC000602979746 506372402 /nfs/dbraw/zinc/37/24/02/506372402.db2.gz HTDJVJQIAIFIJJ-IUODEOHRSA-N 1 1 350.260 3.402 20 30 FGEDMO C=CCn1c(C)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000508491030 503504835 /nfs/dbraw/zinc/50/48/35/503504835.db2.gz SHSGNNLVENKPJP-VQTJNVASSA-N 1 1 351.498 3.263 20 30 FGEDMO COCC[N@@H+](C)CC[C@@H](NC(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000508498062 503505922 /nfs/dbraw/zinc/50/59/22/503505922.db2.gz PKEDCWPDOVVZOS-LJQANCHMSA-N 1 1 372.513 3.031 20 30 FGEDMO C=CCn1c(CC(C)C)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000508502498 503506877 /nfs/dbraw/zinc/50/68/77/503506877.db2.gz BJSOFNZEWSQDDO-UHFFFAOYSA-N 1 1 357.477 3.124 20 30 FGEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@H](C)C2)c1C#N ZINC000508621537 503530765 /nfs/dbraw/zinc/53/07/65/503530765.db2.gz MGSQRCVKJVGMNF-AWEZNQCLSA-N 1 1 368.456 3.444 20 30 FGEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@H](C)C2)c1C#N ZINC000508621537 503530771 /nfs/dbraw/zinc/53/07/71/503530771.db2.gz MGSQRCVKJVGMNF-AWEZNQCLSA-N 1 1 368.456 3.444 20 30 FGEDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C#N)c3F)CC2)nc1 ZINC000512409852 503541282 /nfs/dbraw/zinc/54/12/82/503541282.db2.gz PSXUOTHZQILXMI-UHFFFAOYSA-N 1 1 352.413 3.252 20 30 FGEDMO C=CCn1c(-c2ccoc2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000508834191 503573213 /nfs/dbraw/zinc/57/32/13/503573213.db2.gz SNCOXDYBPKHZQH-YJBOKZPZSA-N 1 1 353.470 3.177 20 30 FGEDMO N#Cc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)c1 ZINC000494621169 503576638 /nfs/dbraw/zinc/57/66/38/503576638.db2.gz NMWHXXHOGLWBMJ-UHFFFAOYSA-N 1 1 353.332 3.007 20 30 FGEDMO CN(C)c1cc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc[nH+]1 ZINC000500410608 503616993 /nfs/dbraw/zinc/61/69/93/503616993.db2.gz NATKZUNNCSZDNL-UHFFFAOYSA-N 1 1 362.389 3.444 20 30 FGEDMO COc1cc(C)nc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512802959 503634905 /nfs/dbraw/zinc/63/49/05/503634905.db2.gz YQFHUNDMQIVNSO-UHFFFAOYSA-N 1 1 355.413 3.453 20 30 FGEDMO COc1cc(C)[nH+]c(CN2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512802959 503634908 /nfs/dbraw/zinc/63/49/08/503634908.db2.gz YQFHUNDMQIVNSO-UHFFFAOYSA-N 1 1 355.413 3.453 20 30 FGEDMO CN(C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000512826227 503640627 /nfs/dbraw/zinc/64/06/27/503640627.db2.gz BXMSKITXNWYYCX-UHFFFAOYSA-N 1 1 373.472 3.332 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000536740932 503705597 /nfs/dbraw/zinc/70/55/97/503705597.db2.gz ZYLKIIZVQZOCBA-CQSZACIVSA-N 1 1 351.853 3.248 20 30 FGEDMO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000495231770 503706431 /nfs/dbraw/zinc/70/64/31/503706431.db2.gz PUUDSFNAMYAVDF-OAQYLSRUSA-N 1 1 372.513 3.267 20 30 FGEDMO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000495231770 503706435 /nfs/dbraw/zinc/70/64/35/503706435.db2.gz PUUDSFNAMYAVDF-OAQYLSRUSA-N 1 1 372.513 3.267 20 30 FGEDMO C[C@H](Nc1ccc2cc(C#N)ccc2n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000536768708 503718697 /nfs/dbraw/zinc/71/86/97/503718697.db2.gz VWJQNDZCUQMQRY-HTAPYJJXSA-N 1 1 372.472 3.230 20 30 FGEDMO C[C@H](Nc1ccc2cc(C#N)ccc2n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000536768708 503718702 /nfs/dbraw/zinc/71/87/02/503718702.db2.gz VWJQNDZCUQMQRY-HTAPYJJXSA-N 1 1 372.472 3.230 20 30 FGEDMO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C(F)F)C(=O)NC1(C#N)CCC1 ZINC000527302666 503757612 /nfs/dbraw/zinc/75/76/12/503757612.db2.gz RTQABYGQOWSSJY-RYUDHWBXSA-N 1 1 361.396 3.033 20 30 FGEDMO C=CCOc1ccccc1CNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000517679538 503805893 /nfs/dbraw/zinc/80/58/93/503805893.db2.gz XTLMPPIRXBNIAZ-ZWOKBUDYSA-N 1 1 360.498 3.001 20 30 FGEDMO C=CCCC[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000537186700 503832749 /nfs/dbraw/zinc/83/27/49/503832749.db2.gz CSUPCGGQOYECJR-LJQANCHMSA-N 1 1 372.557 3.368 20 30 FGEDMO Cc1ccc2c(c1)[nH]cc2C1=CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000533486969 503862884 /nfs/dbraw/zinc/86/28/84/503862884.db2.gz ICHCFNHHTBZFEC-JOCHJYFZSA-N 1 1 362.477 3.374 20 30 FGEDMO Cc1ccc2c(c1)[nH]cc2C1=CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000533486969 503862889 /nfs/dbraw/zinc/86/28/89/503862889.db2.gz ICHCFNHHTBZFEC-JOCHJYFZSA-N 1 1 362.477 3.374 20 30 FGEDMO Cc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)ncc1Br ZINC000533882916 503979105 /nfs/dbraw/zinc/97/91/05/503979105.db2.gz OCFOKHNCHXZWMN-UHFFFAOYSA-N 1 1 371.282 3.346 20 30 FGEDMO Cc1cc(NCC[C@@H]2CCCOC2)c(C#N)c(NCC[C@H]2CCCOC2)[nH+]1 ZINC000528076359 504061637 /nfs/dbraw/zinc/06/16/37/504061637.db2.gz YVSJCFSQYBXQED-ZWKOTPCHSA-N 1 1 372.513 3.141 20 30 FGEDMO C=CCn1c(SC[C@H](O)C[N@H+](C)CC)nnc1-c1ccc(Cl)cc1 ZINC000518796283 504067116 /nfs/dbraw/zinc/06/71/16/504067116.db2.gz ZGZWEYIZHNKDHV-OAHLLOKOSA-N 1 1 366.918 3.189 20 30 FGEDMO COC(=O)c1ccc(N2CC[N@@H+](Cc3ccc(CC#N)cc3)[C@H](C)C2)cc1 ZINC000541272236 504068599 /nfs/dbraw/zinc/06/85/99/504068599.db2.gz PXNADDLJEKQULU-QGZVFWFLSA-N 1 1 363.461 3.250 20 30 FGEDMO CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000518899470 504088845 /nfs/dbraw/zinc/08/88/45/504088845.db2.gz YDHHFEDXSJIYTL-QGZVFWFLSA-N 1 1 365.433 3.039 20 30 FGEDMO C=C(C)[C@@H](CC(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1)OCC ZINC000534403212 504132266 /nfs/dbraw/zinc/13/22/66/504132266.db2.gz LVWUKLSKWKCXGP-HXUWFJFHSA-N 1 1 359.514 3.134 20 30 FGEDMO C=C(C)[C@H](CC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)OCC ZINC000534423407 504138908 /nfs/dbraw/zinc/13/89/08/504138908.db2.gz YYMRDEGXNCAJBP-PMACEKPBSA-N 1 1 359.514 3.266 20 30 FGEDMO COC(=O)c1cccc(C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)c1C#N ZINC000534431405 504141115 /nfs/dbraw/zinc/14/11/15/504141115.db2.gz ISDXWBHYCJFYIC-INIZCTEOSA-N 1 1 350.418 3.343 20 30 FGEDMO C=CCOc1cccnc1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000538252648 504177989 /nfs/dbraw/zinc/17/79/89/504177989.db2.gz XWSBYJUFZFPVPG-QZTJIDSGSA-N 1 1 357.498 3.373 20 30 FGEDMO COC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(F)cc1 ZINC000538277333 504184889 /nfs/dbraw/zinc/18/48/89/504184889.db2.gz RXJAFGQIJMGVTH-KRWDZBQOSA-N 1 1 361.804 3.267 20 30 FGEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](C[C@H](O)COc1ccccc1C#N)[C@H]2C ZINC000528442473 504225650 /nfs/dbraw/zinc/22/56/50/504225650.db2.gz MDHSNPNWPYAESP-BXWFABGCSA-N 1 1 366.461 3.314 20 30 FGEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000528487729 504243974 /nfs/dbraw/zinc/24/39/74/504243974.db2.gz LDLVVFHFAVVIOX-DOTOQJQBSA-N 1 1 368.399 3.352 20 30 FGEDMO N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000528515044 504255196 /nfs/dbraw/zinc/25/51/96/504255196.db2.gz DKKUUTKNZNYHLP-APWZRJJASA-N 1 1 358.388 3.413 20 30 FGEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000528515044 504255201 /nfs/dbraw/zinc/25/52/01/504255201.db2.gz DKKUUTKNZNYHLP-APWZRJJASA-N 1 1 358.388 3.413 20 30 FGEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC3(CC2)OCCc2ccsc23)c1 ZINC000541844877 504273476 /nfs/dbraw/zinc/27/34/76/504273476.db2.gz VWUKGIGBCRKDDB-UHFFFAOYSA-N 1 1 367.474 3.122 20 30 FGEDMO N#Cc1cccc(Cc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1 ZINC000531400724 504294191 /nfs/dbraw/zinc/29/41/91/504294191.db2.gz DXONMWZRWXGUHV-UHFFFAOYSA-N 1 1 360.417 3.031 20 30 FGEDMO C=CCOCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601245 504299210 /nfs/dbraw/zinc/29/92/10/504299210.db2.gz PRHIMBSDDYEAOJ-FUHWJXTLSA-N 1 1 354.853 3.322 20 30 FGEDMO C=CCOCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538601245 504299215 /nfs/dbraw/zinc/29/92/15/504299215.db2.gz PRHIMBSDDYEAOJ-FUHWJXTLSA-N 1 1 354.853 3.322 20 30 FGEDMO CC(C)(C)[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000519846214 504361739 /nfs/dbraw/zinc/36/17/39/504361739.db2.gz KEQJXHKWWIFYCW-UHFFFAOYSA-N 1 1 357.479 3.028 20 30 FGEDMO CC(C)(C)[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1 ZINC000519846214 504361743 /nfs/dbraw/zinc/36/17/43/504361743.db2.gz KEQJXHKWWIFYCW-UHFFFAOYSA-N 1 1 357.479 3.028 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1(CO)CCC1 ZINC000519858475 504366349 /nfs/dbraw/zinc/36/63/49/504366349.db2.gz BQKIYIZMPPNYAP-UHFFFAOYSA-N 1 1 361.511 3.064 20 30 FGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000538782701 504369308 /nfs/dbraw/zinc/36/93/08/504369308.db2.gz ABVIXCYDUYOJGL-SFHVURJKSA-N 1 1 359.433 3.011 20 30 FGEDMO C=CC[N@H+](CCc1c(C)noc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000535205722 504371570 /nfs/dbraw/zinc/37/15/70/504371570.db2.gz IGMZBGTXJGOVDF-OAHLLOKOSA-N 1 1 352.442 3.059 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)Cc1cccc(Br)c1 ZINC000531841513 504442700 /nfs/dbraw/zinc/44/27/00/504442700.db2.gz KXFIZCUNROQYQI-AWEZNQCLSA-N 1 1 366.303 3.279 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)Cc1cccc(Br)c1 ZINC000531841513 504442706 /nfs/dbraw/zinc/44/27/06/504442706.db2.gz KXFIZCUNROQYQI-AWEZNQCLSA-N 1 1 366.303 3.279 20 30 FGEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Br)cc2C#N)C1 ZINC000520444310 504499980 /nfs/dbraw/zinc/49/99/80/504499980.db2.gz VIBYVHAUKSMFOZ-OAHLLOKOSA-N 1 1 362.315 3.484 20 30 FGEDMO 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C[C@]1(C#N)CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000612115409 506443776 /nfs/dbraw/zinc/44/37/76/506443776.db2.gz ILIPDVKHKCAUQD-PZJWPPBQSA-N 1 1 354.498 3.234 20 30 FGEDMO COCc1cc(C#N)ccc1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000603280430 506475650 /nfs/dbraw/zinc/47/56/50/506475650.db2.gz WGBNHVLKPQKLBC-UHFFFAOYSA-N 1 1 351.450 3.149 20 30 FGEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000589210645 506486611 /nfs/dbraw/zinc/48/66/11/506486611.db2.gz ZECVVVIBVVQIAO-UHFFFAOYSA-N 1 1 350.422 3.498 20 30 FGEDMO COc1ccccc1CCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC000589286202 506506875 /nfs/dbraw/zinc/50/68/75/506506875.db2.gz YOEFKQPIIDHKRH-UHFFFAOYSA-N 1 1 356.495 3.087 20 30 FGEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599581837 506509232 /nfs/dbraw/zinc/50/92/32/506509232.db2.gz KOAZMSZRXNYENX-IRXDYDNUSA-N 1 1 350.503 3.387 20 30 FGEDMO CCC(CC)[C@@H](CNc1nc2c(cc1C#N)CCCC2)[NH+]1CCOCC1 ZINC000599658052 506560480 /nfs/dbraw/zinc/56/04/80/506560480.db2.gz MSLHKCNRVFCKFP-HXUWFJFHSA-N 1 1 356.514 3.381 20 30 FGEDMO COc1ccc(OCC[N@H+]2CCc3c(CC#N)cccc3C2)c([N+](=O)[O-])c1 ZINC000599679024 506574422 /nfs/dbraw/zinc/57/44/22/506574422.db2.gz OAUFRCYLJSUAFG-UHFFFAOYSA-N 1 1 367.405 3.107 20 30 FGEDMO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)cc1F ZINC000599679749 506577304 /nfs/dbraw/zinc/57/73/04/506577304.db2.gz OFNLPIYTNYXPLQ-NBQZKYEYSA-N 1 1 361.461 3.067 20 30 FGEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)cc1F ZINC000599679749 506577310 /nfs/dbraw/zinc/57/73/10/506577310.db2.gz OFNLPIYTNYXPLQ-NBQZKYEYSA-N 1 1 361.461 3.067 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1(C#N)CCCC1 ZINC000593370485 506579694 /nfs/dbraw/zinc/57/96/94/506579694.db2.gz LUBMQUCNVIKZEV-PKOBYXMFSA-N 1 1 354.498 3.280 20 30 FGEDMO N#CCc1cccc2c1CC[N@H+](CCC(=O)Nc1sccc1C#N)C2 ZINC000599685850 506580052 /nfs/dbraw/zinc/58/00/52/506580052.db2.gz LLGHNMKMYZLYFP-UHFFFAOYSA-N 1 1 350.447 3.073 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1(C#N)CCCC1 ZINC000593370482 506580512 /nfs/dbraw/zinc/58/05/12/506580512.db2.gz LUBMQUCNVIKZEV-IEBWSBKVSA-N 1 1 354.498 3.280 20 30 FGEDMO C[C@H]1C[C@@H](NC(=O)NCC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000593374270 506583470 /nfs/dbraw/zinc/58/34/70/506583470.db2.gz YHYVXLKQGMQCHC-HKUYNNGSSA-N 1 1 354.498 3.423 20 30 FGEDMO CC[C@@H](C#N)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000593412467 506607394 /nfs/dbraw/zinc/60/73/94/506607394.db2.gz VODXUWLOQAXLAY-KGLIPLIRSA-N 1 1 360.433 3.127 20 30 FGEDMO CC[C@@H](C#N)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000593412467 506607399 /nfs/dbraw/zinc/60/73/99/506607399.db2.gz VODXUWLOQAXLAY-KGLIPLIRSA-N 1 1 360.433 3.127 20 30 FGEDMO COc1ccc(C)cc1C[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000603842587 506632776 /nfs/dbraw/zinc/63/27/76/506632776.db2.gz DNYNWUVWDQKQTC-UHFFFAOYSA-N 1 1 362.477 3.081 20 30 FGEDMO CC[C@H](C#N)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000593497922 506653281 /nfs/dbraw/zinc/65/32/81/506653281.db2.gz OHPVMMQJCBILLI-IAGOWNOFSA-N 1 1 367.415 3.449 20 30 FGEDMO CC[C@@H](C#N)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000593497924 506653679 /nfs/dbraw/zinc/65/36/79/506653679.db2.gz OHPVMMQJCBILLI-SJORKVTESA-N 1 1 367.415 3.449 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000596904963 506666853 /nfs/dbraw/zinc/66/68/53/506666853.db2.gz RJLSHZYIIMVXOD-CYBMUJFWSA-N 1 1 365.275 3.315 20 30 FGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000596909844 506671295 /nfs/dbraw/zinc/67/12/95/506671295.db2.gz AMRPQHUZVTWSAF-IBGZPJMESA-N 1 1 366.440 3.478 20 30 FGEDMO CC[C@H](C#N)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593540382 506677812 /nfs/dbraw/zinc/67/78/12/506677812.db2.gz ULVSZHFNWPSABN-MSOLQXFVSA-N 1 1 351.454 3.127 20 30 FGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000608784391 506709568 /nfs/dbraw/zinc/70/95/68/506709568.db2.gz LEXMSTDOCKUOOE-WOJBJXKFSA-N 1 1 350.462 3.290 20 30 FGEDMO CCC[N@@H+](C)[C@H](CNC(=O)Cc1ccc(C#N)nc1)c1ccc(Cl)cc1 ZINC000599928346 506716735 /nfs/dbraw/zinc/71/67/35/506716735.db2.gz MTQDVEZHZGYBPO-LJQANCHMSA-N 1 1 370.884 3.348 20 30 FGEDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000608812970 506717292 /nfs/dbraw/zinc/71/72/92/506717292.db2.gz SQSLSIGJWFGRSG-KRWDZBQOSA-N 1 1 367.449 3.190 20 30 FGEDMO N#Cc1cccc(C[NH+]2CCC(NCc3nccn3-c3ccccc3)CC2)c1 ZINC000593693440 506734304 /nfs/dbraw/zinc/73/43/04/506734304.db2.gz ZNCDYQWYBDHIGB-UHFFFAOYSA-N 1 1 371.488 3.498 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH+]1CCC(C)(C)CC1 ZINC000608886239 506737908 /nfs/dbraw/zinc/73/79/08/506737908.db2.gz UMTAFTCVJVGXNX-UHFFFAOYSA-N 1 1 360.502 3.074 20 30 FGEDMO C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604188190 506743364 /nfs/dbraw/zinc/74/33/64/506743364.db2.gz ZWUKACFTOWJDCW-SFHVURJKSA-N 1 1 369.509 3.440 20 30 FGEDMO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000600076508 506766891 /nfs/dbraw/zinc/76/68/91/506766891.db2.gz NBXUVRXAHGQRLA-UHFFFAOYSA-N 1 1 367.424 3.468 20 30 FGEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000604323581 506787249 /nfs/dbraw/zinc/78/72/49/506787249.db2.gz DLJKWCLTSLJYKU-SFHVURJKSA-N 1 1 363.465 3.003 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CCCCC1 ZINC000609194664 506810370 /nfs/dbraw/zinc/81/03/70/506810370.db2.gz BHWXQVQKUVNBEX-UHFFFAOYSA-N 1 1 361.436 3.487 20 30 FGEDMO N#Cc1sccc1N1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000597183192 506820904 /nfs/dbraw/zinc/82/09/04/506820904.db2.gz JTYKJWUIRGNATR-UHFFFAOYSA-N 1 1 355.492 3.189 20 30 FGEDMO CN(C(=O)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000609233697 506821498 /nfs/dbraw/zinc/82/14/98/506821498.db2.gz GUDMQKZRRWOYLF-LJQANCHMSA-N 1 1 355.482 3.135 20 30 FGEDMO CN(C(=O)C[N@H+]1CCCO[C@@H](c2ccccc2)C1)C1(C#N)CCCCC1 ZINC000609233697 506821512 /nfs/dbraw/zinc/82/15/12/506821512.db2.gz GUDMQKZRRWOYLF-LJQANCHMSA-N 1 1 355.482 3.135 20 30 FGEDMO C=CCCCS(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000583541126 506836438 /nfs/dbraw/zinc/83/64/38/506836438.db2.gz RVNCFNFZRCGRKI-KRWDZBQOSA-N 1 1 356.919 3.363 20 30 FGEDMO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600194932 506836812 /nfs/dbraw/zinc/83/68/12/506836812.db2.gz GCXSOJFRDQZSQY-YOEHRIQHSA-N 1 1 354.454 3.006 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600194932 506836814 /nfs/dbraw/zinc/83/68/14/506836814.db2.gz GCXSOJFRDQZSQY-YOEHRIQHSA-N 1 1 354.454 3.006 20 30 FGEDMO COC1(c2noc(CC3CC[NH+](Cc4ccc(C#N)o4)CC3)n2)CCCC1 ZINC000597250918 506860150 /nfs/dbraw/zinc/86/01/50/506860150.db2.gz JPMCJOWSCVRDHD-UHFFFAOYSA-N 1 1 370.453 3.405 20 30 FGEDMO CC1(C)C[N@H+](C2(CNC(=O)c3cccc(CC#N)c3)CCCCC2)CCO1 ZINC000609409101 506875578 /nfs/dbraw/zinc/87/55/78/506875578.db2.gz VYVAKSDZFPANGV-UHFFFAOYSA-N 1 1 369.509 3.296 20 30 FGEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](OC4CCC4)C3)C2=O)cc1 ZINC000594027579 506893339 /nfs/dbraw/zinc/89/33/39/506893339.db2.gz WOVYCMORMALKMP-UXHICEINSA-N 1 1 353.466 3.087 20 30 FGEDMO Cc1cc(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc(N2CCCC2)[nH+]1 ZINC000594029145 506894720 /nfs/dbraw/zinc/89/47/20/506894720.db2.gz ACPRVRACBIOADB-INIZCTEOSA-N 1 1 362.477 3.357 20 30 FGEDMO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594070433 506921591 /nfs/dbraw/zinc/92/15/91/506921591.db2.gz ZDVTVCPSLPSEAK-FUHWJXTLSA-N 1 1 356.470 3.484 20 30 FGEDMO N#C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc(Cl)cc1 ZINC000609589604 506933671 /nfs/dbraw/zinc/93/36/71/506933671.db2.gz SSIBJYWKNHGQJD-PKOBYXMFSA-N 1 1 368.868 3.328 20 30 FGEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)CC#N ZINC000597416562 506941329 /nfs/dbraw/zinc/94/13/29/506941329.db2.gz SLNQYWIJUSHRLX-CRAIPNDOSA-N 1 1 351.454 3.127 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000609744637 506987682 /nfs/dbraw/zinc/98/76/82/506987682.db2.gz NVSCWTYBMWRJBZ-HXUWFJFHSA-N 1 1 354.425 3.144 20 30 FGEDMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800885 507007537 /nfs/dbraw/zinc/00/75/37/507007537.db2.gz USMBOXCJRXYGHK-QUCCMNQESA-N 1 1 354.475 3.088 20 30 FGEDMO C[N@@H+](CCNC(=O)NC1(c2ccc(C#N)cc2)CCC1)Cc1ccccc1 ZINC000594215263 507015958 /nfs/dbraw/zinc/01/59/58/507015958.db2.gz CYQKOMHATQXQAI-UHFFFAOYSA-N 1 1 362.477 3.369 20 30 FGEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000594220174 507020399 /nfs/dbraw/zinc/02/03/99/507020399.db2.gz BWTCJGZSDQEOEV-GOSISDBHSA-N 1 1 354.498 3.357 20 30 FGEDMO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncc1C#N ZINC000590909879 507025236 /nfs/dbraw/zinc/02/52/36/507025236.db2.gz NRVQGHGJTZQOCE-HMXCVIKNSA-N 1 1 374.488 3.292 20 30 FGEDMO Cc1cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cn2cc[nH+]c12 ZINC000583890842 507033933 /nfs/dbraw/zinc/03/39/33/507033933.db2.gz QAFGGTPMXXJGRT-HNNXBMFYSA-N 1 1 363.396 3.119 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594238867 507035350 /nfs/dbraw/zinc/03/53/50/507035350.db2.gz JRBYTGCHHGPLMF-HRAATJIYSA-N 1 1 360.461 3.104 20 30 FGEDMO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000590936477 507044494 /nfs/dbraw/zinc/04/44/94/507044494.db2.gz QNBILWONIMZBCX-XUVXKRRUSA-N 1 1 368.525 3.478 20 30 FGEDMO C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000594259432 507047411 /nfs/dbraw/zinc/04/74/11/507047411.db2.gz ZVIRIHQDTJMMCX-KRWDZBQOSA-N 1 1 367.518 3.185 20 30 FGEDMO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594281006 507060434 /nfs/dbraw/zinc/06/04/34/507060434.db2.gz AIKQVVXDMPBNLQ-UXHICEINSA-N 1 1 352.482 3.273 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000594356396 507090746 /nfs/dbraw/zinc/09/07/46/507090746.db2.gz PWUIDCLWKBGFLB-XMSQKQJNSA-N 1 1 361.489 3.122 20 30 FGEDMO C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000594356396 507090753 /nfs/dbraw/zinc/09/07/53/507090753.db2.gz PWUIDCLWKBGFLB-XMSQKQJNSA-N 1 1 361.489 3.122 20 30 FGEDMO C[N@@H+]1CCc2[nH]c3ccc(C(=O)N4CCc5cc(C#N)ccc54)cc3c2C1 ZINC000597770992 507093481 /nfs/dbraw/zinc/09/34/81/507093481.db2.gz ANGAVKAIUPMZRH-UHFFFAOYSA-N 1 1 356.429 3.230 20 30 FGEDMO C[N@H+]1CCc2[nH]c3ccc(C(=O)N4CCc5cc(C#N)ccc54)cc3c2C1 ZINC000597770992 507093485 /nfs/dbraw/zinc/09/34/85/507093485.db2.gz ANGAVKAIUPMZRH-UHFFFAOYSA-N 1 1 356.429 3.230 20 30 FGEDMO N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000597773722 507095072 /nfs/dbraw/zinc/09/50/72/507095072.db2.gz UOSHZTADLYLBPQ-NRFANRHFSA-N 1 1 359.473 3.402 20 30 FGEDMO C=CCn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000584021970 507106100 /nfs/dbraw/zinc/10/61/00/507106100.db2.gz RNJRSDRTQCFZBC-AEFFLSMTSA-N 1 1 369.513 3.306 20 30 FGEDMO C[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000591183451 507146049 /nfs/dbraw/zinc/14/60/49/507146049.db2.gz 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N#CC[C@]1(O)CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000592523525 507693198 /nfs/dbraw/zinc/69/31/98/507693198.db2.gz NVLQIYQIKMXOBY-QHCPKHFHSA-N 1 1 372.472 3.449 20 30 FGEDMO C[C@]1(C#N)CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595831291 507705844 /nfs/dbraw/zinc/70/58/44/507705844.db2.gz NFSBRNGODZSYSE-PZJWPPBQSA-N 1 1 366.509 3.234 20 30 FGEDMO C[C@@]1(C#N)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000595835909 507708619 /nfs/dbraw/zinc/70/86/19/507708619.db2.gz VFSQWDAFGZBPCA-IBGZPJMESA-N 1 1 356.495 3.453 20 30 FGEDMO C[C@@]1(C#N)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000595835909 507708624 /nfs/dbraw/zinc/70/86/24/507708624.db2.gz VFSQWDAFGZBPCA-IBGZPJMESA-N 1 1 356.495 3.453 20 30 FGEDMO COc1cc(OC)c2ncc(C#N)c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000587309621 507708658 /nfs/dbraw/zinc/70/86/58/507708658.db2.gz HSWDNBZSDAQHIW-GJZGRUSLSA-N 1 1 352.438 3.162 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@](C)(C#N)C3)sc2C1 ZINC000595840484 507710135 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374.847 3.198 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)Nc2cncc(C)c2)[C@@H]1c1cnn(C)c1 ZINC000328615543 521614187 /nfs/dbraw/zinc/61/41/87/521614187.db2.gz AWJWRCVKLYCGSI-QFBILLFUSA-N 1 1 370.501 3.074 20 30 FGEDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)Nc2cnccc2C)[C@@H]1c1cnn(C)c1 ZINC000328623419 521614706 /nfs/dbraw/zinc/61/47/06/521614706.db2.gz JCXDLORYAJZKKI-QFBILLFUSA-N 1 1 370.501 3.074 20 30 FGEDMO C=CCN(Cc1ccccc1)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1CC ZINC000669133169 568127193 /nfs/dbraw/zinc/12/71/93/568127193.db2.gz VBAFJFAJBIEJDS-MOPGFXCFSA-N 1 1 367.497 3.026 20 30 FGEDMO Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738771013 600595048 /nfs/dbraw/zinc/59/50/48/600595048.db2.gz LJBMKVOQGGOKRP-NRFANRHFSA-N 1 1 363.461 3.247 20 30 FGEDMO CC[N@@H+](Cc1ccc(OC)c(-c2nn[nH]n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825435046 607488032 /nfs/dbraw/zinc/48/80/32/607488032.db2.gz KAAURZIUURBBHZ-AWEZNQCLSA-N 1 1 362.437 3.330 20 30 FGEDMO N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000833073431 601318320 /nfs/dbraw/zinc/31/83/20/601318320.db2.gz BMMPQEMUVAVODH-ICSRJNTNSA-N 1 1 355.482 3.272 20 30 FGEDMO N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000833073431 601318322 /nfs/dbraw/zinc/31/83/22/601318322.db2.gz BMMPQEMUVAVODH-ICSRJNTNSA-N 1 1 355.482 3.272 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000822801691 607070414 /nfs/dbraw/zinc/07/04/14/607070414.db2.gz MOISLSCYCAGOGH-MOPGFXCFSA-N 1 1 362.412 3.278 20 30 FGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000822801691 607070416 /nfs/dbraw/zinc/07/04/16/607070416.db2.gz MOISLSCYCAGOGH-MOPGFXCFSA-N 1 1 362.412 3.278 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000822801692 607070800 /nfs/dbraw/zinc/07/08/00/607070800.db2.gz MOISLSCYCAGOGH-OALUTQOASA-N 1 1 362.412 3.278 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000822801692 607070802 /nfs/dbraw/zinc/07/08/02/607070802.db2.gz MOISLSCYCAGOGH-OALUTQOASA-N 1 1 362.412 3.278 20 30 FGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)c1ccc(Cl)cc1 ZINC000823914764 608257587 /nfs/dbraw/zinc/25/75/87/608257587.db2.gz MWSHLBWHQJNHPA-SFHVURJKSA-N 1 1 369.856 3.242 20 30 FGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000826384993 608466421 /nfs/dbraw/zinc/46/64/21/608466421.db2.gz SLHHLCNMIKTHAR-UHFFFAOYSA-N 1 1 360.396 3.167 20 30 FGEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2 ZINC000823878111 609371186 /nfs/dbraw/zinc/37/11/86/609371186.db2.gz PBUSAPUNKFIRAU-UHFFFAOYSA-N 1 1 374.514 3.034 20 30 FGEDMO C=C(Br)C[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862306 700219947 /nfs/dbraw/zinc/21/99/47/700219947.db2.gz JCQQZPSSKFGGDO-NSHDSACASA-N 1 1 357.214 3.018 20 30 FGEDMO C=C(Br)C[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862306 700219948 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N#Cc1ccc([C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000126656335 700751213 /nfs/dbraw/zinc/75/12/13/700751213.db2.gz VTZVOZOXHZSWLU-FQEVSTJZSA-N 1 1 355.869 3.063 20 30 FGEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000176827573 705593097 /nfs/dbraw/zinc/59/30/97/705593097.db2.gz URDWFVNZDQNFCD-ROUUACIJSA-N 1 1 353.495 3.443 20 30 FGEDMO N#Cc1cc(Br)cnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000309871680 713797191 /nfs/dbraw/zinc/79/71/91/713797191.db2.gz GVPPGLAEJGRXIQ-UHFFFAOYSA-N 1 1 357.255 3.038 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374198893 713904840 /nfs/dbraw/zinc/90/48/40/713904840.db2.gz UWSLBRXQXQVANK-LBPRGKRZSA-N 1 1 357.845 3.141 20 30 FGEDMO Cc1cnc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)s1 ZINC000374233905 713906943 /nfs/dbraw/zinc/90/69/43/713906943.db2.gz CNWWWUVGXZWMET-HOTGVXAUSA-N 1 1 360.527 3.362 20 30 FGEDMO Cc1cnc([C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)s1 ZINC000374233905 713906945 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N#Cc1ccc(Br)c(C[N@H+](CCO)CCc2ccccc2)c1 ZINC000617201109 714636256 /nfs/dbraw/zinc/63/62/56/714636256.db2.gz LUBSQROWIFROIN-UHFFFAOYSA-N 1 1 359.267 3.358 20 30 FGEDMO N#Cc1ccc(Br)c(C[N@@H+](CCO)CCc2ccccc2)c1 ZINC000617201109 714636260 /nfs/dbraw/zinc/63/62/60/714636260.db2.gz LUBSQROWIFROIN-UHFFFAOYSA-N 1 1 359.267 3.358 20 30 FGEDMO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1Br)C(=O)N1CCCC1 ZINC000617217491 714636760 /nfs/dbraw/zinc/63/67/60/714636760.db2.gz VORUGOJWXICFOD-INIZCTEOSA-N 1 1 364.287 3.057 20 30 FGEDMO N#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000619154445 714806314 /nfs/dbraw/zinc/80/63/14/714806314.db2.gz BEROUIIYTDRWKR-INIZCTEOSA-N 1 1 351.372 3.076 20 30 FGEDMO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000802652472 724397521 /nfs/dbraw/zinc/39/75/21/724397521.db2.gz GRVIYVODOFBYNR-OAHLLOKOSA-N 1 1 357.479 3.177 20 30 FGEDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000802652472 724397522 /nfs/dbraw/zinc/39/75/22/724397522.db2.gz GRVIYVODOFBYNR-OAHLLOKOSA-N 1 1 357.479 3.177 20 30 FGEDMO C#Cc1cccc(NC(=S)NN=C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000779772312 724426102 /nfs/dbraw/zinc/42/61/02/724426102.db2.gz GCUKQFNNGFZDJB-UHFFFAOYSA-N 1 1 368.428 3.359 20 30 FGEDMO C#C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000804950066 724568479 /nfs/dbraw/zinc/56/84/79/724568479.db2.gz MJRLSSPDSZTRRN-CXAGYDPISA-N 1 1 351.853 3.185 20 30 FGEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001164638060 719205244 /nfs/dbraw/zinc/20/52/44/719205244.db2.gz MYNLADMPOFZHKA-RYUDHWBXSA-N 1 1 359.836 3.337 20 30 FGEDMO CSc1nc(-c2ccccc2)nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1C#N ZINC001164637202 719214950 /nfs/dbraw/zinc/21/49/50/719214950.db2.gz LQQWFJBVHMNBNR-ZIAGYGMSSA-N 1 1 353.495 3.266 20 30 FGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cnc(Cl)nc1Oc1ccc(C#N)cc1 ZINC001164632653 719254312 /nfs/dbraw/zinc/25/43/12/719254312.db2.gz JNAPOSBYGKIMKF-CHWSQXEVSA-N 1 1 357.845 3.323 20 30 FGEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(NS(C)(=O)=O)c1 ZINC000781913906 724611622 /nfs/dbraw/zinc/61/16/22/724611622.db2.gz RQAPRPAHPZXSTO-LBPRGKRZSA-N 1 1 363.870 3.434 20 30 FGEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(C)C)ccc1C#N)C2 ZINC001164806356 720079922 /nfs/dbraw/zinc/07/99/22/720079922.db2.gz BPAKAAYMCYAMSX-UGKGYDQZSA-N 1 1 368.525 3.261 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000662085626 720373334 /nfs/dbraw/zinc/37/33/34/720373334.db2.gz IHLZAJLXSFDZIN-BETUJISGSA-N 1 1 350.846 3.479 20 30 FGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000662085626 720373340 /nfs/dbraw/zinc/37/33/40/720373340.db2.gz IHLZAJLXSFDZIN-BETUJISGSA-N 1 1 350.846 3.479 20 30 FGEDMO C=CCOc1c(Br)cc(CN[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000666855480 720991128 /nfs/dbraw/zinc/99/11/28/720991128.db2.gz UVYIMVMGHRTWBW-CQSZACIVSA-N 1 1 369.303 3.254 20 30 FGEDMO C=CCOc1c(Br)cc(C[N@@H+](C)CC2CN(C)C2)cc1OC ZINC000668537694 721306147 /nfs/dbraw/zinc/30/61/47/721306147.db2.gz LISVOKUVXFEGQB-UHFFFAOYSA-N 1 1 369.303 3.016 20 30 FGEDMO C=CCOc1c(Br)cc(CN(C)CC2C[NH+](C)C2)cc1OC ZINC000668537694 721306152 /nfs/dbraw/zinc/30/61/52/721306152.db2.gz LISVOKUVXFEGQB-UHFFFAOYSA-N 1 1 369.303 3.016 20 30 FGEDMO N#Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164901776 721514526 /nfs/dbraw/zinc/51/45/26/721514526.db2.gz YPHJEVDXTRSUMR-NVXWUHKLSA-N 1 1 372.831 3.088 20 30 FGEDMO CC[C@H](C)[N@H+](CC#CCOC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000677818032 721917733 /nfs/dbraw/zinc/91/77/33/721917733.db2.gz YAYCXTWXAKHPFK-AWEZNQCLSA-N 1 1 356.388 3.394 20 30 FGEDMO CC[C@H](C)[N@@H+](CC#CCOC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000677818032 721917734 /nfs/dbraw/zinc/91/77/34/721917734.db2.gz YAYCXTWXAKHPFK-AWEZNQCLSA-N 1 1 356.388 3.394 20 30 FGEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165043298 721926416 /nfs/dbraw/zinc/92/64/16/721926416.db2.gz IJYMBMHSTSJZQS-CQSZACIVSA-N 1 1 374.847 3.200 20 30 FGEDMO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000679828311 722049121 /nfs/dbraw/zinc/04/91/21/722049121.db2.gz XOVXKFXFIWFWEX-KRWDZBQOSA-N 1 1 360.454 3.366 20 30 FGEDMO C=CCNC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680433361 722117904 /nfs/dbraw/zinc/11/79/04/722117904.db2.gz SJZIUXWBJCWSSX-LBPRGKRZSA-N 1 1 365.193 3.334 20 30 FGEDMO C=CC1CC[NH+](CN2C(=O)N[C@@](C)(c3ccc(F)cc3Cl)C2=O)CC1 ZINC000732180912 722481898 /nfs/dbraw/zinc/48/18/98/722481898.db2.gz HLRCQQKXAVKPJN-SFHVURJKSA-N 1 1 365.836 3.102 20 30 FGEDMO C#CCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000732981563 722491105 /nfs/dbraw/zinc/49/11/05/722491105.db2.gz CDQGOQYGJGPJLH-UHFFFAOYSA-N 1 1 369.690 3.064 20 30 FGEDMO C#CC[N@@H+](CCn1cccn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195470 722493684 /nfs/dbraw/zinc/49/36/84/722493684.db2.gz OHMORLLSUDCWTM-MRXNPFEDSA-N 1 1 360.255 3.105 20 30 FGEDMO C#CC[N@H+](CCn1cccn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195470 722493685 /nfs/dbraw/zinc/49/36/85/722493685.db2.gz OHMORLLSUDCWTM-MRXNPFEDSA-N 1 1 360.255 3.105 20 30 FGEDMO C#CCCNC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000733356381 722496239 /nfs/dbraw/zinc/49/62/39/722496239.db2.gz KHIRESUCQJVJRY-SFHVURJKSA-N 1 1 353.491 3.170 20 30 FGEDMO C#CCCNC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000733356381 722496240 /nfs/dbraw/zinc/49/62/40/722496240.db2.gz KHIRESUCQJVJRY-SFHVURJKSA-N 1 1 353.491 3.170 20 30 FGEDMO C#CCN(C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)C1CCCCC1 ZINC000744845245 722580837 /nfs/dbraw/zinc/58/08/37/722580837.db2.gz TULMDDWRDVTKOA-MRXNPFEDSA-N 1 1 359.539 3.472 20 30 FGEDMO C#CCN(C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)C1CCCCC1 ZINC000744845245 722580838 /nfs/dbraw/zinc/58/08/38/722580838.db2.gz TULMDDWRDVTKOA-MRXNPFEDSA-N 1 1 359.539 3.472 20 30 FGEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000748832838 722706238 /nfs/dbraw/zinc/70/62/38/722706238.db2.gz OJRNJRDBAXZSRY-QGZVFWFLSA-N 1 1 350.846 3.012 20 30 FGEDMO C=CC[N@@H+](CCCN1CCOC1=O)Cc1cc(Br)ccc1F ZINC000749249575 722721767 /nfs/dbraw/zinc/72/17/67/722721767.db2.gz DEOXLQOHXCWLPT-UHFFFAOYSA-N 1 1 371.250 3.419 20 30 FGEDMO C=CC[N@H+](CCCN1CCOC1=O)Cc1cc(Br)ccc1F ZINC000749249575 722721768 /nfs/dbraw/zinc/72/17/68/722721768.db2.gz DEOXLQOHXCWLPT-UHFFFAOYSA-N 1 1 371.250 3.419 20 30 FGEDMO Brc1ccc2[nH]cc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)c2c1 ZINC000753934731 722918904 /nfs/dbraw/zinc/91/89/04/722918904.db2.gz JXMXKVFESRDFJA-HUUCEWRRSA-N 1 1 360.259 3.124 20 30 FGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000754127467 722929509 /nfs/dbraw/zinc/92/95/09/722929509.db2.gz XTFPDRPIEDLHNC-AEFFLSMTSA-N 1 1 360.885 3.055 20 30 FGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000754127467 722929511 /nfs/dbraw/zinc/92/95/11/722929511.db2.gz XTFPDRPIEDLHNC-AEFFLSMTSA-N 1 1 360.885 3.055 20 30 FGEDMO Cc1sc([C@H](C)[NH2+]CC(=O)NCCC#N)nc1-c1ccc(Cl)cc1 ZINC000754952477 722948196 /nfs/dbraw/zinc/94/81/96/722948196.db2.gz RXSGPLXHJCYVEK-NSHDSACASA-N 1 1 362.886 3.452 20 30 FGEDMO N#Cc1cccn(C[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)c1=O ZINC000758195869 722985989 /nfs/dbraw/zinc/98/59/89/722985989.db2.gz XCKVAOWDIUVPAL-KRWDZBQOSA-N 1 1 372.266 3.147 20 30 FGEDMO C#CCNC(=S)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000758234268 722986733 /nfs/dbraw/zinc/98/67/33/722986733.db2.gz LMPSWWYVVARAMH-UHFFFAOYSA-N 1 1 356.322 3.055 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1O ZINC000762511319 723249842 /nfs/dbraw/zinc/24/98/42/723249842.db2.gz YOBAWIVIBNGSDX-ZDUSSCGKSA-N 1 1 358.404 3.198 20 30 FGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)c1O ZINC000762511319 723249845 /nfs/dbraw/zinc/24/98/45/723249845.db2.gz YOBAWIVIBNGSDX-ZDUSSCGKSA-N 1 1 358.404 3.198 20 30 FGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@H+](CCCCC(C)(C)C#N)CCO1 ZINC000769733913 723693491 /nfs/dbraw/zinc/69/34/91/723693491.db2.gz QYZJUBNHQKXFJY-HZPDHXFCSA-N 1 1 353.507 3.320 20 30 FGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000769733913 723693492 /nfs/dbraw/zinc/69/34/92/723693492.db2.gz QYZJUBNHQKXFJY-HZPDHXFCSA-N 1 1 353.507 3.320 20 30 FGEDMO CCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000771772457 723742083 /nfs/dbraw/zinc/74/20/83/723742083.db2.gz QMIAEKMPSRXEKK-IBGZPJMESA-N 1 1 352.567 3.157 20 30 FGEDMO CCCCCCCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771772457 723742085 /nfs/dbraw/zinc/74/20/85/723742085.db2.gz QMIAEKMPSRXEKK-IBGZPJMESA-N 1 1 352.567 3.157 20 30 FGEDMO C#Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)nc1 ZINC000786221055 724968144 /nfs/dbraw/zinc/96/81/44/724968144.db2.gz GLFXGZGYOQAIDK-UHFFFAOYSA-N 1 1 358.239 3.139 20 30 FGEDMO C#CCn1ccc(C[N@@H+](CC)CCCc2nc(-c3cccs3)no2)n1 ZINC000789330525 725122633 /nfs/dbraw/zinc/12/26/33/725122633.db2.gz UAORVCJIQRYPOB-UHFFFAOYSA-N 1 1 355.467 3.083 20 30 FGEDMO COC(=O)c1ccc(C[NH2+]Cc2cc(C#N)cs2)c(Br)c1 ZINC000809753417 725265081 /nfs/dbraw/zinc/26/50/81/725265081.db2.gz IKFFSFTWWLFCAW-UHFFFAOYSA-N 1 1 365.252 3.459 20 30 FGEDMO C=CCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000809903011 725275224 /nfs/dbraw/zinc/27/52/24/725275224.db2.gz WNNKBQMFLZOGSJ-KBPBESRZSA-N 1 1 360.893 3.098 20 30 FGEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)C1 ZINC000810555967 725314627 /nfs/dbraw/zinc/31/46/27/725314627.db2.gz VENNPGMBPMKTPL-KXBFYZLASA-N 1 1 350.409 3.264 20 30 FGEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000818603185 727316344 /nfs/dbraw/zinc/31/63/44/727316344.db2.gz SMUWIVZRMCLFGM-UHFFFAOYSA-N 1 1 356.491 3.417 20 30 FGEDMO C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000820738401 729023526 /nfs/dbraw/zinc/02/35/26/729023526.db2.gz YDRAGQANFZCGAS-QEORTHHSSA-N 1 1 351.853 3.278 20 30 FGEDMO C#C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1F ZINC000820738396 729023738 /nfs/dbraw/zinc/02/37/38/729023738.db2.gz YDRAGQANFZCGAS-IFIJOSMWSA-N 1 1 351.853 3.278 20 30 FGEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C#Cc1cccs1 ZINC000826689331 729412495 /nfs/dbraw/zinc/41/24/95/729412495.db2.gz LCHXBOCRGJRDFB-IBGZPJMESA-N 1 1 352.503 3.470 20 30 FGEDMO CCOCOc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000826894237 729418273 /nfs/dbraw/zinc/41/82/73/729418273.db2.gz LZPRKMIJQRDWJP-UHFFFAOYSA-N 1 1 357.479 3.315 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831576356 729652632 /nfs/dbraw/zinc/65/26/32/729652632.db2.gz FDPFFTKPAPYJKK-GXTWGEPZSA-N 1 1 371.790 3.054 20 30 FGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831576356 729652634 /nfs/dbraw/zinc/65/26/34/729652634.db2.gz FDPFFTKPAPYJKK-GXTWGEPZSA-N 1 1 371.790 3.054 20 30 FGEDMO C#C[C@@H](NC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(Br)cc1 ZINC000833231619 729744064 /nfs/dbraw/zinc/74/40/64/729744064.db2.gz XZCCPLAQMHOHLR-OAHLLOKOSA-N 1 1 372.266 3.015 20 30 FGEDMO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000837420453 730027884 /nfs/dbraw/zinc/02/78/84/730027884.db2.gz RLFGTBAWDCTBQJ-MRXNPFEDSA-N 1 1 352.400 3.445 20 30 FGEDMO C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368884 730708596 /nfs/dbraw/zinc/70/85/96/730708596.db2.gz TWRVKTNVUOMCBI-IUODEOHRSA-N 1 1 354.435 3.396 20 30 FGEDMO C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368884 730708597 /nfs/dbraw/zinc/70/85/97/730708597.db2.gz TWRVKTNVUOMCBI-IUODEOHRSA-N 1 1 354.435 3.396 20 30 FGEDMO CC#CCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 ZINC000844462432 730721942 /nfs/dbraw/zinc/72/19/42/730721942.db2.gz XKBNBKCIXXFOTI-KZNAEPCWSA-N 1 1 350.503 3.327 20 30 FGEDMO C[N@@H+]1CCN(C(=S)Nc2ccccc2C#N)[C@@H](Cc2ccccc2)C1 ZINC000844590384 730739233 /nfs/dbraw/zinc/73/92/33/730739233.db2.gz UWJPRGLLBRHHPL-SFHVURJKSA-N 1 1 350.491 3.114 20 30 FGEDMO C[N@H+]1CCN(C(=S)Nc2ccccc2C#N)[C@@H](Cc2ccccc2)C1 ZINC000844590384 730739239 /nfs/dbraw/zinc/73/92/39/730739239.db2.gz UWJPRGLLBRHHPL-SFHVURJKSA-N 1 1 350.491 3.114 20 30 FGEDMO C=C(C)CONC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000845597964 730870040 /nfs/dbraw/zinc/87/00/40/730870040.db2.gz UVFYSSYPDMKHEJ-OAHLLOKOSA-N 1 1 357.376 3.087 20 30 FGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C#Cc3ccccc3)C2)s1 ZINC000846102961 730929035 /nfs/dbraw/zinc/92/90/35/730929035.db2.gz WXFOJHADGYMAPF-IBGZPJMESA-N 1 1 352.503 3.389 20 30 FGEDMO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000846922935 730995230 /nfs/dbraw/zinc/99/52/30/730995230.db2.gz JVBZECNDLKKJDQ-FOIQADDNSA-N 1 1 355.869 3.456 20 30 FGEDMO O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848351491 731158310 /nfs/dbraw/zinc/15/83/10/731158310.db2.gz DOTIDZAGFYLWBT-IAGOWNOFSA-N 1 1 350.384 3.190 20 30 FGEDMO COCCOc1ccc(Cl)cc1-c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848626189 731189098 /nfs/dbraw/zinc/18/90/98/731189098.db2.gz PMWVPLIXEDHAOR-CQSZACIVSA-N 1 1 364.833 3.499 20 30 FGEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2ncc(Cl)cn2)c1C ZINC000857223612 732113385 /nfs/dbraw/zinc/11/33/85/732113385.db2.gz WBEBDMGSXUARFT-KRWDZBQOSA-N 1 1 360.893 3.479 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354.841 3.453 20 30 FGEDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cc(C#N)ccn1 ZINC000902891261 743784900 /nfs/dbraw/zinc/78/49/00/743784900.db2.gz RKGWADYCEIZZDK-BDJLRTHQSA-N 1 1 358.804 3.202 20 30 FGEDMO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC=CC[C@H]2C(F)(F)F)C(C)(C)C1 ZINC000940839580 762165569 /nfs/dbraw/zinc/16/55/69/762165569.db2.gz NWODDQGNPRHAEO-OAGGEKHMSA-N 1 1 356.432 3.371 20 30 FGEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C(C)(C)C1 ZINC000940971994 762169313 /nfs/dbraw/zinc/16/93/13/762169313.db2.gz HGMLDVBKJRPWOH-NFAWXSAZSA-N 1 1 350.915 3.355 20 30 FGEDMO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)CC1(C)C ZINC000941087244 762175068 /nfs/dbraw/zinc/17/50/68/762175068.db2.gz ISMLXSUMNBYIDO-OIUJIRMHSA-N 1 1 354.922 3.327 20 30 FGEDMO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC[C@@H]2C1 ZINC000946591347 762257454 /nfs/dbraw/zinc/25/74/54/762257454.db2.gz UDUUNRDTPPFJSG-FCGDIQPGSA-N 1 1 356.535 3.354 20 30 FGEDMO C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)O1 ZINC000948792991 762347952 /nfs/dbraw/zinc/34/79/52/762347952.db2.gz ILJBXYHINASEDK-RVKKMQEKSA-N 1 1 361.511 3.000 20 30 FGEDMO COC[C@@H](C)NC(=S)N[NH+]=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000916282161 758063122 /nfs/dbraw/zinc/06/31/22/758063122.db2.gz ZYNISFIVPWPSKO-OAHLLOKOSA-N 1 1 362.543 3.290 20 30 FGEDMO CCCCCCC[C@@H](C)CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000918135667 758305756 /nfs/dbraw/zinc/30/57/56/758305756.db2.gz IBZBWAVDDRRHPZ-MOPGFXCFSA-N 1 1 353.551 3.489 20 30 FGEDMO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2c(Cl)c(C)nn2C)ccc1OC ZINC000921738773 758782229 /nfs/dbraw/zinc/78/22/29/758782229.db2.gz UIUMZIHUNPGVGO-CQSZACIVSA-N 1 1 362.861 3.361 20 30 FGEDMO CS(=O)(=O)c1cc(C[NH2+]Cc2csc(C#N)c2)cc(C(F)(F)F)c1 ZINC000922111640 758851381 /nfs/dbraw/zinc/85/13/81/758851381.db2.gz ACGYVDGSTNJFKO-UHFFFAOYSA-N 1 1 374.409 3.332 20 30 FGEDMO N#Cc1ccc(Br)c(C[NH2+][C@H]2c3ccccc3CC[C@H]2O)c1 ZINC000922987570 759045944 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N#Cc1ccc(-c2nnc(C[N@@H+](CCc3ccccc3)[C@H]3CCOC3)o2)cc1 ZINC000177139853 495944186 /nfs/dbraw/zinc/94/41/86/495944186.db2.gz ORIORLYIBPVYHN-FQEVSTJZSA-N 1 1 374.444 3.442 20 30 FGEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)c1ccccc1 ZINC000151839393 495965608 /nfs/dbraw/zinc/96/56/08/495965608.db2.gz PDUCRARWNJXQQQ-MOPGFXCFSA-N 1 1 367.449 3.114 20 30 FGEDMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1)c1ccccc1 ZINC000151839393 495965612 /nfs/dbraw/zinc/96/56/12/495965612.db2.gz PDUCRARWNJXQQQ-MOPGFXCFSA-N 1 1 367.449 3.114 20 30 FGEDMO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000183448235 495987540 /nfs/dbraw/zinc/98/75/40/495987540.db2.gz ZMIFXVANSVEJDV-UHFFFAOYSA-N 1 1 364.449 3.214 20 30 FGEDMO N#CCN1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000171700951 495994608 /nfs/dbraw/zinc/99/46/08/495994608.db2.gz GGFCWJDDTQLYKF-UHFFFAOYSA-N 1 1 357.461 3.180 20 30 FGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000186445374 496000463 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CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180554602 496042642 /nfs/dbraw/zinc/04/26/42/496042642.db2.gz GUQWKNWHESQQHB-HOCLYGCPSA-N 1 1 359.367 3.463 20 30 FGEDMO C[N@@H+](CC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)[C@@H]1CCSC1 ZINC000155741035 496053771 /nfs/dbraw/zinc/05/37/71/496053771.db2.gz LJYCCWVRWZMDIO-MFKMUULPSA-N 1 1 358.294 3.112 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000180586271 496055428 /nfs/dbraw/zinc/05/54/28/496055428.db2.gz QUSVSHFLNFGSDT-XYBNCVKDSA-N 1 1 353.857 3.226 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C/c1ccc(Cl)cc1 ZINC000180586271 496055436 /nfs/dbraw/zinc/05/54/36/496055436.db2.gz QUSVSHFLNFGSDT-XYBNCVKDSA-N 1 1 353.857 3.226 20 30 FGEDMO COc1cccc([C@H](C)[NH+]2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)c1 ZINC000183806116 496122704 /nfs/dbraw/zinc/12/27/04/496122704.db2.gz UXFPSPSJGVTYJP-HNNXBMFYSA-N 1 1 366.421 3.358 20 30 FGEDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000184076866 496228238 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C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC1(O)CCCCCC1 ZINC000187363214 496411277 /nfs/dbraw/zinc/41/12/77/496411277.db2.gz MLJXHJPGBBPIEO-GOSISDBHSA-N 1 1 357.498 3.339 20 30 FGEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)cn1 ZINC000181509105 496424985 /nfs/dbraw/zinc/42/49/85/496424985.db2.gz UWYZJTVMNZNLGX-UHFFFAOYSA-N 1 1 357.417 3.061 20 30 FGEDMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187460751 496451125 /nfs/dbraw/zinc/45/11/25/496451125.db2.gz DUVYMVOUTOTPQV-SFGWALBWSA-N 1 1 361.493 3.369 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000187492243 496463944 /nfs/dbraw/zinc/46/39/44/496463944.db2.gz RKGAQZSPXIXPNQ-NRFANRHFSA-N 1 1 362.477 3.268 20 30 FGEDMO CCOc1cc(C#N)cc(Cl)c1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000153567060 496500284 /nfs/dbraw/zinc/50/02/84/496500284.db2.gz HFCCXZBZXKLQQH-KRWDZBQOSA-N 1 1 374.868 3.482 20 30 FGEDMO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000157621432 496517194 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CC(C)[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nc(-c2nc[nH]n2)no1 ZINC000184867699 496565509 /nfs/dbraw/zinc/56/55/09/496565509.db2.gz MRWYITGHEPYJRP-HNNXBMFYSA-N 1 1 365.441 3.143 20 30 FGEDMO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000184875636 496567563 /nfs/dbraw/zinc/56/75/63/496567563.db2.gz ZCNCOROMHOHPRY-MAUKXSAKSA-N 1 1 363.417 3.304 20 30 FGEDMO C=CCN(C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000153814900 496589263 /nfs/dbraw/zinc/58/92/63/496589263.db2.gz YELIVJRAYRZWFG-UHFFFAOYSA-N 1 1 355.404 3.497 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@@H+](CCO)[C@H]3CCc4ccccc43)o2)cc1 ZINC000173387452 496670416 /nfs/dbraw/zinc/67/04/16/496670416.db2.gz IHRXBPGZKXPQTQ-IBGZPJMESA-N 1 1 360.417 3.090 20 30 FGEDMO N#Cc1ccc(-c2nnc(C[N@H+](CCO)[C@H]3CCc4ccccc43)o2)cc1 ZINC000173387452 496670420 /nfs/dbraw/zinc/67/04/20/496670420.db2.gz IHRXBPGZKXPQTQ-IBGZPJMESA-N 1 1 360.417 3.090 20 30 FGEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC4(CCC4)C3)sc2C1 ZINC000154068737 496673515 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FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1cccs1 ZINC000188532005 496822611 /nfs/dbraw/zinc/82/26/11/496822611.db2.gz KYUSIADBDTWNJV-MAUKXSAKSA-N 1 1 355.463 3.138 20 30 FGEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000188619250 496853792 /nfs/dbraw/zinc/85/37/92/496853792.db2.gz DLZJHTFVGKBIGO-HXUWFJFHSA-N 1 1 369.415 3.459 20 30 FGEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000247471304 496865870 /nfs/dbraw/zinc/86/58/70/496865870.db2.gz JGVIACBCQFVXCT-PKOBYXMFSA-N 1 1 374.504 3.267 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191813097 496899045 /nfs/dbraw/zinc/89/90/45/496899045.db2.gz SQRZFBOITXFERO-DYVFJYSZSA-N 1 1 350.304 3.483 20 30 FGEDMO COc1cnccc1[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000188784844 496908082 /nfs/dbraw/zinc/90/80/82/496908082.db2.gz QHLYHEHHUHPNSY-INIZCTEOSA-N 1 1 350.466 3.277 20 30 FGEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000188782744 496908405 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ZINC000192169848 497021989 /nfs/dbraw/zinc/02/19/89/497021989.db2.gz KUJSTQIEVOLLCV-AWEZNQCLSA-N 1 1 351.903 3.414 20 30 FGEDMO C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CCS1 ZINC000192169848 497021995 /nfs/dbraw/zinc/02/19/95/497021995.db2.gz KUJSTQIEVOLLCV-AWEZNQCLSA-N 1 1 351.903 3.414 20 30 FGEDMO C=CCC[C@H](NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000580971776 505879972 /nfs/dbraw/zinc/87/99/72/505879972.db2.gz JEPWIKDHEIMYTR-BJLQDIEVSA-N 1 1 371.525 3.047 20 30 FGEDMO C[N@H+]1CCCN(c2ccc(-c3noc(C4(C#N)CCC4)n3)cc2Cl)CC1 ZINC000274240089 497049139 /nfs/dbraw/zinc/04/91/39/497049139.db2.gz WAVCZXKISYBGCK-UHFFFAOYSA-N 1 1 371.872 3.477 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3csc(Cl)n3)CC2)cc1 ZINC000274401972 497090438 /nfs/dbraw/zinc/09/04/38/497090438.db2.gz ARJOOVXLKFFZDS-UHFFFAOYSA-N 1 1 360.870 3.016 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3csc(Cl)n3)CC2)cc1 ZINC000274401972 497090442 /nfs/dbraw/zinc/09/04/42/497090442.db2.gz ARJOOVXLKFFZDS-UHFFFAOYSA-N 1 1 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CC[C@@]1(CO)CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000190226151 497406247 /nfs/dbraw/zinc/40/62/47/497406247.db2.gz JUXHHFGIMFWEOD-OAQYLSRUSA-N 1 1 352.482 3.448 20 30 FGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245449086 497413227 /nfs/dbraw/zinc/41/32/27/497413227.db2.gz NJKMHXZMIDAVKL-WMLDXEAASA-N 1 1 362.905 3.345 20 30 FGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193588310 497420656 /nfs/dbraw/zinc/42/06/56/497420656.db2.gz WRGADAJNKWXPMV-ROUUACIJSA-N 1 1 365.481 3.233 20 30 FGEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000275836394 497444554 /nfs/dbraw/zinc/44/45/54/497444554.db2.gz JDKNKAWHIMMPAA-BZUAXINKSA-N 1 1 361.511 3.255 20 30 FGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000245543413 497448284 /nfs/dbraw/zinc/44/82/84/497448284.db2.gz KQXCIIKUKKXQTI-GUYCJALGSA-N 1 1 350.304 3.483 20 30 FGEDMO CCOC[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000279478097 497450075 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FGEDMO Cc1ccccc1NC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000368900011 499344301 /nfs/dbraw/zinc/34/43/01/499344301.db2.gz BUSACEPBMGXGHI-UHFFFAOYSA-N 1 1 362.477 3.059 20 30 FGEDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)Nc3cc(C#N)ccc3C)CC2)on1 ZINC000368979987 499353062 /nfs/dbraw/zinc/35/30/62/499353062.db2.gz BIBDZJGCZSJNGY-UHFFFAOYSA-N 1 1 367.453 3.291 20 30 FGEDMO COC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000371785555 499365176 /nfs/dbraw/zinc/36/51/76/499365176.db2.gz ZJVHJDPFTCJTAR-SFHVURJKSA-N 1 1 350.422 3.338 20 30 FGEDMO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369204118 499377051 /nfs/dbraw/zinc/37/70/51/499377051.db2.gz FAYVVHCVKCZOPF-KSZLIROESA-N 1 1 354.498 3.117 20 30 FGEDMO COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000372090884 499398215 /nfs/dbraw/zinc/39/82/15/499398215.db2.gz SHPNUSXAHTUFKX-MOPGFXCFSA-N 1 1 366.465 3.257 20 30 FGEDMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000372336426 499422086 /nfs/dbraw/zinc/42/20/86/499422086.db2.gz GNODZAFBXYHPJO-QFUCXCTJSA-N 1 1 355.526 3.467 20 30 FGEDMO C=CCn1c(CCOc2ccccc2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000576388186 506146365 /nfs/dbraw/zinc/14/63/65/506146365.db2.gz YDCWNQYSLHVXQA-MSOLQXFVSA-N 1 1 369.513 3.005 20 30 FGEDMO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000372948423 499444364 /nfs/dbraw/zinc/44/43/64/499444364.db2.gz NHPKNYPFUKBIHW-OAHLLOKOSA-N 1 1 372.444 3.106 20 30 FGEDMO CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000373075059 499450048 /nfs/dbraw/zinc/45/00/48/499450048.db2.gz SCKQIJKJGABEMK-HNNXBMFYSA-N 1 1 360.506 3.451 20 30 FGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000373124161 499452555 /nfs/dbraw/zinc/45/25/55/499452555.db2.gz KLCIFJOQEWABKA-KDOFPFPSSA-N 1 1 350.422 3.286 20 30 FGEDMO C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000373124161 499452556 /nfs/dbraw/zinc/45/25/56/499452556.db2.gz KLCIFJOQEWABKA-KDOFPFPSSA-N 1 1 350.422 3.286 20 30 FGEDMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1cccs1 ZINC000373299241 499462221 /nfs/dbraw/zinc/46/22/21/499462221.db2.gz DMGLKUMCTAFXEM-DOTOQJQBSA-N 1 1 360.527 3.466 20 30 FGEDMO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000373336931 499464013 /nfs/dbraw/zinc/46/40/13/499464013.db2.gz JDXHAVROTWNDDS-NJDAHSKKSA-N 1 1 371.525 3.266 20 30 FGEDMO C=CCc1cc(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc(OC)c1O ZINC000373536014 499475489 /nfs/dbraw/zinc/47/54/89/499475489.db2.gz UOSNQGYBZUCVRT-JOCHJYFZSA-N 1 1 364.445 3.225 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 ZINC000378263035 499495922 /nfs/dbraw/zinc/49/59/22/499495922.db2.gz UGIPLDYQRIBDIH-GOSISDBHSA-N 1 1 365.437 3.352 20 30 FGEDMO CN(CCC#N)C(=O)CC[N@@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000378417842 499514584 /nfs/dbraw/zinc/51/45/84/499514584.db2.gz WNJQXHGILLBPOC-UHFFFAOYSA-N 1 1 362.905 3.003 20 30 FGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000375447501 499520344 /nfs/dbraw/zinc/52/03/44/499520344.db2.gz HXBGFTZIHWRRND-WELBPKCISA-N 1 1 355.482 3.291 20 30 FGEDMO C=CCCOCC[NH2+]Cc1c(Br)cncc1Br ZINC000394580025 499562012 /nfs/dbraw/zinc/56/20/12/499562012.db2.gz TTZXHBLPNIKKNM-UHFFFAOYSA-N 1 1 364.081 3.289 20 30 FGEDMO N#Cc1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000380608994 499543513 /nfs/dbraw/zinc/54/35/13/499543513.db2.gz DPYUSELLFTZIEU-MOPGFXCFSA-N 1 1 362.433 3.425 20 30 FGEDMO CC[C@](C)(C#N)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000375701210 499547032 /nfs/dbraw/zinc/54/70/32/499547032.db2.gz BFVCQFJUZDNKMN-OAQYLSRUSA-N 1 1 366.465 3.362 20 30 FGEDMO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000386490215 499549150 /nfs/dbraw/zinc/54/91/50/499549150.db2.gz YNJOPYNULFRJTF-UHFFFAOYSA-N 1 1 358.239 3.391 20 30 FGEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000386490215 499549151 /nfs/dbraw/zinc/54/91/51/499549151.db2.gz YNJOPYNULFRJTF-UHFFFAOYSA-N 1 1 358.239 3.391 20 30 FGEDMO C[C@H]1CN(c2ncc(Br)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000396376202 499563230 /nfs/dbraw/zinc/56/32/30/499563230.db2.gz GOUURKVEXIVSFC-AWEZNQCLSA-N 1 1 371.282 3.426 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000409445832 499596437 /nfs/dbraw/zinc/59/64/37/499596437.db2.gz SNHZHXUUENAUAE-FSSWDIPSSA-N 1 1 350.462 3.336 20 30 FGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000409445832 499596440 /nfs/dbraw/zinc/59/64/40/499596440.db2.gz SNHZHXUUENAUAE-FSSWDIPSSA-N 1 1 350.462 3.336 20 30 FGEDMO N#Cc1nc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C(F)(F)F ZINC000409664397 499612898 /nfs/dbraw/zinc/61/28/98/499612898.db2.gz XAYSKWMLAGCXNA-HNNXBMFYSA-N 1 1 360.383 3.328 20 30 FGEDMO N#CC1(NC(=O)C[NH+]2CCC(c3nc4cc(F)ccc4s3)CC2)CCC1 ZINC000377014728 499654250 /nfs/dbraw/zinc/65/42/50/499654250.db2.gz OLPCQOBPVJFYDS-UHFFFAOYSA-N 1 1 372.469 3.177 20 30 FGEDMO C[N@H+]1C[C@@H]2CN(C(=O)NCC(C)(C)CCC#N)C[C@H]2[C@H]1c1ccccc1 ZINC000377035463 499655762 /nfs/dbraw/zinc/65/57/62/499655762.db2.gz ZLTMEYMQEPXJKE-GUDVDZBRSA-N 1 1 354.498 3.261 20 30 FGEDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCc1cccc(C#N)c1 ZINC000377230856 499672490 /nfs/dbraw/zinc/67/24/90/499672490.db2.gz GJKZVPGTCFTUML-LJQANCHMSA-N 1 1 365.481 3.295 20 30 FGEDMO Cc1nc([C@H]2CCC[N@H+](Cc3cc(C#N)ccc3Br)C2)no1 ZINC000377290972 499677332 /nfs/dbraw/zinc/67/73/32/499677332.db2.gz KCYITRWWXBNIAW-ZDUSSCGKSA-N 1 1 361.243 3.392 20 30 FGEDMO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3Br)C2)no1 ZINC000377290972 499677333 /nfs/dbraw/zinc/67/73/33/499677333.db2.gz KCYITRWWXBNIAW-ZDUSSCGKSA-N 1 1 361.243 3.392 20 30 FGEDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000377715535 499724161 /nfs/dbraw/zinc/72/41/61/499724161.db2.gz CWENRKYFCRQRQP-SFHVURJKSA-N 1 1 365.481 3.371 20 30 FGEDMO C[C@@H](C#N)C[N@H+](CCC(=O)Nc1ccccc1Br)C1CC1 ZINC000411398507 499734553 /nfs/dbraw/zinc/73/45/53/499734553.db2.gz CGLTXRXMLINIDE-LBPRGKRZSA-N 1 1 350.260 3.402 20 30 FGEDMO C[C@@H](C#N)C[N@@H+](CCC(=O)Nc1ccccc1Br)C1CC1 ZINC000411398507 499734554 /nfs/dbraw/zinc/73/45/54/499734554.db2.gz CGLTXRXMLINIDE-LBPRGKRZSA-N 1 1 350.260 3.402 20 30 FGEDMO Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000414470113 499796089 /nfs/dbraw/zinc/79/60/89/499796089.db2.gz NSUFHIDJURZRBC-UHFFFAOYSA-N 1 1 371.506 3.185 20 30 FGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411995617 499811145 /nfs/dbraw/zinc/81/11/45/499811145.db2.gz DSBNKLQSLUOYCQ-QUCCMNQESA-N 1 1 354.494 3.429 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412035088 499815565 /nfs/dbraw/zinc/81/55/65/499815565.db2.gz FVJDXJJLPJTTLI-AWEZNQCLSA-N 1 1 360.502 3.072 20 30 FGEDMO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412035088 499815566 /nfs/dbraw/zinc/81/55/66/499815566.db2.gz FVJDXJJLPJTTLI-AWEZNQCLSA-N 1 1 360.502 3.072 20 30 FGEDMO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000582224188 506162621 /nfs/dbraw/zinc/16/26/21/506162621.db2.gz UJQRFROSPITBSE-NJYVYQBISA-N 1 1 371.525 3.322 20 30 FGEDMO C=CCc1cc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)cc(OC)c1O ZINC000573305275 506167166 /nfs/dbraw/zinc/16/71/66/506167166.db2.gz SDVCLIHQQIMIQY-SFHVURJKSA-N 1 1 358.482 3.106 20 30 FGEDMO N#CCCn1cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c(-c2ccccc2)n1 ZINC000421399667 500038303 /nfs/dbraw/zinc/03/83/03/500038303.db2.gz QMFZVWRRDXNNQX-GOSISDBHSA-N 1 1 352.482 3.448 20 30 FGEDMO COc1cccc([C@@H](C)[NH+]2CCN(c3ncc4c(c3C#N)CCC4)CC2)c1 ZINC000425234716 500051861 /nfs/dbraw/zinc/05/18/61/500051861.db2.gz ZJOXTPBTYBKVQI-MRXNPFEDSA-N 1 1 362.477 3.334 20 30 FGEDMO N#Cc1c2c(cnc1N1C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C1)CCC2 ZINC000425266034 500060568 /nfs/dbraw/zinc/06/05/68/500060568.db2.gz GRONBHKCMMYKHE-UXHICEINSA-N 1 1 358.489 3.400 20 30 FGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000429583201 500107253 /nfs/dbraw/zinc/10/72/53/500107253.db2.gz ABRCTSJUSDYGTH-WMLDXEAASA-N 1 1 352.400 3.294 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425454603 500111217 /nfs/dbraw/zinc/11/12/17/500111217.db2.gz BAAFWTAHVOPZPV-OXJNMPFZSA-N 1 1 365.518 3.017 20 30 FGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425454603 500111220 /nfs/dbraw/zinc/11/12/20/500111220.db2.gz BAAFWTAHVOPZPV-OXJNMPFZSA-N 1 1 365.518 3.017 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCCCOc1ccccc1F ZINC000425538099 500137264 /nfs/dbraw/zinc/13/72/64/500137264.db2.gz RIZHGUQFNQLZTH-MRXNPFEDSA-N 1 1 369.440 3.275 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCCCOc1ccccc1F ZINC000425538099 500137266 /nfs/dbraw/zinc/13/72/66/500137266.db2.gz RIZHGUQFNQLZTH-MRXNPFEDSA-N 1 1 369.440 3.275 20 30 FGEDMO COc1ccc(COC[C@@H](O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425539291 500138101 /nfs/dbraw/zinc/13/81/01/500138101.db2.gz TZCGWYXHUKOUKH-JXFKEZNVSA-N 1 1 354.450 3.137 20 30 FGEDMO C=CCC(C)(C)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000429860499 500157783 /nfs/dbraw/zinc/15/77/83/500157783.db2.gz TUAVEWIBBWDFID-UHFFFAOYSA-N 1 1 357.542 3.303 20 30 FGEDMO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(C#N)s1)c1ccccc1Cl ZINC000422143474 500219918 /nfs/dbraw/zinc/21/99/18/500219918.db2.gz PTPOXHZQMAQSLE-INIZCTEOSA-N 1 1 362.886 3.375 20 30 FGEDMO CC(C)C[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000426133552 500239757 /nfs/dbraw/zinc/23/97/57/500239757.db2.gz LHUDHOQBDRAOHA-HNNXBMFYSA-N 1 1 364.877 3.080 20 30 FGEDMO N#CCCC[C@H](NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1ccccc1 ZINC000418206765 500249179 /nfs/dbraw/zinc/24/91/79/500249179.db2.gz ATGHSKGRVPPTGM-VQTJNVASSA-N 1 1 363.465 3.173 20 30 FGEDMO C=CCOc1ccccc1C[NH2+]C1CCN(c2cc(C(=O)[O-])cc[nH+]2)CC1 ZINC000426671736 500304811 /nfs/dbraw/zinc/30/48/11/500304811.db2.gz XLICBACZFTXMHG-UHFFFAOYSA-N 1 1 367.449 3.103 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000427674935 500419772 /nfs/dbraw/zinc/41/97/72/500419772.db2.gz SYQHIKZHEJKRHH-FCHUYYIVSA-N 1 1 367.489 3.098 20 30 FGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000427674935 500419774 /nfs/dbraw/zinc/41/97/74/500419774.db2.gz SYQHIKZHEJKRHH-FCHUYYIVSA-N 1 1 367.489 3.098 20 30 FGEDMO Cc1c(C#N)cccc1NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000431936450 500445502 /nfs/dbraw/zinc/44/55/02/500445502.db2.gz IJYWZIXFZKQLKW-UHFFFAOYSA-N 1 1 364.449 3.021 20 30 FGEDMO N#Cc1cnc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c(Cl)c1 ZINC000427926647 500446022 /nfs/dbraw/zinc/44/60/22/500446022.db2.gz XWAJQASRKJUERI-HNNXBMFYSA-N 1 1 358.829 3.157 20 30 FGEDMO C=CC[N@H+](Cc1oc(CC)nc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000428245761 500486746 /nfs/dbraw/zinc/48/67/46/500486746.db2.gz GJUGZFLGUWIDRD-OAHLLOKOSA-N 1 1 352.442 3.270 20 30 FGEDMO C[C@@]1(CNC(=O)CNc2cccc(C#N)c2)CCC[N@H+]1Cc1ccccc1 ZINC000428324097 500495991 /nfs/dbraw/zinc/49/59/91/500495991.db2.gz CNQCYPSIJMHJBF-QFIPXVFZSA-N 1 1 362.477 3.141 20 30 FGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccc(C#N)s1 ZINC000420794654 500503358 /nfs/dbraw/zinc/50/33/58/500503358.db2.gz CWUSPKVYHOIDFW-HNAYVOBHSA-N 1 1 368.506 3.330 20 30 FGEDMO C[N@@H+](Cc1cccc(F)c1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000428388943 500504180 /nfs/dbraw/zinc/50/41/80/500504180.db2.gz OOQSRHRWMKEZPU-UHFFFAOYSA-N 1 1 351.425 3.434 20 30 FGEDMO C=CCn1cc(CNc2[nH+]cnc3c2c(C)c(C)n3Cc2ccco2)nn1 ZINC000424538114 500514170 /nfs/dbraw/zinc/51/41/70/500514170.db2.gz QHVMDBVSLXIBTN-UHFFFAOYSA-N 1 1 363.425 3.079 20 30 FGEDMO C=CCn1c(CCCc2cccs2)nnc1N1CCC[N@H+](CC)CC1 ZINC000582388746 506200460 /nfs/dbraw/zinc/20/04/60/506200460.db2.gz AMIQAJPBXLIOME-UHFFFAOYSA-N 1 1 359.543 3.233 20 30 FGEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)C[C@H]2CCC[N@H+]2C)c1C#N ZINC000421000739 500551330 /nfs/dbraw/zinc/55/13/30/500551330.db2.gz KFZBSEWORBXIDK-GOSISDBHSA-N 1 1 371.529 3.056 20 30 FGEDMO COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428777346 500556403 /nfs/dbraw/zinc/55/64/03/500556403.db2.gz FAAFEEZJRNTAPT-INIZCTEOSA-N 1 1 371.824 3.047 20 30 FGEDMO COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000428777346 500556406 /nfs/dbraw/zinc/55/64/06/500556406.db2.gz FAAFEEZJRNTAPT-INIZCTEOSA-N 1 1 371.824 3.047 20 30 FGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CCO)CC2)c1C ZINC000421023090 500557155 /nfs/dbraw/zinc/55/71/55/500557155.db2.gz VWCHOFBEZYZSDR-LJQANCHMSA-N 1 1 357.498 3.035 20 30 FGEDMO C=CCC1(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000424776336 500561106 /nfs/dbraw/zinc/56/11/06/500561106.db2.gz CCZMQJBIPYMKBV-UYAOXDASSA-N 1 1 356.510 3.386 20 30 FGEDMO N#Cc1cccc(OCCC[N@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000428862823 500567658 /nfs/dbraw/zinc/56/76/58/500567658.db2.gz VVYAXUWQKNBTLX-UHFFFAOYSA-N 1 1 367.424 3.230 20 30 FGEDMO C[C@@H]1C[N@@H+](CCCNc2c(C#N)cnc3ccc(Cl)cc32)CCCO1 ZINC000432856018 500578642 /nfs/dbraw/zinc/57/86/42/500578642.db2.gz YHWYKEJKBJGGMA-CQSZACIVSA-N 1 1 358.873 3.095 20 30 FGEDMO Cc1cc(F)cc2c1ncc(C#N)c2N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000432938515 500593693 /nfs/dbraw/zinc/59/36/93/500593693.db2.gz LLOUNPUZZAXUIZ-UHFFFAOYSA-N 1 1 356.445 3.101 20 30 FGEDMO Cc1cc(F)cc2c1ncc(C#N)c2N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000432938515 500593695 /nfs/dbraw/zinc/59/36/95/500593695.db2.gz LLOUNPUZZAXUIZ-UHFFFAOYSA-N 1 1 356.445 3.101 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433045048 500612880 /nfs/dbraw/zinc/61/28/80/500612880.db2.gz CWSMATMENSGJFU-LJQANCHMSA-N 1 1 354.475 3.212 20 30 FGEDMO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433045048 500612881 /nfs/dbraw/zinc/61/28/81/500612881.db2.gz CWSMATMENSGJFU-LJQANCHMSA-N 1 1 354.475 3.212 20 30 FGEDMO COC(=O)c1cc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)oc1C ZINC000433187151 500641783 /nfs/dbraw/zinc/64/17/83/500641783.db2.gz NIPRQEPJACHJHO-CQSZACIVSA-N 1 1 356.422 3.456 20 30 FGEDMO C[C@@H]1OCC[C@]1(O)C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000447927059 500690967 /nfs/dbraw/zinc/69/09/67/500690967.db2.gz ODLYHKJADIXQJL-AVRDEDQJSA-N 1 1 353.437 3.219 20 30 FGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000437999545 500726761 /nfs/dbraw/zinc/72/67/61/500726761.db2.gz OQCOEQFUZHONBU-MMKMLUHNSA-N 1 1 371.525 3.272 20 30 FGEDMO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000573553192 506211096 /nfs/dbraw/zinc/21/10/96/506211096.db2.gz XYMYRWBNHMORSB-FCEWJHQRSA-N 1 1 367.497 3.059 20 30 FGEDMO C[C@H]1C[C@]1(C#N)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000448559139 500772116 /nfs/dbraw/zinc/77/21/16/500772116.db2.gz XTNVUEKVRVOUBE-FDDCHVKYSA-N 1 1 359.473 3.470 20 30 FGEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC34CCSCC4)CC2)cc1 ZINC000448621092 500787476 /nfs/dbraw/zinc/78/74/76/500787476.db2.gz HUXATQBRJCLKIF-IBGZPJMESA-N 1 1 369.534 3.126 20 30 FGEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC34CCSCC4)CC2)cc1 ZINC000448621092 500787483 /nfs/dbraw/zinc/78/74/83/500787483.db2.gz HUXATQBRJCLKIF-IBGZPJMESA-N 1 1 369.534 3.126 20 30 FGEDMO Cc1cc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)ccc1C#N ZINC000444001261 500790130 /nfs/dbraw/zinc/79/01/30/500790130.db2.gz XSPIJIWHLJPTGI-HXUWFJFHSA-N 1 1 362.477 3.176 20 30 FGEDMO CCOc1ccnc(N2CCC[N@H+](CC#Cc3cccc(Cl)c3)CC2)n1 ZINC000438627157 500809274 /nfs/dbraw/zinc/80/92/74/500809274.db2.gz QLESDXAFUKXNHN-UHFFFAOYSA-N 1 1 370.884 3.093 20 30 FGEDMO CCOc1ccnc(N2CCC[N@@H+](CC#Cc3cccc(Cl)c3)CC2)n1 ZINC000438627157 500809275 /nfs/dbraw/zinc/80/92/75/500809275.db2.gz QLESDXAFUKXNHN-UHFFFAOYSA-N 1 1 370.884 3.093 20 30 FGEDMO N#CCCCCCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000588156427 506218112 /nfs/dbraw/zinc/21/81/12/506218112.db2.gz IGFPWAGKEHUBSV-UHFFFAOYSA-N 1 1 368.481 3.386 20 30 FGEDMO C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444525230 500855631 /nfs/dbraw/zinc/85/56/31/500855631.db2.gz LAYQKDNJOXETRA-OWCLPIDISA-N 1 1 374.916 3.122 20 30 FGEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3c(OC)cc(OC)cc32)C1 ZINC000439158218 500864728 /nfs/dbraw/zinc/86/47/28/500864728.db2.gz HKXHOJVRDZYASE-HNNXBMFYSA-N 1 1 368.481 3.292 20 30 FGEDMO CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000439472850 500901734 /nfs/dbraw/zinc/90/17/34/500901734.db2.gz SUVBOAROBHIHAO-GOSISDBHSA-N 1 1 350.846 3.003 20 30 FGEDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000439472850 500901735 /nfs/dbraw/zinc/90/17/35/500901735.db2.gz SUVBOAROBHIHAO-GOSISDBHSA-N 1 1 350.846 3.003 20 30 FGEDMO CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000439472851 500902017 /nfs/dbraw/zinc/90/20/17/500902017.db2.gz SUVBOAROBHIHAO-SFHVURJKSA-N 1 1 350.846 3.003 20 30 FGEDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000439472851 500902019 /nfs/dbraw/zinc/90/20/19/500902019.db2.gz SUVBOAROBHIHAO-SFHVURJKSA-N 1 1 350.846 3.003 20 30 FGEDMO C=CCCC[N@H+](C)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC ZINC000449030457 500903908 /nfs/dbraw/zinc/90/39/08/500903908.db2.gz RXHWNEIAFXSHRB-ZDUSSCGKSA-N 1 1 369.303 3.360 20 30 FGEDMO C[N@@H+](CCCOCc1ccccc1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000439481692 500904001 /nfs/dbraw/zinc/90/40/01/500904001.db2.gz LLAGGWDBJDHEPR-SFHVURJKSA-N 1 1 369.490 3.264 20 30 FGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C1(CC)CC ZINC000434982814 500919268 /nfs/dbraw/zinc/91/92/68/500919268.db2.gz NIQAOXAZWXNZDL-RBUKOAKNSA-N 1 1 357.498 3.090 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)OC)C2)cc1 ZINC000449346927 500983599 /nfs/dbraw/zinc/98/35/99/500983599.db2.gz FIDFATRBKZBDHD-LEWJYISDSA-N 1 1 367.445 3.346 20 30 FGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Cl ZINC000449432940 501001780 /nfs/dbraw/zinc/00/17/80/501001780.db2.gz JYJCNEANRQQMRA-JZXOWHBKSA-N 1 1 351.874 3.267 20 30 FGEDMO C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[N@H+]1C1CC1 ZINC000440917995 501062915 /nfs/dbraw/zinc/06/29/15/501062915.db2.gz YLCJHOHHKPQZFC-HOCLYGCPSA-N 1 1 365.433 3.085 20 30 FGEDMO N#Cc1cccc(C[N@@H+](CCCOc2ccccc2)C2CCOCC2)n1 ZINC000602615558 506233487 /nfs/dbraw/zinc/23/34/87/506233487.db2.gz FRBLLFAIIWGLQN-UHFFFAOYSA-N 1 1 351.450 3.403 20 30 FGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1[N+](=O)[O-] ZINC000450360537 501100332 /nfs/dbraw/zinc/10/03/32/501100332.db2.gz LELHPEVTAFZZND-QGZVFWFLSA-N 1 1 350.422 3.425 20 30 FGEDMO N#Cc1ccnc(N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000450402650 501112858 /nfs/dbraw/zinc/11/28/58/501112858.db2.gz ADTUZTOKHZOUIG-UHFFFAOYSA-N 1 1 362.264 3.020 20 30 FGEDMO Cc1c(C#N)c(N2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)nc2ccccc12 ZINC000450415591 501116171 /nfs/dbraw/zinc/11/61/71/501116171.db2.gz CQQHAGMQHBFHPJ-MRXNPFEDSA-N 1 1 363.509 3.020 20 30 FGEDMO Cc1c(C#N)c(N2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)nc2ccccc12 ZINC000450415591 501116173 /nfs/dbraw/zinc/11/61/73/501116173.db2.gz CQQHAGMQHBFHPJ-MRXNPFEDSA-N 1 1 363.509 3.020 20 30 FGEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000441321299 501119985 /nfs/dbraw/zinc/11/99/85/501119985.db2.gz CAKGKIZGODTVHK-MGPUTAFESA-N 1 1 351.425 3.397 20 30 FGEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000441321299 501119987 /nfs/dbraw/zinc/11/99/87/501119987.db2.gz CAKGKIZGODTVHK-MGPUTAFESA-N 1 1 351.425 3.397 20 30 FGEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000450450045 501124563 /nfs/dbraw/zinc/12/45/63/501124563.db2.gz BUULHJQDLLHXCY-SFHVURJKSA-N 1 1 351.410 3.184 20 30 FGEDMO Cc1[nH+]ccn1CCCCNC(=O)c1cccc(C#N)c1Br ZINC000449933299 501129944 /nfs/dbraw/zinc/12/99/44/501129944.db2.gz AGLOSEWIXINYJN-UHFFFAOYSA-N 1 1 361.243 3.036 20 30 FGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000436505002 501142520 /nfs/dbraw/zinc/14/25/20/501142520.db2.gz MQYSBNXHTVXAGK-NRFANRHFSA-N 1 1 362.477 3.477 20 30 FGEDMO CC1CCC([N@H+](CC(=O)NCc2cccc(C#N)c2)C[C@H]2CCCO2)CC1 ZINC000441464272 501143719 /nfs/dbraw/zinc/14/37/19/501143719.db2.gz NTEGENKCIBVNAA-FBPXKMNZSA-N 1 1 369.509 3.234 20 30 FGEDMO C=CCC1(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000450048206 501164302 /nfs/dbraw/zinc/16/43/02/501164302.db2.gz BAQREWXRCNUQBM-JOCHJYFZSA-N 1 1 356.510 3.266 20 30 FGEDMO C[C@H]1C[C@@]1(C#N)C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000450200781 501209073 /nfs/dbraw/zinc/20/90/73/501209073.db2.gz JXRDTBOAENRHJA-HJPURHCSSA-N 1 1 357.457 3.450 20 30 FGEDMO C[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000450814551 501212873 /nfs/dbraw/zinc/21/28/73/501212873.db2.gz WAYGVAZYYHYUJW-INIZCTEOSA-N 1 1 350.422 3.425 20 30 FGEDMO COCC[N@@H+](C)CCCC1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000450324068 501233499 /nfs/dbraw/zinc/23/34/99/501233499.db2.gz MGHWPVYYKRHHIC-OAQYLSRUSA-N 1 1 361.530 3.057 20 30 FGEDMO C[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+](C2CC2)C1 ZINC000451077390 501243743 /nfs/dbraw/zinc/24/37/43/501243743.db2.gz BBIHWCZIBMPGIU-HNNXBMFYSA-N 1 1 352.400 3.353 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)CC(C)(C)CO)c1C#N ZINC000451252114 501254941 /nfs/dbraw/zinc/25/49/41/501254941.db2.gz WWCKFYSTPHOPSY-UHFFFAOYSA-N 1 1 374.529 3.371 20 30 FGEDMO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CC(C)(C)CO)c1C#N ZINC000451252114 501254942 /nfs/dbraw/zinc/25/49/42/501254942.db2.gz WWCKFYSTPHOPSY-UHFFFAOYSA-N 1 1 374.529 3.371 20 30 FGEDMO CS[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000451320167 501264330 /nfs/dbraw/zinc/26/43/30/501264330.db2.gz KGXJJEYMKBZTBR-OAHLLOKOSA-N 1 1 351.903 3.332 20 30 FGEDMO CS[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000451320167 501264331 /nfs/dbraw/zinc/26/43/31/501264331.db2.gz KGXJJEYMKBZTBR-OAHLLOKOSA-N 1 1 351.903 3.332 20 30 FGEDMO C[C@@H](c1cccc(NCc2c(C#N)cccc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000453084252 501265035 /nfs/dbraw/zinc/26/50/35/501265035.db2.gz IVRQVZDZPADJIO-HNNXBMFYSA-N 1 1 366.421 3.472 20 30 FGEDMO C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000457604183 501266986 /nfs/dbraw/zinc/26/69/86/501266986.db2.gz 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3.324 20 30 FGEDMO C=CCn1c(C2CCC2)nnc1N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000514634788 503153388 /nfs/dbraw/zinc/15/33/88/503153388.db2.gz KFQVZLNRCJCJIG-QGZVFWFLSA-N 1 1 351.498 3.442 20 30 FGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000506764698 503167828 /nfs/dbraw/zinc/16/78/28/503167828.db2.gz BHTSGENOWGOPOQ-OWCLPIDISA-N 1 1 359.489 3.458 20 30 FGEDMO C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H](C#N)CCC#N ZINC000602927835 506355940 /nfs/dbraw/zinc/35/59/40/506355940.db2.gz ZBRQQHFPIIBLIB-IUODEOHRSA-N 1 1 356.253 3.108 20 30 FGEDMO C[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C[C@@H](C#N)CCC#N ZINC000602927835 506355944 /nfs/dbraw/zinc/35/59/44/506355944.db2.gz ZBRQQHFPIIBLIB-IUODEOHRSA-N 1 1 356.253 3.108 20 30 FGEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510749164 503185414 /nfs/dbraw/zinc/18/54/14/503185414.db2.gz FLRWETTUQUCILR-IAGOWNOFSA-N 1 1 374.529 3.453 20 30 FGEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510749164 503185416 /nfs/dbraw/zinc/18/54/16/503185416.db2.gz FLRWETTUQUCILR-IAGOWNOFSA-N 1 1 374.529 3.453 20 30 FGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510874768 503208458 /nfs/dbraw/zinc/20/84/58/503208458.db2.gz POSXQIVBTHMIPW-HIFRSBDPSA-N 1 1 353.388 3.400 20 30 FGEDMO Cc1ccc2nc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)cc(=O)n2c1 ZINC000502548044 503222499 /nfs/dbraw/zinc/22/24/99/503222499.db2.gz HDYAJXKMQQSUOR-UHFFFAOYSA-N 1 1 356.429 3.164 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549471 503223141 /nfs/dbraw/zinc/22/31/41/503223141.db2.gz ZDIHRPCNDKBYJE-KRWDZBQOSA-N 1 1 362.477 3.379 20 30 FGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502549471 503223146 /nfs/dbraw/zinc/22/31/46/503223146.db2.gz ZDIHRPCNDKBYJE-KRWDZBQOSA-N 1 1 362.477 3.379 20 30 FGEDMO CCCC[N@@H+](C)CCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000491050944 503266158 /nfs/dbraw/zinc/26/61/58/503266158.db2.gz IHNSXLINCPURTM-UHFFFAOYSA-N 1 1 372.391 3.353 20 30 FGEDMO Cc1cc(N[C@@H]2CO[C@H](C3CC3)C2)c(C#N)c(N[C@@H]2CO[C@H](C3CC3)C2)[nH+]1 ZINC000599178532 506361259 /nfs/dbraw/zinc/36/12/59/506361259.db2.gz AIFDPCVKYBTSEP-FVCZOJIISA-N 1 1 368.481 3.221 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](OC(C)C)C2)c1 ZINC000593053343 506362287 /nfs/dbraw/zinc/36/22/87/506362287.db2.gz UABZTCBLWRUFRY-HXUWFJFHSA-N 1 1 357.498 3.440 20 30 FGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](OC(C)C)C2)c1 ZINC000593053343 506362292 /nfs/dbraw/zinc/36/22/92/506362292.db2.gz UABZTCBLWRUFRY-HXUWFJFHSA-N 1 1 357.498 3.440 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@H]1C ZINC000498931154 503297194 /nfs/dbraw/zinc/29/71/94/503297194.db2.gz YGOPMJWMWKLJES-BBWFWOEESA-N 1 1 374.554 3.291 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000507516004 503313336 /nfs/dbraw/zinc/31/33/36/503313336.db2.gz WTRKFIIJISVKAM-NHCUHLMSSA-N 1 1 356.510 3.435 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000491831620 503332647 /nfs/dbraw/zinc/33/26/47/503332647.db2.gz JQUXHMBKFKDXAJ-RTBURBONSA-N 1 1 362.901 3.356 20 30 FGEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000491831620 503332650 /nfs/dbraw/zinc/33/26/50/503332650.db2.gz JQUXHMBKFKDXAJ-RTBURBONSA-N 1 1 362.901 3.356 20 30 FGEDMO O=C(NCC#Cc1cccc(F)c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000511534694 503338922 /nfs/dbraw/zinc/33/89/22/503338922.db2.gz ZXSLDSVQFSDTSW-NRFANRHFSA-N 1 1 365.452 3.141 20 30 FGEDMO N#CCCCOc1cccc(C[NH+]2CCN(Cc3cscn3)CC2)c1 ZINC000511537351 503339264 /nfs/dbraw/zinc/33/92/64/503339264.db2.gz NPAMTPSMCZIHIM-UHFFFAOYSA-N 1 1 356.495 3.143 20 30 FGEDMO CC(C)CN(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000511616594 503355609 /nfs/dbraw/zinc/35/56/09/503355609.db2.gz NWKCOIZVKHBWLA-UHFFFAOYSA-N 1 1 370.541 3.005 20 30 FGEDMO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000507772395 503363503 /nfs/dbraw/zinc/36/35/03/503363503.db2.gz QSYDWZVCJFCPGY-LZJOCLMNSA-N 1 1 369.509 3.342 20 30 FGEDMO N#Cc1cccc(F)c1CC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000511717142 503375788 /nfs/dbraw/zinc/37/57/88/503375788.db2.gz YFFKHNSGSHTUDJ-GOSISDBHSA-N 1 1 357.473 3.401 20 30 FGEDMO Cc1ccc(CNC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000507858520 503381249 /nfs/dbraw/zinc/38/12/49/503381249.db2.gz DRYNVFMGXKZWAE-UHFFFAOYSA-N 1 1 363.461 3.026 20 30 FGEDMO N#Cc1ccc(CSCC(=O)N2CCC[N@@H+](CC3CCC3)CC2)cc1 ZINC000508014976 503413622 /nfs/dbraw/zinc/41/36/22/503413622.db2.gz UZKYYQAKFKBQQF-UHFFFAOYSA-N 1 1 357.523 3.126 20 30 FGEDMO Cc1cc(NC(=O)c2ccc(C#N)[nH]2)n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000493475559 503429054 /nfs/dbraw/zinc/42/90/54/503429054.db2.gz AURFAYMXQMPNBY-GOSISDBHSA-N 1 1 374.448 3.091 20 30 FGEDMO CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C ZINC000499563627 503432510 /nfs/dbraw/zinc/43/25/10/503432510.db2.gz QMEDMWHBIIXWIF-NEPJUHHUSA-N 1 1 352.385 3.106 20 30 FGEDMO C[N@@H+](CCC(=O)Nc1ccccc1Br)[C@@H]1CCC[C@H]1C#N ZINC000602979747 506372103 /nfs/dbraw/zinc/37/21/03/506372103.db2.gz HTDJVJQIAIFIJJ-SWLSCSKDSA-N 1 1 350.260 3.402 20 30 FGEDMO OCC[N@H+](CC#Cc1ccc(F)cc1)Cc1cc(Br)cs1 ZINC000494284342 503519681 /nfs/dbraw/zinc/51/96/81/503519681.db2.gz DZOIHEKIKYAUHY-UHFFFAOYSA-N 1 1 368.271 3.496 20 30 FGEDMO OCC[N@@H+](CC#Cc1ccc(F)cc1)Cc1cc(Br)cs1 ZINC000494284342 503519686 /nfs/dbraw/zinc/51/96/86/503519686.db2.gz DZOIHEKIKYAUHY-UHFFFAOYSA-N 1 1 368.271 3.496 20 30 FGEDMO C=CCSCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000508564366 503520816 /nfs/dbraw/zinc/52/08/16/503520816.db2.gz OYPBSROXCOUUDU-INIZCTEOSA-N 1 1 354.466 3.179 20 30 FGEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000516606952 503548632 /nfs/dbraw/zinc/54/86/32/503548632.db2.gz XOBNIDQNDBBVSR-LIRRHRJNSA-N 1 1 357.479 3.430 20 30 FGEDMO C=CCCc1ccccc1NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000504290140 503549897 /nfs/dbraw/zinc/54/98/97/503549897.db2.gz QSOFSCFNZUUMNT-OALUTQOASA-N 1 1 369.509 3.077 20 30 FGEDMO COc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(C)c1OC ZINC000516685473 503568435 /nfs/dbraw/zinc/56/84/35/503568435.db2.gz VJFCIICRCHFYKB-UHFFFAOYSA-N 1 1 351.450 3.206 20 30 FGEDMO C=CCn1c(-c2ccccc2F)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000508841041 503574550 /nfs/dbraw/zinc/57/45/50/503574550.db2.gz OEDVVMMBWTZXGA-UHFFFAOYSA-N 1 1 367.428 3.185 20 30 FGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C#N)c1ccccc1F ZINC000500250205 503588773 /nfs/dbraw/zinc/58/87/73/503588773.db2.gz CLYDWCZCDXLVBN-ZTNFWEORSA-N 1 1 351.425 3.275 20 30 FGEDMO C=C[C@H]1CCCCN1C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000494669573 503588899 /nfs/dbraw/zinc/58/88/99/503588899.db2.gz CEWJSHLNOGCUAL-NRFANRHFSA-N 1 1 370.541 3.074 20 30 FGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1Cc1ccc(OC)cc1 ZINC000593080055 506380767 /nfs/dbraw/zinc/38/07/67/506380767.db2.gz DAOGCHFWKQIQAE-HKUYNNGSSA-N 1 1 357.498 3.100 20 30 FGEDMO C=CCN(C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000494700823 503595376 /nfs/dbraw/zinc/59/53/76/503595376.db2.gz XMKAXZQTHWADPZ-UHFFFAOYSA-N 1 1 363.505 3.038 20 30 FGEDMO C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000508920204 503600318 /nfs/dbraw/zinc/60/03/18/503600318.db2.gz IYCLYEAXODHTHE-UHFFFAOYSA-N 1 1 356.518 3.408 20 30 FGEDMO C=C(CNC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000512665893 503606815 /nfs/dbraw/zinc/60/68/15/503606815.db2.gz HVNLGYBEUMKPHD-UHFFFAOYSA-N 1 1 355.507 3.331 20 30 FGEDMO C[N@H+]1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C(C)(C)C1 ZINC000500479099 503632720 /nfs/dbraw/zinc/63/27/20/503632720.db2.gz FGANWCIVQRHKKK-UHFFFAOYSA-N 1 1 363.461 3.303 20 30 FGEDMO CC(C)(C#N)CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000512907637 503652554 /nfs/dbraw/zinc/65/25/54/503652554.db2.gz SNVXDPZCMTVVDN-OAQYLSRUSA-N 1 1 354.498 3.234 20 30 FGEDMO CCN(C(=O)COc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546184288 503662809 /nfs/dbraw/zinc/66/28/09/503662809.db2.gz KBIZCNSSVLERLR-FQEVSTJZSA-N 1 1 363.461 3.060 20 30 FGEDMO Cc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(C)C)ncc1C#N ZINC000529701727 503665529 /nfs/dbraw/zinc/66/55/29/503665529.db2.gz SERGYRYDSPNJFN-OAQYLSRUSA-N 1 1 362.477 3.244 20 30 FGEDMO Cc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(C)C)ncc1C#N ZINC000529701727 503665534 /nfs/dbraw/zinc/66/55/34/503665534.db2.gz SERGYRYDSPNJFN-OAQYLSRUSA-N 1 1 362.477 3.244 20 30 FGEDMO CC1(C)CCc2cc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)ccc2O1 ZINC000546258976 503689471 /nfs/dbraw/zinc/68/94/71/503689471.db2.gz JFLVBNMABUPSPM-UHFFFAOYSA-N 1 1 362.477 3.379 20 30 FGEDMO CC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495201772 503698513 /nfs/dbraw/zinc/69/85/13/503698513.db2.gz LVKMWUVKCMOJNU-ORAYPTAESA-N 1 1 361.511 3.062 20 30 FGEDMO CC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000495201772 503698520 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